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Sample records for alteration-transport coupling application

  1. Coupled nanopillar waveguides: optical properties and applications

    DEFF Research Database (Denmark)

    Chigrin, Dmitry N.; Zhukovsky, Sergei V.; Lavrinenko, Andrei

    2007-01-01

    , while guided modes dispersion is strongly affected by the waveguide structure. We present a systematic analysis of the optical properties of coupled nanopillar waveguides and discuss their possible applications for integrated optics. (C) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim......In this paper we review basic properties of coupled periodic and aperiodic nanopillar waveguides. A coupled nanopillar waveguide consists of several rows of periodically or aperiodically placed dielectric rods (pillars). In such a waveguide, light confinement is due to the total internal reflection...

  2. SIMULATE-3 K coupled code applications

    Energy Technology Data Exchange (ETDEWEB)

    Joensson, Christian [Studsvik Scandpower AB, Vaesteraas (Sweden); Grandi, Gerardo; Judd, Jerry [Studsvik Scandpower Inc., Idaho Falls, ID (United States)

    2017-07-15

    This paper describes the coupled code system TRACE/SIMULATE-3 K/VIPRE and the application of this code system to the OECD PWR Main Steam Line Break. A short description is given for the application of the coupled system to analyze DNBR and the flexibility the system creates for the user. This includes the possibility to compare and evaluate the result with the TRACE/SIMULATE-3K (S3K) coupled code, the S3K standalone code (core calculation) as well as performing single-channel calculations with S3K and VIPRE. This is the typical separate-effect-analyses required for advanced calculations in order to develop methodologies to be used for safety analyses in general. The models and methods of the code systems are presented. The outline represents the analysis approach starting with the coupled code system, reactor and core model calculation (TRACE/S3K). This is followed by a more detailed core evaluation (S3K standalone) and finally a very detailed thermal-hydraulic investigation of the hot pin condition (VIPRE).

  3. Vinyldisiloxanes: their synthesis, cross coupling and applications.

    Science.gov (United States)

    Sore, Hannah F; Boehner, Christine M; Laraia, Luca; Logoteta, Patrizia; Prestinari, Cora; Scott, Matthew; Williams, Katharine; Galloway, Warren R J D; Spring, David R

    2011-01-21

    During the studies towards the development of pentafluorophenyldimethylsilanes as a novel organosilicon cross coupling reagent it was revealed that the active silanolate and the corresponding disiloxane formed rapidly under basic conditions. The discovery that disiloxanes are in equilibrium with the silanolate led to the use of disiloxanes as cross coupling partners under fluoride free conditions. Our previous report focused on the synthesis and base induced cross coupling of aryl substituted vinyldisiloxanes with aryl halides; good yields and selectivities were achieved. As a continuation of our research, studies into the factors which influence the successful outcome of the cross coupling reaction with both alkyl and aryl substituted vinyldisiloxanes were examined and a proposed mechanism discussed. Further investigation into expanding the breadth and diversity of substituted vinyldisiloxanes in cross coupling was explored and applied to the synthesis of unsymmetrical trans-stilbenes and cyclic structures containing the trans-alkene architecture.

  4. Supersymmetric higher derivative couplings and their applications

    NARCIS (Netherlands)

    Lodato, I.

    2014-01-01

    After an elementary introduction on black hole physics, supersymmetry and effective theories, which motivates the importance of higher derivative couplings in supergravity, we give an exhaustive treatment of the covariant phase space formalism with many examples explicitly worked out. This sets the

  5. Application of coupled codes for safety analysis and licensing issues

    International Nuclear Information System (INIS)

    Langenbuch, S.; Velkov, K.

    2006-01-01

    An overview is given on the development and the advantages of coupled codes which integrate 3D neutron kinetics into thermal-hydraulic system codes. The work performed within GRS by coupling the thermal-hydraulic system code ATHLET and the 3D neutronics code QUABOX/CUBBOX is described as an example. The application of the coupled codes as best-estimate simulation tools for safety analysis is discussed. Some examples from German licensing practices are given which demonstrate how the improved analytical methods of coupled codes have contributed to solve licensing issues related to optimized and more economical use of fuel. (authors)

  6. Development and application of soil coupled heat pump

    Science.gov (United States)

    Liu, Lu

    2017-05-01

    Soil coupled heat pump technology is a new clean heating mode, is the world's most energy efficient heating one of the ways. And because of the use of renewable geothermal resources with high heating performance so more and more people's attention. Although the use of soil-coupled heat pumps has been in use for more than 50 years (the first application in the United States), the market penetration of this technology is still in its infancy. This paper will focus on the development, characteristics and application of the coupled heat pump.

  7. Modular coupling of transport and chemistry: theory and model applications

    International Nuclear Information System (INIS)

    Pfingsten, W.

    1994-06-01

    For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. (For full text of the abstract see 25:072321)

  8. Initial Coupling of the RELAP-7 and PRONGHORN Applications

    Energy Technology Data Exchange (ETDEWEB)

    J. Ortensi; D. Andrs; A.A. Bingham; R.C. Martineau; J.W. Peterson

    2012-10-01

    Modern nuclear reactor safety codes require the ability to solve detailed coupled neutronic- thermal fluids problems. For larger cores, this implies fully coupled higher dimensionality spatial dynamics with appropriate feedback models that can provide enough resolution to accurately compute core heat generation and removal during steady and unsteady conditions. The reactor analysis code PRONGHORN is being coupled to RELAP-7 as a first step to extend RELAP’s current capabilities. This report details the mathematical models, the type of coupling, and the testing results from the integrated system. RELAP-7 is a MOOSE-based application that solves the continuity, momentum, and energy equations in 1-D for a compressible fluid. The pipe and joint capabilities enable it to model parts of the power conversion unit. The PRONGHORN application, also developed on the MOOSE infrastructure, solves the coupled equations that define the neutron diffusion, fluid flow, and heat transfer in a full core model. The two systems are loosely coupled to simplify the transition towards a more complex infrastructure. The integration is tested on a simplified version of the OECD/NEA MHTGR-350 Coupled Neutronics-Thermal Fluids benchmark model.

  9. Modular coupling of transport and chemistry: theory and model applications

    International Nuclear Information System (INIS)

    Pfingsten, W.

    1994-06-01

    For the description of complex processes in the near-field of a radioactive waste repository, the coupling of transport and chemistry is necessary. A reason for the relatively minor use of coupled codes in this area is the high amount of computer time and storage capacity necessary for calculations by conventional codes, and lack of available data. The simple application of the sequentially coupled code MCOTAC, which couples one-dimensional advective, dispersive and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium, shows some promising features with respect to applicability to relevant problems. Transport, described by a random walk of multi-species particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term to ensure mass conservation. The modular-structured code was applied to three problems: a) incongruent dissolution of hydrated silicate gels, b) dissolution of portlandite and c) calcite dissolution and hypothetical dolomite precipitation. This allows for a comparison with other codes and their applications. The incongruent dissolution of cement phases, important for degradation of cementitious materials in a repository, can be included in the model without the problems which occur with a directly coupled code. The handling of a sharp multi-mineral front system showed a much faster calculation time compared to a directly coupled code application. Altogether, the results are in good agreement with other code calculations. Hence, the chosen modular concept of MCOTAC is more open to an easy extension of the code to include additional processes like sorption, kinetically controlled processes, transport in two or three spatial dimensions, and adaptation to new developments in computing (hardware and software), an important factor for applicability. (author) figs., tabs., refs

  10. Bright solitons in coupled defocusing NLS equation supported by coupling: Application to Bose-Einstein condensation

    International Nuclear Information System (INIS)

    Adhikari, Sadhan K.

    2005-01-01

    We demonstrate the formation of bright solitons in coupled self-defocusing nonlinear Schroedinger (NLS) equation supported by attractive coupling. As an application we use a time-dependent dynamical mean-field model to study the formation of stable bright solitons in two-component repulsive Bose-Einstein condensates (BECs) supported by interspecies attraction in a quasi one-dimensional geometry. When all interactions are repulsive, there cannot be bright solitons. However, bright solitons can be formed in two-component repulsive BECs for a sufficiently attractive interspecies interaction, which induces an attractive effective interaction among bosons of same type

  11. Design and Optimization of UWB for Air Coupled GPR Applications

    Science.gov (United States)

    2014-10-01

    of 1°. 36 Figure 36: Measured (dashed) versus simulation (solid) radiation pattern at 1.9GHz Figure 37: Measured ...Evans, S. "Radio techniques for the measurement of ice thickness." Polar Record 11.73 (1963): 406-410. Federal Communications Commission ( FCC ...directed gain and radiation efficiency. DESIGN AND OPTIMIZATION OF UWB ANTENNA FOR AIR COUPLED GPR APPLICATIONS A

  12. Exciton-plasmon coupling interactions: from principle to applications

    Science.gov (United States)

    Cao, En; Lin, Weihua; Sun, Mengtao; Liang, Wenjie; Song, Yuzhi

    2018-01-01

    The interaction of exciton-plasmon coupling and the conversion of exciton-plasmon-photon have been widely investigated experimentally and theoretically. In this review, we introduce the exciton-plasmon interaction from basic principle to applications. There are two kinds of exciton-plasmon coupling, which demonstrate different optical properties. The strong exciton-plasmon coupling results in two new mixed states of light and matter separated energetically by a Rabi splitting that exhibits a characteristic anticrossing behavior of the exciton-LSP energy tuning. Compared to strong coupling, such as surface-enhanced Raman scattering, surface plasmon (SP)-enhanced absorption, enhanced fluorescence, or fluorescence quenching, there is no perturbation between wave functions; the interaction here is called the weak coupling. SP resonance (SPR) arises from the collective oscillation induced by the electromagnetic field of light and can be used for investigating the interaction between light and matter beyond the diffraction limit. The study on the interaction between SPR and exaction has drawn wide attention since its discovery not only due to its contribution in deepening and broadening the understanding of SPR but also its contribution to its application in light-emitting diodes, solar cells, low threshold laser, biomedical detection, quantum information processing, and so on.

  13. Control of coupled oscillator networks with application to microgrid technologies.

    Science.gov (United States)

    Skardal, Per Sebastian; Arenas, Alex

    2015-08-01

    The control of complex systems and network-coupled dynamical systems is a topic of vital theoretical importance in mathematics and physics with a wide range of applications in engineering and various other sciences. Motivated by recent research into smart grid technologies, we study the control of synchronization and consider the important case of networks of coupled phase oscillators with nonlinear interactions-a paradigmatic example that has guided our understanding of self-organization for decades. We develop a method for control based on identifying and stabilizing problematic oscillators, resulting in a stable spectrum of eigenvalues, and in turn a linearly stable synchronized state. The amount of control, that is, number of oscillators, required to stabilize the network is primarily dictated by the coupling strength, dynamical heterogeneity, and mean degree of the network, and depends little on the structural heterogeneity of the network itself.

  14. Control of coupled oscillator networks with application to microgrid technologies

    Science.gov (United States)

    Arenas, Alex

    The control of complex systems and network-coupled dynamical systems is a topic of vital theoretical importance in mathematics and physics with a wide range of applications in engineering and various other sciences. Motivated by recent research into smart grid technologies, we study the control of synchronization and consider the important case of networks of coupled phase oscillators with nonlinear interactions-a paradigmatic example that has guided our understanding of self-organization for decades. We develop a method for control based on identifying and stabilizing problematic oscillators, resulting in a stable spectrum of eigenvalues, and in turn a linearly stable syn- chronized state. The amount of control, that is, number of oscillators, required to stabilize the network is primarily dictated by the coupling strength, dynamical heterogeneity, and mean degree of the network, and depends little on the structural heterogeneity of the network itself.

  15. Coupling between plasmonic films and nanostructures: from basics to applications

    Directory of Open Access Journals (Sweden)

    Maurer Thomas

    2015-11-01

    Full Text Available Plasmonic film-nanoparticles coupled systems have had a renewed interest for the past 5 years both for the richness of the provided plasmonic modes and for their high technological potential. Many groups started to investigate the optical properties of film-nanoparticles coupled systems, as to whether the spacer layer thickness is tens of nanometers thick or goes down to a few nanometers or angstroms, even reaching contact. This article reviews the recent breakthroughs in the physical understanding of such coupled systems and the different systems where nanoparticles on top of the spacer layer are either isolated/random or form regular arrays. The potential for applications, especially as perfect absorbers or transmitters is also put into evidence.

  16. Personality Profile Investigation of Adoption Applicant Couples in Arak, 2014

    Directory of Open Access Journals (Sweden)

    Hamid Reza Jamilian

    2016-06-01

    Full Text Available Abstract Background: Adoption has a significant role for strengthening families without children and also resolution of psychological confilicts of unsupervised children. The goal of this study is to assess the psychological status of adoption applicant couples. Materials and Methods: This is a descriptive- analytic study that is done with cooperation of welfare organization and Arak University of Medical Sciences in 2014. All adoption applicant couples referred to welfare organization for 1 year participated in the study. Data were gathered by using demographic questionnaire and MMPI-II. Data were showed by descriptive statistic and were analyzed by using mean, average and covariance analysis indices. Results: Mean and standard deviation of all clinical scales and reliability of MMPI-II in all samples and also different subgroups of statistical population were under 65. All applicants had good mental health and psychologically were eligible for adoption. A group of applicants have pretended themselves better than what they are because of the fear of rejection that led to significant difference in k scale(p=0.019. Conclusion: According to the findings of this study, applicants had good mental health and didn’t have any psychopathologic damage, but sometimes they have pretended themselves better than what they are. Investigation of other diagnostic tools in future studies is recommended.

  17. New Trends in Model Coupling Theory, Numerics and Applications

    International Nuclear Information System (INIS)

    Coquel, F.; Godlewski, E.; Herard, J. M.; Segre, J.

    2010-01-01

    This special issue comprises selected papers from the workshop New Trends in Model Coupling, Theory, Numerics and Applications (NTMC'09) which took place in Paris, September 2 - 4, 2009. The research of optimal technological solutions in a large amount of industrial systems requires to perform numerical simulations of complex phenomena which are often characterized by the coupling of models related to various space and/or time scales. Thus, the so-called multi-scale modelling has been a thriving scientific activity which connects applied mathematics and other disciplines such as physics, chemistry, biology or even social sciences. To illustrate the variety of fields concerned by the natural occurrence of model coupling we may quote: meteorology where it is required to take into account several turbulence scales or the interaction between oceans and atmosphere, but also regional models in a global description, solid mechanics where a thorough understanding of complex phenomena such as propagation of cracks needs to couple various models from the atomistic level to the macroscopic level; plasma physics for fusion energy for instance where dense plasmas and collisionless plasma coexist; multiphase fluid dynamics when several types of flow corresponding to several types of models are present simultaneously in complex circuits; social behaviour analysis with interaction between individual actions and collective behaviour. (authors)

  18. Isolated and coupled superquadric loop antennas for mobile communications applications

    Science.gov (United States)

    Jensen, Michael A.; Rahmat-Samii, Yahya

    1993-01-01

    This work provides an investigation of the performance of loop antennas for use in mobile communications applications. The analysis tools developed allow for high flexibility by representing the loop antenna as a superquadric curve, which includes the case of circular, elliptical, and rectangular loops. The antenna may be in an isolated environment, located above an infinite ground plane, or placed near a finite conducting plate or box. In cases where coupled loops are used, the two loops may have arbitrary relative positions and orientations. Several design examples are included to illustrate the versatility of the analysis capabilities. The performance of coupled loops arranged in a diversity scheme is also evaluated, and it is found that high diversity gain can be achieved even when the antennas are closely spaced.

  19. A Criterion for Stability of Synchronization and Application to Coupled Chua's Systems

    International Nuclear Information System (INIS)

    Wang Haixia; Lu Qishao; Wang Qingyun

    2009-01-01

    We investigate synchronization in an array network of nearest-neighbor coupled chaotic oscillators. By using of the Lyapunov stability theory and matrix theory, a criterion for stability of complete synchronization is deduced. Meanwhile, an estimate of the critical coupling strength is obtained to ensure achieving chaos synchronization. As an example application, a model of coupled Chua's circuits with linearly bidirectional coupling is studied to verify the validity of the criterion. (general)

  20. Application of heteronuclear couplings to conformational analysis of oligonucleotides

    International Nuclear Information System (INIS)

    Zhu, G.; Live, D.; Bax, A.

    1994-01-01

    The value of vicinal coupling constants extracted from NMR spectra in deducing torsion angles for conformational analysis is well recognized. Due to the abundance of protons, their couplings have been mostly widely used. In many instances, couplings between protons and other nuclei may be a valuable complement to proton-proton couplings or, in some instances, may be the only coupling available to characterize the torsion angle about a bond. Recently, heteronuclear couplings have been used to great benefit in studies of isotopically enriched proteins, and this general approach has been extended to peptides at natural abundance. The possibility of using this approach to study oligonucleotides is also attractive but has not as yet been widely exploited. With the development of strategies for labeling such molecules, particularly RNAs, this may become an important component in conformational analysis. For DNA, labeling is less accessible, but sufficient quantities of unlabeled material are readily available for measuring these couplings at natural abundance. We chose several DNA systems to explore the usefulness of heteronuclear couplings in addressing the sugar conformation and the glycosidic torsion angle. Intensities of cross peaks in long-range HMQC experiments can be related to the couplings. Crosspeaks involving H1' and C1' atoms have been emphasized because of the superior shift dispersion at these positions between sugar protons and carbon atoms. Results will be shown for the self-complementary Dickerson duplex dodecamer sequence d(CGCGAATTCGCG) and for d(GGTCGG), which dimerizes to form a G-tetrad structure incorporating both syn and anti base orientations. The couplings provide a clear discrimination between presence of C3'-endo and C2'-endo conformations of the sugars and syn and anti bases arrangements

  1. Application of heteronuclear couplings to conformational analysis of oligonucleotides

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, G. [Univ. of Maryland, College Park, MD (United States); Live, D. [Memorial Sloan-Kettering Cancer Center, New York, NY (United States); Bax, A. [NIDDK National Institutes of Health, Bethesda, MD (United States)

    1994-12-01

    The value of vicinal coupling constants extracted from NMR spectra in deducing torsion angles for conformational analysis is well recognized. Due to the abundance of protons, their couplings have been mostly widely used. In many instances, couplings between protons and other nuclei may be a valuable complement to proton-proton couplings or, in some instances, may be the only coupling available to characterize the torsion angle about a bond. Recently, heteronuclear couplings have been used to great benefit in studies of isotopically enriched proteins, and this general approach has been extended to peptides at natural abundance. The possibility of using this approach to study oligonucleotides is also attractive but has not as yet been widely exploited. With the development of strategies for labeling such molecules, particularly RNAs, this may become an important component in conformational analysis. For DNA, labeling is less accessible, but sufficient quantities of unlabeled material are readily available for measuring these couplings at natural abundance. We chose several DNA systems to explore the usefulness of heteronuclear couplings in addressing the sugar conformation and the glycosidic torsion angle. Intensities of cross peaks in long-range HMQC experiments can be related to the couplings. Crosspeaks involving H1{prime} and C1{prime} atoms have been emphasized because of the superior shift dispersion at these positions between sugar protons and carbon atoms. Results will be shown for the self-complementary Dickerson duplex dodecamer sequence d(CGCGAATTCGCG) and for d(GGTCGG), which dimerizes to form a G-tetrad structure incorporating both syn and anti base orientations. The couplings provide a clear discrimination between presence of C3{prime}-endo and C2{prime}-endo conformations of the sugars and syn and anti bases arrangements.

  2. Couplings

    Science.gov (United States)

    Stošić, Dušan; Auroux, Aline

    Basic principles of calorimetry coupled with other techniques are introduced. These methods are used in heterogeneous catalysis for characterization of acidic, basic and red-ox properties of solid catalysts. Estimation of these features is achieved by monitoring the interaction of various probe molecules with the surface of such materials. Overview of gas phase, as well as liquid phase techniques is given. Special attention is devoted to coupled calorimetry-volumetry method. Furthermore, the influence of different experimental parameters on the results of these techniques is discussed, since it is known that they can significantly influence the evaluation of catalytic properties of investigated materials.

  3. Application of coupled nanoscale resonators for spectral sensing

    International Nuclear Information System (INIS)

    Nefedov, N

    2009-01-01

    In this paper we propose a method to perform tunable spectral sensing using globally inhibitory coupled oscillators. The suggested system may operate in the analog radio frequency (RF) domain without high speed ADC and heavy digital signal processing. Oscillator arrays may be made of imprecise elements such as nanoresonators. Provided there is a proper coupling, the system dynamics can be made stable despite the imprecision of the components. Global coupling could be implemented using a common load and controlled by digital means to tune the bandwidth. This method may be used for spectral sensing in cognitive radio terminals.

  4. Application of coupled nanoscale resonators for spectral sensing

    Energy Technology Data Exchange (ETDEWEB)

    Nefedov, N [Nokia Research Center, Hardturmstrasse 253, CH-8005 Zurich (Switzerland); Swiss Federal Institute of Technology Zurich (ETHZ), ISI Laboratory, Sternwartstrasse 7, CH-8092 Zuerich (Switzerland)], E-mail: nikolai.nefedov@nokia.com

    2009-04-08

    In this paper we propose a method to perform tunable spectral sensing using globally inhibitory coupled oscillators. The suggested system may operate in the analog radio frequency (RF) domain without high speed ADC and heavy digital signal processing. Oscillator arrays may be made of imprecise elements such as nanoresonators. Provided there is a proper coupling, the system dynamics can be made stable despite the imprecision of the components. Global coupling could be implemented using a common load and controlled by digital means to tune the bandwidth. This method may be used for spectral sensing in cognitive radio terminals.

  5. Identification of coupling direction: Application to cardiorespiratory interaction

    Science.gov (United States)

    Rosenblum, Michael G.; Cimponeriu, Laura; Bezerianos, Anastasios; Patzak, Andreas; Mrowka, Ralf

    2002-04-01

    We consider the problem of experimental detection of directionality of weak coupling between two self-sustained oscillators from bivariate data. We further develop the method introduced by Rosenblum and Pikovsky [Phys. Rev. E 64, 045202 (2001)], suggesting an alternative approach. Next, we consider another framework for identification of directionality, based on the idea of mutual predictability. Our algorithms provide directionality index that shows whether the coupling between the oscillators is unidirectional or bidirectional, and quantifies the asymmetry of bidirectional coupling. We demonstrate the efficiency of three different algorithms in determination of directionality index from short and noisy data. These techniques are then applied to analysis of cardiorespiratory interaction in healthy infants. The results reveal that the direction of coupling between cardiovascular and respiratory systems varies with the age within the first 6 months of life. We find a tendency to change from nearly symmetric bidirectional interaction to nearly unidirectional one (from respiration to the cardiovascular system).

  6. Reduction of Couplings: Applications in Finite Theories and the MSSM

    CERN Document Server

    Mondragón, Myriam; Tracas, Nick; Zoupanos, George

    2017-01-01

    The method of reduction of couplings is applied to a Finite Unified Theory and in the MSSM.We search for renormalization group invariant relations among couplings of a renormalizable theory which holds to all orders in perturbation theory. The method leads to relations, at the unification scale, between gauge and Yukawa couplings (in the dimensionless sectors of the theory) and relations among the couplings of the trilinear terms and the Yukawa couplings, as well as a sum rule among the scalar masses and the gaugino mass (in the soft breaking sector). In the Finite Unified Theory model we predict, with remarkable agreement with the experiment, the masses of the top and bottom quarks while our predictions for the light Higgs mass and the rest supersymmetric spectrum masses are in comfortable agreement with the LHC bounds on Higgs and supersymmetric particles. In the case of the reduced MSSM the predictions are less successful but recent improvements in the code used to calculate the Higgs masses give promises ...

  7. Application of hydraulically assembled shaft coupling hubs to large agitators

    International Nuclear Information System (INIS)

    Murray, W.E.; Anderson, T.D.; Bethmann, H.K.

    1991-01-01

    This paper describes the basis for and implementation of hydraulically assembled shaft coupling hubs for large tank-mounted agitators. This modification to the original design was intended to minimize maintenance personnel exposure to ionizing radiation and also provide for disassembly capability without damage to shafts or hubs. In addition to realizing these objectives, test confirmed that the modified couplings reduced agitator shaft end runouts approximately 65%, thereby reducing bearing loads and increasing service life, a significant enhancement for a nuclear facility. 5 refs

  8. MEMS Coupled Resonator for Filter Application in Air

    KAUST Repository

    Ilyas, Saad; Jaber, Nizar; Younis, Mohammad I.

    2017-01-01

    We present a mechanically coupled MEMS H resonator capable of performing simultaneous amplification and filter operation in air. The device comprises of two doubly clamped polyimide microbeams joined through the middle by a coupling beam of the same size. The resonator is fabricated via a multilayer surface micromachining process. A special fabrication process and device design is employed to enable the device's operation in air and to achieve mechanical amplification of the output response. Moreover, mixed-frequency excitation is used to demonstrate a tunable wide band filter. The device design combined with the mixed-frequency excitation is used to demonstrate simultaneous amplification and filtering in air.

  9. MEMS Coupled Resonator for Filter Application in Air

    KAUST Repository

    Ilyas, Saad

    2017-11-03

    We present a mechanically coupled MEMS H resonator capable of performing simultaneous amplification and filter operation in air. The device comprises of two doubly clamped polyimide microbeams joined through the middle by a coupling beam of the same size. The resonator is fabricated via a multilayer surface micromachining process. A special fabrication process and device design is employed to enable the device\\'s operation in air and to achieve mechanical amplification of the output response. Moreover, mixed-frequency excitation is used to demonstrate a tunable wide band filter. The device design combined with the mixed-frequency excitation is used to demonstrate simultaneous amplification and filtering in air.

  10. Coupled latent differential equation with moderators: simulation and application.

    Science.gov (United States)

    Hu, Yueqin; Boker, Steve; Neale, Michael; Klump, Kelly L

    2014-03-01

    Latent differential equations (LDE) use differential equations to analyze time series data. Because of the recent development of this technique, some issues critical to running an LDE model remain. In this article, the authors provide solutions to some of these issues and recommend a step-by-step procedure demonstrated on a set of empirical data, which models the interaction between ovarian hormone cycles and emotional eating. Results indicated that emotional eating is self-regulated. For instance, when people do more emotional eating than normal, they will subsequently tend to decrease their emotional eating behavior. In addition, a sudden increase will produce a stronger tendency to decrease than will a slow increase. We also found that emotional eating is coupled with the cycle of the ovarian hormone estradiol, and the peak of emotional eating occurs after the peak of estradiol. The self-reported average level of negative affect moderates the frequency of eating regulation and the coupling strength between eating and estradiol. Thus, people with a higher average level of negative affect tend to fluctuate faster in emotional eating, and their eating behavior is more strongly coupled with the hormone estradiol. Permutation tests on these empirical data supported the reliability of using LDE models to detect self-regulation and a coupling effect between two regulatory behaviors. (c) 2014 APA, all rights reserved.

  11. Application of the perturbation series expansion quantum Monte Carlo method to multiorbital systems having Hund's coupling

    International Nuclear Information System (INIS)

    Sakai, Shiro; Arita, Ryotaro; Aoki, Hideo

    2006-01-01

    We propose a new quantum Monte Carlo method especially intended to couple with the dynamical mean-field theory. The algorithm is not only much more efficient than the conventional Hirsch-Fye algorithm, but is applicable to multiorbital systems having an SU(2)-symmetric Hund's coupling as well

  12. Magnetoelectric Coupling in CuO Nanoparticles for Spintronics Applications

    Science.gov (United States)

    Kaur, Mandeep; Tovstolytkin, Alexandr; Lotey, Gurmeet Singh

    2018-05-01

    Multiferroic copper oxide (CuO) nanoparticles have been synthesized by colloidal synthesis method. The morphological, structural, magnetic, dielectric and magnetodielectric property has been investigated. The structural study reveals the monoclinic structure of CuO nanoparticles. Transmission electron microscopy images disclose that the size of the CuO nanoparticles is 18 nm and the synthesized nanoparticles are uniform in size and dispersion. Magnetic study tells the weak ferromagnetic character of CuO nanoparticles with coercivity and retentivity value 206 Oe and 0.060 emu/g respectively. Dielectric study confirms that the dielectric constant of CuO nanoparticles is around 1091 at low frequency. The magnetoelectric coupling in the synthesized CuO nanoparticles has been calculated by measuring magnetodielectric coupling coefficient.

  13. Applications of molecular replacement to G protein-coupled receptors

    International Nuclear Information System (INIS)

    Kruse, Andrew C.; Manglik, Aashish; Kobilka, Brian K.; Weis, William I.

    2013-01-01

    The use of molecular replacement in solving the structures of G protein-coupled receptors is discussed, with specific examples being described in detail. G protein-coupled receptors (GPCRs) are a large class of integral membrane proteins involved in regulating virtually every aspect of human physiology. Despite their profound importance in human health and disease, structural information regarding GPCRs has been extremely limited until recently. With the advent of a variety of new biochemical and crystallographic techniques, the structural biology of GPCRs has advanced rapidly, offering key molecular insights into GPCR activation and signal transduction. To date, almost all GPCR structures have been solved using molecular-replacement techniques. Here, the unique aspects of molecular replacement as applied to individual GPCRs and to signaling complexes of these important proteins are discussed

  14. Investigation of spatial coupling aspects for coupled code application in PWR safety analysis

    International Nuclear Information System (INIS)

    Todorova, N.K.; Ivanov, K.N.

    2003-01-01

    The simulation of nuclear power plant accident conditions requires three-dimensional (3-D) modeling of the reactor core to ensure a realistic description of physical phenomena. This paper describes a part of the research activities carried out on the sensitivity of coupled neutronics/thermal-hydraulic system code's results to the spatial mesh overlays used for modeling pressurized water reactor (PWR) cores for analysis of different transients. The coupled TRAC-PF1/NEM was used to model PWR rod ejection accident (REA). Modeling schemes for pressurized water reactor are described in detail, followed by a comparative analysis of both steady state and transient calculations. By using different TRAC-PF1/NEM vessel modeling options it was demonstrated that the geometric refinement plays a great role in determining the local parameters and control rod worth in the case of spatially asymmetric transients. The capability of TRAC-PF1/NEM to introduce local refinement of heat structure models was explored while preserving the original coarse-mesh structure of the hydraulic model. The obtained results indicated that the thermal-hydraulic feedback phenomenon is non-linear and cannot be separated even in rod ejection accident analysis, where the Doppler feedback plays a dominant role. While the impact of neutronics mesh refinement is well known, this research found that the local predictions, as well as the global predictions are also very sensitive to the thermal-hydraulic refinement

  15. Phase patterns of coupled oscillators with application to wireless communication

    Energy Technology Data Exchange (ETDEWEB)

    Arenas, A.

    2008-01-02

    Here we study the plausibility of a phase oscillators dynamical model for TDMA in wireless communication networks. We show that emerging patterns of phase locking states between oscillators can eventually oscillate in a round-robin schedule, in a similar way to models of pulse coupled oscillators designed to this end. The results open the door for new communication protocols in a continuous interacting networks of wireless communication devices.

  16. Application of a Light-Front Coupled Cluster Method

    International Nuclear Information System (INIS)

    Chabysheva, S.S.; Hiller, J.R.

    2012-01-01

    As a test of the new light-front coupled-cluster method in a gauge theory, we apply it to the nonperturbative construction of the dressed-electron state in QED, for an arbitrary covariant gauge, and compute the electron's anomalous magnetic moment. The construction illustrates the spectator and Fock-sector independence of vertex and self-energy contributions and indicates resolution of the difficulties with uncanceled divergences that plague methods based on Fock-space truncation. (author)

  17. Final report on LDRD project : coupling strategies for multi-physics applications.

    Energy Technology Data Exchange (ETDEWEB)

    Hopkins, Matthew Morgan; Moffat, Harry K.; Carnes, Brian; Hooper, Russell Warren; Pawlowski, Roger P.

    2007-11-01

    Many current and future modeling applications at Sandia including ASC milestones will critically depend on the simultaneous solution of vastly different physical phenomena. Issues due to code coupling are often not addressed, understood, or even recognized. The objectives of the LDRD has been both in theory and in code development. We will show that we have provided a fundamental analysis of coupling, i.e., when strong coupling vs. a successive substitution strategy is needed. We have enabled the implementation of tighter coupling strategies through additions to the NOX and Sierra code suites to make coupling strategies available now. We have leveraged existing functionality to do this. Specifically, we have built into NOX the capability to handle fully coupled simulations from multiple codes, and we have also built into NOX the capability to handle Jacobi Free Newton Krylov simulations that link multiple applications. We show how this capability may be accessed from within the Sierra Framework as well as from outside of Sierra. The critical impact from this LDRD is that we have shown how and have delivered strategies for enabling strong Newton-based coupling while respecting the modularity of existing codes. This will facilitate the use of these codes in a coupled manner to solve multi-physic applications.

  18. Head-coupled remote stereoscopic camera system for telepresence applications

    Science.gov (United States)

    Bolas, Mark T.; Fisher, Scott S.

    1990-09-01

    The Virtual Environment Workstation Project (VIEW) at NASA's Ames Research Center has developed a remotely controlled stereoscopic camera system that can be used for telepresence research and as a tool to develop and evaluate configurations for head-coupled visual systems associated with space station telerobots and remote manipulation robotic arms. The prototype camera system consists of two lightweight CCD video cameras mounted on a computer controlled platform that provides real-time pan, tilt, and roll control of the camera system in coordination with head position transmitted from the user. This paper provides an overall system description focused on the design and implementation of the camera and platform hardware configuration and the development of control software. Results of preliminary performance evaluations are reported with emphasis on engineering and mechanical design issues and discussion of related psychophysiological effects and objectives.

  19. Applications for coupled core neutronics and thermal-hydraulic models

    International Nuclear Information System (INIS)

    Eller, J.

    1996-01-01

    The unprecedented increases in computing capacity that have occurred during the last decade have affected our sciences, and thus our lives, to an extent that is difficult to overstate. All indications are that this trend will continue for years to come. Nuclear reactor systems analysis is one of many areas of engineering that has changed dramatically as a result of this evolution. Our ability to model the various mechanical and physical systems in greater and greater detail has allowed significant improvements in operational efficiency in spite of increasing regulatory requirements. Many of these efficiencies result from the use of more complex and geometrically detailed computer modeling, which is used to justify a reduction or elimination of some of the conservatisms required by earlier, less sophisticated analyses. And more recently, as our industries open-quotes downsize,close quotes efforts are being made to find ways to use the ever-increasing computing capacity to design systems that accomplish more work, in less time, and with fewer people. The balance of this paper discusses some of the visions that Duke Power Company feels would most benefit their particular methodologies. One of the concepts receiving a lot of attention involves an automated coupling of a thermal-hydraulic plant systems analysis model to a three-dimensional core neutronics program. The thermal-hydraulic analysis of several postulated system transients incorporates large conservatisms because of limited ability to model complex time-dependent asymmetric heat sources in adequate geometric detail. For these transients, the core behavior is closely coupled with the thermal-hydraulic behavior of the total plant system and vice versa. Steam-line break, uncontrolled rod withdrawal, and rod drop anayses are likely to benefit most from this type of linked process

  20. Light-matter interaction in the strong coupling regime: configurations, conditions, and applications.

    Science.gov (United States)

    Dovzhenko, D S; Ryabchuk, S V; Rakovich, Yu P; Nabiev, I R

    2018-02-22

    Resonance interaction between a molecular transition and a confined electromagnetic field can reach the coupling regime where coherent exchange of energy between light and matter becomes reversible. In this case, two new hybrid states separated in energy are formed instead of independent eigenstates, which is known as Rabi splitting. This modification of the energy spectra of the system offers new possibilities for controlled impact on various fundamental properties of coupled matter (such as the rate of chemical reactions and the conductivity of organic semiconductors). To date, the strong coupling regime has been demonstrated in many configurations under different ambient conditions. However, there is still no comprehensive approach to determining parameters for achieving the strong coupling regime for a wide range of practical applications. In this review, a detailed analysis of various systems and corresponding conditions for reaching strong coupling is carried out and their advantages and disadvantages, as well as the prospects for application, are considered. The review also summarizes recent experiments in which the strong coupling regime has led to new interesting results, such as the possibility of collective strong coupling between X-rays and matter excitation in a periodic array of Fe isotopes, which extends the applications of quantum optics; a strong amplification of the Raman scattering signal from a coupled system, which can be used in surface-enhanced and tip-enhanced Raman spectroscopy; and more efficient second-harmonic generation from the low polaritonic state, which is promising for nonlinear optics. The results reviewed demonstrate great potential for further practical applications of strong coupling in the fields of photonics (low-threshold lasers), quantum communications (switches), and biophysics (molecular fingerprinting).

  1. Plasma-based localized defect for switchable coupling applications

    International Nuclear Information System (INIS)

    Varault, Stefan; Gabard, Benjamin; Sokoloff, Jerome; Bolioli, Sylvain

    2011-01-01

    We report in this paper experimental measurements in order to validate the concept of switchable electromagnetic band gap filters based on plasma capillaries in the microwave regime. The plasma tube is embedded inside the structure to create a bistable (plasma on or off) punctual defect. We first investigate two kinds of discharge tubes: Ar-Hg and pure Ne, which we then use to experimentally achieve plasma-based reconfigurable applications, namely, a two-port coupler and a two-port demultiplexer.

  2. Potential Applications of Zeolite Membranes in Reaction Coupling Separation Processes

    Directory of Open Access Journals (Sweden)

    Tunde V. Ojumu

    2012-10-01

    Full Text Available Future production of chemicals (e.g., fine and specialty chemicals in industry is faced with the challenge of limited material and energy resources. However, process intensification might play a significant role in alleviating this problem. A vision of process intensification through multifunctional reactors has stimulated research on membrane-based reactive separation processes, in which membrane separation and catalytic reaction occur simultaneously in one unit. These processes are rather attractive applications because they are potentially compact, less capital intensive, and have lower processing costs than traditional processes. Therefore this review discusses the progress and potential applications that have occurred in the field of zeolite membrane reactors during the last few years. The aim of this article is to update researchers in the field of process intensification and also provoke their thoughts on further research efforts to explore and exploit the potential applications of zeolite membrane reactors in industry. Further evaluation of this technology for industrial acceptability is essential in this regard. Therefore, studies such as techno-economical feasibility, optimization and scale-up are of the utmost importance.

  3. Applications for skimmer coupling systems, combining simultaneous thermal analysers with mass spectrometers

    International Nuclear Information System (INIS)

    Kaisersberger, E.; Post, E.

    1998-01-01

    The sensitivity of the Skimmer coupling for combining the simultaneous thermal analysis (STA) method TG-DTA/DSC and mass spectrometry (MS) is further improved by a factor of three using an automatic vacuum control device. Especially high mass numbers are detected without the common condensation problems met in capillary couplings, as is shown by application of the skimmer coupling for coal, CuGaSe 2 -semiconductor material and polystyrene. The basic idea of the novel pulse thermal analysis technique (PTA) is demonstrated. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  4. Applicability of Avery's coupled reactor theory to estimate subcriticality of test region in two region system

    International Nuclear Information System (INIS)

    Kugo, Teruhiko

    1992-01-01

    The author examined the validity to estimate the subcriticality of a test region in a coupled reactor system using only measurable quantities on the basis of Avery's coupled reactor theory. For the purpose, we analyzed coupled reactor experiments performed at the Tank-type Critical Assembly in Japan Atomic Energy Research Institute by using two region systems and evaluated the subcriticality of the test region through a numerical study. Coupling coefficients were redefined at the quasi-static state because their definitions by Avery were not clear. With the coupling coefficients obtained by the numerical calculation, the multiplication factor of the test region was evaluated by two formulas; one for the evaluation using only the measurable quantities and the other for the accurate evaluation which contains the terms dropped in the former formula by assuming the unchangeableness for the perturbation induced in a driver region. From the comparison between the results of the evaluations, it was found that the estimation using only the measurable quantities is valid only for the coupled reactor system where the subcriticality of the test region was very small within a few dollars in reactivity. Consequently, it is concluded that the estimation using only the measurable quantities is not applicable to a general coupled reactor system. (author)

  5. Application of Mortar Coupling in Multiscale Modelling of Coupled Flow, Transport, and Biofilm Growth in Porous Media

    Science.gov (United States)

    Laleian, A.; Valocchi, A. J.; Werth, C. J.

    2017-12-01

    Multiscale models of reactive transport in porous media are capable of capturing complex pore-scale processes while leveraging the efficiency of continuum-scale models. In particular, porosity changes caused by biofilm development yield complex feedbacks between transport and reaction that are difficult to quantify at the continuum scale. Pore-scale models, needed to accurately resolve these dynamics, are often impractical for applications due to their computational cost. To address this challenge, we are developing a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled with a mortar method providing continuity at interfaces. We explore two decompositions of coupled pore-scale and continuum-scale regions to study biofilm growth in a transverse mixing zone. In the first decomposition, all reaction is confined to a pore-scale region extending the transverse mixing zone length. Only solute transport occurs in the surrounding continuum-scale regions. Relative to a fully pore-scale result, we find the multiscale model with this decomposition has a reduced run time and consistent result in terms of biofilm growth and solute utilization. In the second decomposition, reaction occurs in both an up-gradient pore-scale region and a down-gradient continuum-scale region. To quantify clogging, the continuum-scale model implements empirical relations between porosity and continuum-scale parameters, such as permeability and the transverse dispersion coefficient. Solutes are sufficiently mixed at the end of the pore-scale region, such that the initial reaction rate is accurately computed using averaged concentrations in the continuum-scale region. Relative to a fully pore-scale result, we find accuracy of biomass growth in the multiscale model with this decomposition improves as the interface between pore-scale and continuum-scale regions moves downgradient where transverse mixing is more fully developed. Also, this

  6. LC-NMR coupling technology: recent advancements and applications in natural products analysis

    NARCIS (Netherlands)

    Exarchou, V.; Krucker, M.; Beek, van T.A.; Vervoort, J.J.M.; Gerothanassis, I.P.; Albert, K.

    2005-01-01

    An overview of recent advances in nuclear magnetic resonance (NMR) coupled with separation technologies and their application in natural product analysis is given and discussed. The different modes of LC-NMR operation are described, as well as how technical improvements assist in establishing LC-NMR

  7. A Coupled Surface Nudging Scheme for use in Retrospective Weather and Climate Simulations for Environmental Applications

    Science.gov (United States)

    A surface analysis nudging scheme coupling atmospheric and land surface thermodynamic parameters has been implemented into WRF v3.8 (latest version) for use with retrospective weather and climate simulations, as well as for applications in air quality, hydrology, and ecosystem mo...

  8. Evaluation of a charged coupled device camera for streamer chamber applications

    International Nuclear Information System (INIS)

    Holmgren, D.; Wallick, W.; Kenyon, R.; Lubatti, H.J.

    1978-01-01

    The response of a charged coupled device to a Ne light source is studied and compared to the Kodak SO-143 film commonly used for streamer chamber applications. It is found that the CCD-202 cooled to -10 0 C is considerably more sensitive than the film. A test of a CCD-based measurement system observing a streamer chamber is described. 3 refs

  9. A New Metric for Land-Atmosphere Coupling Strength: Applications on Observations and Modeling

    Science.gov (United States)

    Tang, Q.; Xie, S.; Zhang, Y.; Phillips, T. J.; Santanello, J. A., Jr.; Cook, D. R.; Riihimaki, L.; Gaustad, K.

    2017-12-01

    A new metric is proposed to quantify the land-atmosphere (LA) coupling strength and is elaborated by correlating the surface evaporative fraction and impacting land and atmosphere variables (e.g., soil moisture, vegetation, and radiation). Based upon multiple linear regression, this approach simultaneously considers multiple factors and thus represents complex LA coupling mechanisms better than existing single variable metrics. The standardized regression coefficients quantify the relative contributions from individual drivers in a consistent manner, avoiding the potential inconsistency in relative influence of conventional metrics. Moreover, the unique expendable feature of the new method allows us to verify and explore potentially important coupling mechanisms. Our observation-based application of the new metric shows moderate coupling with large spatial variations at the U.S. Southern Great Plains. The relative importance of soil moisture vs. vegetation varies by location. We also show that LA coupling strength is generally underestimated by single variable methods due to their incompleteness. We also apply this new metric to evaluate the representation of LA coupling in the Accelerated Climate Modeling for Energy (ACME) V1 Contiguous United States (CONUS) regionally refined model (RRM). This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-734201

  10. Applications of inductively coupled plasma mass spectrometry and laser ablation inductively coupled plasma mass spectrometry in materials science

    International Nuclear Information System (INIS)

    Becker, Johanna Sabine

    2002-01-01

    Inductively coupled plasma mass spectrometry (ICP-MS) and laser ablation ICP-MS (LA-ICP-MS) have been applied as the most important inorganic mass spectrometric techniques having multielemental capability for the characterization of solid samples in materials science. ICP-MS is used for the sensitive determination of trace and ultratrace elements in digested solutions of solid samples or of process chemicals (ultrapure water, acids and organic solutions) for the semiconductor industry with detection limits down to sub-picogram per liter levels. Whereas ICP-MS on solid samples (e.g. high-purity ceramics) sometimes requires time-consuming sample preparation for its application in materials science, and the risk of contamination is a serious drawback, a fast, direct determination of trace elements in solid materials without any sample preparation by LA-ICP-MS is possible. The detection limits for the direct analysis of solid samples by LA-ICP-MS have been determined for many elements down to the nanogram per gram range. A deterioration of detection limits was observed for elements where interferences with polyatomic ions occur. The inherent interference problem can often be solved by applying a double-focusing sector field mass spectrometer at higher mass resolution or by collision-induced reactions of polyatomic ions with a collision gas using an ICP-MS fitted with collision cell. The main problem of LA-ICP-MS is quantification if no suitable standard reference materials with a similar matrix composition are available. The calibration problem in LA-ICP-MS can be solved using on-line solution-based calibration, and different procedures, such as external calibration and standard addition, have been discussed with respect to their application in materials science. The application of isotope dilution in solution-based calibration for trace metal determination in small amounts of noble metals has been developed as a new calibration strategy. This review discusses new

  11. Resonant enhanced parallel-T topology for weak coupling wireless power transfer pickup applications

    Directory of Open Access Journals (Sweden)

    Yao Guo

    2015-07-01

    Full Text Available For the wireless power transfer (WPT system, the transfer performance and the coupling coefficient are contradictory. In this paper, a novel parallel-T resonant topology consists of a traditional parallel circuit and a T-matching network for secondary side is proposed. With this method, a boosted voltage can be output to the load, since this topology has a resonant enhancement effect, and high Q value can be obtained at a low resonant frequency and low coil inductance. This feature makes it more suitable for weak coupling WPT applications. Besides, the proposed topology shows good frequency stability and adaptability to variations of load. Experimental results show that the output voltage gain improves by 757% compared with traditional series circuit, and reaches 85% total efficiency when the coupling coefficient is 0.046.

  12. Effect of practical application of intimate relationship skills program in marital commitment of couples

    Directory of Open Access Journals (Sweden)

    Bahareh Chitsazzadeh Alaf

    2017-06-01

    Full Text Available Nowadays, due to the increasing rate of divorce and betrayals, the marital commitment has been concerned in marriage and family studies. The research aimed to evaluate the effect of Practical Application of Intimate Relationship Skills (PAIRS program in marital commitment of couples. The method was quasi-experimental and the design was pretest-posttest with a control group. The convenience sampling method was employed to choose 16 couples whose marital commitment score was below the mean in Isfahan, Iran. These couples were randomly assigned to the experimental and control groups (N=8 in each group. Data gathering was carried out using Adams and Jones dimensions of commitment inventory (DCI that was filled out by the members of both groups in the pretest stage. Then, the experimental group received the PAIRS training program in thirteen 90-minute sessions. 35 percent of the total variance belongs to the group membership due to the effectiveness of this educational program. This educational program attempts to make couples aware of themselves and their spouses, enhance, intimacy and empathy and develop effective relationship skills and problem-solving skills. The results demonstrated that the PAIRS program showed a positive effect on marital commitment. Hence, the PAIRS program can be employed to prevent divorce by increasing marital commitment in couples.

  13. Qualification of the coupled RELAP5/PANTHER/COBRA code package for licensing applications

    International Nuclear Information System (INIS)

    Schneidesch, C.R.; Zhang Jinzhao

    2004-01-01

    A coupled thermal hydraulics-neutronics code package has been developed at Tractebel Engineering (TE), in which the best-estimate thermal-hydraulic system code, RELAP5/mod2.5, is coupled with the full three-dimensional reactor core kinetics code, PANTHER, via the dynamic data exchange interface, TALINK. The Departure from Nucleate Boiling Ratio (DNBR) is calculated by the sub-channel thermal-hydraulic analysis code COBRA-3C. The package provides the capability to accurately simulate the key physical phenomena in nuclear power plant accidents with strong asymmetric behaviours and system-core interactions. This paper presents the TE coupled code package and focuses on the methodology followed for qualifying it for licensing applications. The qualification of the coupling demonstrated the robustness achieved by the combined 3-D neutron kinetics/system T-H code package for transient simulations. The coupled TE code package has been qualified and will be used at Tractebel Engineering (TE) for analyzing asymmetric PWR accidents with strong core-system interactions

  14. Heterogeneous redox reactions in groundwater flow systems - Investigation and application of two different coupled codes

    Energy Technology Data Exchange (ETDEWEB)

    Pfingsten, W.; Carnahan, C.L. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1995-05-01

    Two simulators of reactive chemical transport are applied to a set of problems involving heterogeneous reactions of uranium species. The simulators use similar algorithms to compute the heterogeneous chemical equilibria, but they use different approaches to the computation of solute transport and to the coupling of transport with chemical reactions. One simulator (MCOTAC) sequentially couples calculations of static chemical equilibria to a random-walk simulation of solute advection and dispersion. The other simulator (THCC) directly couples mass action relations for chemical equilibria to finite-difference representations of the solute transport equations. The aim of the comparison was to demonstrate the applicability of the newly developed code MCOTAC to redox problems, and to identify and investigate general differences between the two types of codes within these applications. The chosen heterogeneous redox systems are hypothetically generate systems which provide numerical difficulties within the coupled code calculation. Uranium, an important component of heterogeneous redox systems consisting of uraniferous solids and natural groundwaters, was chosen as a main component in the example redox systems because of practical interest for performance assessment of geological repositories for nuclear wastes. The calculations show reasonable agreement, in general, between the two computational approaches. Specific areas of disagreement arise from numerical difficulties to each approach. Such `benchmarking` can enhance confidence in the overall performance of individual simulators while identifying aspects that may require further investigations and possible modifications. (author) figs., tabs., 7 refs.

  15. The coupling of the neutron transport application RATTLESNAKE to the nuclear fuels performance application BISON under the MOOSE framework

    Energy Technology Data Exchange (ETDEWEB)

    Gleicher, Frederick N.; Williamson, Richard L.; Ortensi, Javier; Wang, Yaqi; Spencer, Benjamin W.; Novascone, Stephen R.; Hales, Jason D.; Martineau, Richard C.

    2014-10-01

    The MOOSE neutron transport application RATTLESNAKE was coupled to the fuels performance application BISON to provide a higher fidelity tool for fuel performance simulation. This project is motivated by the desire to couple a high fidelity core analysis program (based on the self-adjoint angular flux equations) to a high fidelity fuel performance program, both of which can simulate on unstructured meshes. RATTLESNAKE solves self-adjoint angular flux transport equation and provides a sub-pin level resolution of the multigroup neutron flux with resonance treatment during burnup or a fast transient. BISON solves the coupled thermomechanical equations for the fuel on a sub-millimeter scale. Both applications are able to solve their respective systems on aligned and unaligned unstructured finite element meshes. The power density and local burnup was transferred from RATTLESNAKE to BISON with the MOOSE Multiapp transfer system. Multiple depletion cases were run with one-way data transfer from RATTLESNAKE to BISON. The eigenvalues are shown to agree well with values obtained from the lattice physics code DRAGON. The one-way data transfer of power density is shown to agree with the power density obtained from an internal Lassman-style model in BISON.

  16. Communication: Biological applications of coupled-cluster frozen-density embedding

    Science.gov (United States)

    Heuser, Johannes; Höfener, Sebastian

    2018-04-01

    We report the implementation of the Laplace-transform scaled opposite-spin (LT-SOS) resolution-of-the-identity second-order approximate coupled-cluster singles and doubles (RICC2) combined with frozen-density embedding for excitation energies and molecular properties. In the present work, we furthermore employ the Hartree-Fock density for the interaction energy leading to a simplified Lagrangian which is linear in the Lagrangian multipliers. This approximation has the key advantage of a decoupling of the coupled-cluster amplitude and multipliers, leading also to a significant reduction in computation time. Using the new simplified Lagrangian in combination with efficient wavefunction models such as RICC2 or LT-SOS-RICC2 and density-functional theory (DFT) for the environment molecules (CC2-in-DFT) enables the efficient study of biological applications such as the rhodopsin and visual cone pigments using ab initio methods as routine applications.

  17. Study of Robust H∞ Filtering Application in Loosely Coupled INS/GPS System

    Directory of Open Access Journals (Sweden)

    Lin Zhao

    2014-01-01

    model, unstable model case is considered. We give an explanation for Kalman filter divergence under uncertain dynamic system and simultaneously investigate the relationship between H∞ filter and Kalman filter. A loosely coupled INS/GPS simulation system is given here to verify this application. Result shows that the robust H∞ filter has a better performance when system suffers uncertainty; also it is more robust compared to the conventional Kalman filter.

  18. The application of charge-coupled device processors in automatic-control systems

    Science.gov (United States)

    Mcvey, E. S.; Parrish, E. A., Jr.

    1977-01-01

    The application of charge-coupled device (CCD) processors to automatic-control systems is suggested. CCD processors are a new form of semiconductor component with the unique ability to process sampled signals on an analog basis. Specific implementations of controllers are suggested for linear time-invariant, time-varying, and nonlinear systems. Typical processing time should be only a few microseconds. This form of technology may become competitive with microprocessors and minicomputers in addition to supplementing them.

  19. High Power Combiner/Divider with Coupled Lines for Broadband Applications

    Science.gov (United States)

    2017-03-20

    novel isolation structure will also be presented. I. INTRODUCTION Power divider/combiners are traditionally used in the development of high power ...a novel Gysel divider/combiner structure have been demonstrated. The divider/combiner are applicable to various high- power , broadband radar, EW...Gysel Power Divider With Arbitrary Power Ratios and Filtering Responses Using Coupling Structure ,” IEEE Transactions on Microwave Theory and Tech., vol

  20. Reference tissue modeling with parameter coupling: application to a study of SERT binding in HIV

    Energy Technology Data Exchange (ETDEWEB)

    Endres, Christopher J; Pomper, Martin G [Russell H Morgan Department of Radiology and Radiological Science, Johns Hopkins Medical Institutions, Baltimore, MD 21231 (United States); Hammoud, Dima A, E-mail: endres@jhmi.edu [Radiology and Imaging Sciences, National Institutes of Health/Clinical Center, Bethesda, MD (United States)

    2011-04-21

    When applicable, it is generally preferred to evaluate positron emission tomography (PET) studies using a reference tissue-based approach as that avoids the need for invasive arterial blood sampling. However, most reference tissue methods have been shown to have a bias that is dependent on the level of tracer binding, and the variability of parameter estimates may be substantially affected by noise level. In a study of serotonin transporter (SERT) binding in HIV dementia, it was determined that applying parameter coupling to the simplified reference tissue model (SRTM) reduced the variability of parameter estimates and yielded the strongest between-group significant differences in SERT binding. The use of parameter coupling makes the application of SRTM more consistent with conventional blood input models and reduces the total number of fitted parameters, thus should yield more robust parameter estimates. Here, we provide a detailed evaluation of the application of parameter constraint and parameter coupling to [{sup 11}C]DASB PET studies. Five quantitative methods, including three methods that constrain the reference tissue clearance (k{sup r}{sub 2}) to a common value across regions were applied to the clinical and simulated data to compare measurement of the tracer binding potential (BP{sub ND}). Compared with standard SRTM, either coupling of k{sup r}{sub 2} across regions or constraining k{sup r}{sub 2} to a first-pass estimate improved the sensitivity of SRTM to measuring a significant difference in BP{sub ND} between patients and controls. Parameter coupling was particularly effective in reducing the variance of parameter estimates, which was less than 50% of the variance obtained with standard SRTM. A linear approach was also improved when constraining k{sup r}{sub 2} to a first-pass estimate, although the SRTM-based methods yielded stronger significant differences when applied to the clinical study. This work shows that parameter coupling reduces the

  1. Predictive modeling of coupled multi-physics systems: II. Illustrative application to reactor physics

    International Nuclear Information System (INIS)

    Cacuci, Dan Gabriel; Badea, Madalina Corina

    2014-01-01

    Highlights: • We applied the PMCMPS methodology to a paradigm neutron diffusion model. • We underscore the main steps in applying PMCMPS to treat very large coupled systems. • PMCMPS reduces the uncertainties in the optimally predicted responses and model parameters. • PMCMPS is for sequentially treating coupled systems that cannot be treated simultaneously. - Abstract: This work presents paradigm applications to reactor physics of the innovative mathematical methodology for “predictive modeling of coupled multi-physics systems (PMCMPS)” developed by Cacuci (2014). This methodology enables the assimilation of experimental and computational information and computes optimally predicted responses and model parameters with reduced predicted uncertainties, taking fully into account the coupling terms between the multi-physics systems, but using only the computational resources that would be needed to perform predictive modeling on each system separately. The paradigm examples presented in this work are based on a simple neutron diffusion model, chosen so as to enable closed-form solutions with clear physical interpretations. These paradigm examples also illustrate the computational efficiency of the PMCMPS, which enables the assimilation of additional experimental information, with a minimal increase in computational resources, to reduce the uncertainties in predicted responses and best-estimate values for uncertain model parameters, thus illustrating how very large systems can be treated without loss of information in a sequential rather than simultaneous manner

  2. Applicability of coupled code RELAP5/GOTHIC to NPP Krsko MSLB calculation

    International Nuclear Information System (INIS)

    Keco, M.; Debrecin, N.; Grgic, D.

    2005-01-01

    Usual way to analyze Main Steam Line Break (MSLB) accident in PWR plants is to calculate core and containment responses in two separate calculations. In first calculation system code is used to address behaviour of nuclear steam supply system and containment is modelled mainly as a boundary condition. In second calculation mass and energy release data are used to perform containment analysis. Coupled code R5G realized by direct explicit coupling of system code RELAP5/MOD3.3 and containment code GOTHIC is able to perform both calculations simultaneously. In this paper R5G is applied to calculation of MSLB accident in large dry containment of NPP Krsko. Standard separate calculation is performed first and then both core and containment responses are compared against corresponding coupled code results. Two versions of GOTHIC code are used, one old ver 3.4e and the last one ver 7.2. As expected, differences between standard procedure and coupled calculations are small. The performed analyses showed that classical uncoupled approach is applicable in case of large dry containment calculation, but that new approach can bring some additional insight in understanding of the transient and that can be used as simple and reliable procedure in performing MSLB calculation without any significant calculation overhead. (author)

  3. Application of neuronavigator coupled with an operative microscope and electrocorticography in epilepsy surgery.

    Science.gov (United States)

    Cho, Der-Yang; Lee, Wuen-Yen; Lee, Han-Chung; Chen, Chun-Chung; Tso, Meilan

    2005-11-01

    Application of neuronavigator coupled with an operative microscope and electrocorticography (ECoG) is a new trial for epilepsy surgery for achieving better seizure outcome and better efficiency for lesionectomy. We used a neuronavigator coupled with a microscope to delineate the magnetic resonance image-detected lesion for lesionectomy and used ECoG for evaluation of the epileptogenic foci. There were 46 patients with medically intractable partial seizures who underwent craniotomy for epilepsy surgery. Half of the patients had lesions at the temporal lobe and another half at the extratemporal lobe. Sixty-one percent of the patients were seizure-free (grade I) and 22% were nearly seizure-free (grade II). Overall, 83% of the patients had satisfactory seizure control. Complete lesion removal was successful in 37 patients (80%). For lesions with requiring complete removal, neuronavigator coupled with a microscope was 95% effective for lesionectomy. Class A of postresection ECoG had a higher rate of seizure-free outcome (92%) (P neuronavigator and ECoG (additional cortical resection) is usually necessary for temporal lobe lesions. All patients with cavernous hemangioma were seizure-free. The complication rate in our study was 8.7%. Neuronavigator coupled with a microscope provides efficacy and safety to complete lesionectomy, which is a key point of seizure outcome. Intraoperative ECoG is valuable for evaluating the epileptogenic foci for epilepsy surgery especially for lesions at the temporal lobe.

  4. Formulation, stability and application of a semi-coupled 3-D four-field algorithm

    International Nuclear Information System (INIS)

    Kunz, R.F.; Siebert, B.W.; Cope, W.K.; Foster, N.F.; Antal, S.P.; Ettorre, S.M.

    1996-06-01

    A new 3-D four-field algorithm has been developed to predict general two-phase flows. Ensemble averaged transport equations of mass, momentum, energy and turbulence transport are solved for each field (continuous liquid, continuous vapor, disperse liquid, disperse vapor). This four-field structure allows for analysis of adiabatic and boiling systems which contain flow regimes from bubbly through annular. Interfacial mass, momentum, turbulence and heat transfer models provide coupling between phases. A new semi-coupled implicit method is utilized to solve the set of 25 equations which arise in the formulation. In this paper, three important component numerical strategies employed in the method are summarized. These include: (1) incorporation of interfacial momentum force terms in the control volume face flux reconstruction, (2) phase coupling at the linear solver level, and in the pressure-velocity coupling itself and (3) a multi-step Jacobi block correction scheme for efficient solution of the pressure-Poisson equation. The necessity/effectiveness of these strategies is demonstrated in applications to realistic engineering flows. Though some heated flow test cases are considered, the particular numerics discussed here are germane to adiabatic flows with and without mass transfer

  5. Inductively coupled plasma emission spectroscopy. Part II: applications and fundamentals. Volume 2

    International Nuclear Information System (INIS)

    Boumans, P.W.J.M.

    1987-01-01

    This is the second part of the two-volume treatise by this well-known and respected author. This volume reviews applications of inductively coupled plasma atomic emission spectroscopy (ICP-AES), summarizes fundamental studies, and compares ICP-AES methods with other methods of analysis. The first six chapters are devoted to specific fields of application, including the following: metals and other industrial materials, geology, the environment, agriculture and food, biology and clinical analysis, and organic materials. The chapter on the analysis of organic materials also covers the special instrumental considerations required when organic solvents are introduced into an inductively coupled plasma. A chapter on the direct analysis of solids completes the first part of this volume. Each of the applications chapters begins with a summary of the types of samples that are encountered in that field, and the kinds of problems that an elemental analysis can help to solve. This is followed by a tutorial approach covering applicability, advantages, and limitations of the methods. The coverage is thorough, including sample handling, storage, and preparation, acid, and fusion dissolution, avoiding contamination, methods of preconcentration, the types of interferences that can be expected and ways to reduce them, and the types of ICP plasmas that are used. The second half of the volume covers fundamental studies of ICP-AES: basic processes of aerosol generation, plasma modeling and computer simulation, spectroscopic diagnostics, excitation mechanisms, and discharge characteristics. This section introduces the experimental and modeling methods that have been used to obtain fundamental information about ICPs

  6. The Relationship Between Interpersonal Cognitive Distortions and Attribution Styles Among Divorce Applicant Couples and its Impact on Sexual Satisfaction.

    Science.gov (United States)

    Mahdoodizaman, Morteza; Razaghi, Samira; Amirsardari, Lili; Hobbi, Omran; Ghaderi, Davod

    2016-09-01

    The current study aimed to investigate the relationship between cognitive distortions and attribution styles among divorce applicant couples and its impact on sexual satisfaction. It was a cross-sectional study and its statistical samples were 55 divorce applicant couples (110 individuals) referred to Urmia courts, Urmia, Iran, from 2012 to 2013. The required data were gathered by interpersonal cognitive distortions, Larson sexual satisfaction and attribution style questionnaire. The findings of the research indicated the existence of a significant relationship between attribution styles for pleasant events and cognitive distortions. The results showed that an increasing amount of pleasant events reduces cognitive distortions among the divorce applicant couples (P divorced couples. As stable-unstable variables increase (P factors affecting satisfaction or dissatisfaction in couples who are living together (sexual satisfaction is one of its main elements).

  7. Comparative analysis of coupled creep-damage model implementations and application

    International Nuclear Information System (INIS)

    Bhandari, S.; Feral, X.; Bergheau, J.M.; Mottet, G.; Dupas, P.; Nicolas, L.

    1998-01-01

    Creep rupture of a reactor pressure vessel in a severe accident occurs after complex load and temperature histories leading to interactions between creep deformations, stress relaxation, material damaging and plastic instability. The concepts of continuous damage introduced by Kachanov and Robotnov allow to formulate models coupling elasto-visco-plasticity and damage. However, the integration of such models in a finite element code creates some difficulties related to the strong non-linearity of the constitutive equations. It was feared that different methods of implementation of such a model might lead to different results which, consequently, might limit the application and usefulness of such a model. The Commissariat a l'Energie Atomique (CEA), Electricite de France (EDF) and Framasoft (FRA) have worked out numerical solutions to implement such a model in respectively CASTEM 2000, ASTER and SYSTUS codes. A ''benchmark'' was set up, chosen on the basis of a cylinder studied in the programme ''RUPTHER''. The aim of this paper is not to enter into the numerical details of the implementation of the model, but to present the results of the comparative study made using the three codes mentioned above, on a case of engineering interest. The results of the coupled model will also be compared to an uncoupled model to evaluate differences one can obtain between a simple uncoupled model and a more sophisticated coupled model. The main conclusion drawn from this study is that the different numerical implementations used for the coupled damage-visco-plasticity model give quite consistent results. The numerical difficulty inherent to the integration of the strongly non-linear constitutive equations have been resolved using Runge-Kutta or mid-point rule. The usefulness of the coupled model comes from the fact the uncoupled model leads to too conservative results, at least in the example treated and in particular for the uncoupled analysis under the hypothesis of the small

  8. Warthog: A MOOSE-Based Application for the Direct Code Coupling of BISON and PROTEUS

    Energy Technology Data Exchange (ETDEWEB)

    McCaskey, Alexander J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Slattery, Stuart [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Billings, Jay Jay [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-09-01

    The Nuclear Energy Advanced Modeling and Simulation (NEAMS) program from the Department of Energy's Office of Nuclear Energy provides a robust toolkit for the modeling and simulation of current and future advanced nuclear reactor designs. This toolkit provides these technologies organized across product lines: two divisions targeted at fuels and end-to-end reactor modeling, and a third for integration, coupling, and high-level workflow management. The Fuels Product Line and the Reactor Product line provide advanced computational technologies that serve each respective field well, however, their current lack of integration presents a major impediment to future improvements of simulation solution fidelity. There is a desire for the capability to mix and match tools across Product Lines in an effort to utilize the best from both to improve NEAMS modeling and simulation technologies. This report details a new effort to provide this Product Line interoperability through the development of a new application called Warthog. This application couples the BISON Fuel Performance application from the Fuels Product Line and the PROTEUS Core Neutronics application from the Reactors Product Line in an effort to utilize the best from all parts of the NEAMS toolkit and improve overall solution fidelity of nuclear fuel simulations. To achieve this, Warthog leverages as much prior work from the NEAMS program as possible, and in doing so, enables interoperability between the disparate MOOSE and SHARP frameworks, and the libMesh and MOAB mesh data formats. This report describes this work in full. We begin with a detailed look at the individual NEAMS framework technologies used and developed in the various Product Lines, and the current status of their interoperability. We then introduce the Warthog application: its overall architecture and the ways it leverages the best existing tools from across the NEAMS toolkit to enable BISON-PROTEUS integration. Furthermore, we show how

  9. Application of coupled affinity-sizing chromatography for the detection of proteolyzed HSA-tagged proteins.

    Science.gov (United States)

    London, Anne Serdakowski; Patel, Kunal; Quinn, Lisa; Lemmerer, Martin

    2015-04-01

    Coupled affinity liquid chromatography and size exclusion chromatography (ALC-SEC) is a technique that has been shown to successfully report product quality of proteins during cell expression and prior to the commencement of downstream processing chromatography steps. This method was applied to monitoring the degradation and subsequent partial remediation of a HSA-tagged protein which showed proteolysis, allowing for rapid cell line development to address this product quality dilemma. This paper outlines the novel application of this method for measuring and addressing protease-induced proteolysis. Copyright © 2014 Elsevier Inc. All rights reserved.

  10. Application of the Arbitrarily High Order Method to Coupled Electron Photon Transport

    International Nuclear Information System (INIS)

    Duo, Jose Ignacio

    2004-01-01

    This work is about the application of the Arbitrary High Order Nodal Method to coupled electron photon transport.A Discrete Ordinates code was enhanced and validated which permited to evaluate the advantages of using variable spatial development order per particle.The results obtained using variable spatial development and adaptive mesh refinement following an a posteriori error estimator are encouraging.Photon spectra for clinical accelerator target and, dose and charge depositio profiles are simulated in one-dimensional problems using cross section generated with CEPXS code.Our results are in good agreement with ONELD and MCNP codes

  11. Coupling finite elements and reliability methods - application to safety evaluation of pressurized water reactor vessels

    International Nuclear Information System (INIS)

    Pitner, P.; Venturini, V.

    1995-02-01

    When reliability studies are extended form deterministic calculations in mechanics, it is necessary to take into account input parameters variabilities which are linked to the different sources of uncertainty. Integrals must then be calculated to evaluate the failure risk. This can be performed either by simulation methods, or by approximations ones (FORM/SORM). Model in mechanics often require to perform calculation codes. These ones must then be coupled with the reliability calculations. Theses codes can involve large calculation times when they are invoked numerous times during simulations sequences or in complex iterative procedures. Response surface method gives an approximation of the real response from a reduced number of points for which the finite element code is run. Thus, when it is combined with FORM/SORM methods, a coupling can be carried out which gives results in a reasonable calculation time. An application of response surface method to mechanics reliability coupling for a mechanical model which calls for a finite element code is presented. It corresponds to a probabilistic fracture mechanics study of a pressurized water reactor vessel. (authors). 5 refs., 3 figs

  12. Models of Coupled Settlement and Habitat Networks for Biodiversity Conservation: Conceptual Framework, Implementation and Potential Applications

    Directory of Open Access Journals (Sweden)

    Maarten J. van Strien

    2018-04-01

    on potential applications of models of coupled settlement and habitat networks in the development of complex network theory, in the assessment of system resilience and in conservation, transport and urban planning. The development of coupled settlement and habitat network models is important to gain a better system-level understanding of biodiversity conservation under a rapidly urbanizing and growing human population.

  13. Charge and field coupling phenomena at metal-oxide interfaces and their applications

    Science.gov (United States)

    Voora, Venkata M.

    Heterostructures composed of polar materials, such as ferroelectric and/or piezoelectric, are interesting due to their interface lattice charge coupling (LCC) effects. In this thesis, coupling effects between switchable ferroelectric and non-switchable piezoelectric semiconductor spontaneous polarizations are addressed. Also discussed is a dielectric continuum model approach for studying LCC effects in double layer piezoelectric semiconductor-ferroelectric and triple layer piezoelectric semiconductor-ferroelectric-piezoelectric semiconductor heterostructures. The dielectric continuum model augments the effects of electric field driven switchable polarization due to LCC with depletion layer formation in semiconductor heterostructures. Electrical investigations were used to study a reference single layer (BaTiO3), a double layer (BaTiO3-ZnO), and a triple layer (ZnO-BaTiO 3-ZnO) heterostructure grown by pulsed laser deposition. The coupling between the non-switchable spontaneous polarization of ZnO and the electrically switchable spontaneous polarization of BaTiO3 causes strong asymmetric polarization hysteresis behavior. The n-type ZnO layer within double and triple layered heterostructures reveals hysteresis-dependent capacitance variations upon formation of depletion layers at the ZnO/BaTiO 3 interfaces. Model analysis show very good agreement between the generated data and the experimental results. The dielectric continuum model approach allows for the derivation of the amount and orientation of the spontaneous polarization of the piezoelectric constituents, and can be generalized towards multiple layer piezoelectric semiconductor-ferroelectric heterostructures. Based on experimental results the polarization coupled ZnO-BaTiO 3-ZnO heterostructures is identified as a two-terminal unipolar ferroelectric bi-junction transistor which can be utilized in memory storage devices. Furthermore it is discussed, that the triple layer heterostructure with magnetically

  14. Preliminary Development of the MARS/FREK Spatial Kinetics Coupled System Code for Square Fueled Fast Reactor Applications

    International Nuclear Information System (INIS)

    Bae, Moo Hoon; Joo, Han Gyu

    2009-01-01

    Incorporation of a three-dimensional (3-D) reactor kinetics model into a system thermal-hydraulic (T/H) code enhances the capability to perform realistic analyses of the core neutronic behavior and the plant system dynamics which are coupled each other. For this advantage, several coupled system T/H and spatial kinetics codes, such as RELAP/PARCS, RELAP5/ PANBOX, and MARS/MASTER have been developed. These codes, however, so far limited to LWR applications. The objective of this work is to develop such a coupled code for fast reactor applications. Particularly, applications to lead-bismuth eutectic (LBE) cooled fast reactor are of interest which employ open square lattices. A fast reactor kinetics code applicable to square fueled cores called FREK is coupled the LBE version of the MARS code. The MARS/MASTER coupled code is used as the reference for the integration. The coupled code MARS/FREK is examined for a conceptual reactor called P-DEMO which is being developed by NUTRECK. In order to check the validity of the coupled code, however, the OECD MSLB benchmark exercise III calculation is solved first

  15. Custom ceramic microchannel-cooled array for high-power fiber-coupled application

    Science.gov (United States)

    Junghans, Jeremy; Feeler, Ryan; Stephens, Ed

    2018-03-01

    A low-SWaP (Size, Weight and Power) diode array has been developed for a high-power fiber-coupled application. High efficiency ( 65%) diodes enable high optical powers while minimizing thermal losses. A large amount of waste heat is still generated and must be extracted. Custom ceramic microchannel-coolers (MCCs) are used to dissipate the waste heat. The custom ceramic MCC was designed to accommodate long cavity length diodes and micro-lenses. The coolers provide similar thermal performance as copper MCCs however they are not susceptible to erosion and can be cooled with standard filtered water. The custom ceramic micro-channel cooled array was designed to be a form/fit replacement for an existing copperbased solution. Each array consisted of three-vertically stacked MCCs with 4 mm CL, 976 nm diodes and beamshaping micro-optics. The erosion and corrosion resistance of ceramic array is intended to mitigate the risk of copperbased MCC corrosion failures. Elimination of the water delivery requirements (pH, resistivity and dissolved oxygen control) further reduces the system SWaP while maintaining reliability. The arrays were fabricated and fully characterized. This work discusses the advantages of the ceramic MCC technology and describes the design parameters that were tailored for the fiber-coupled application. Additional configuration options (form/fit, micro-lensing, alternate coolants, etc.) and on-going design improvements are also discussed.

  16. A Proposal of Client Application Architecture using Loosely Coupled Component Connection Method in Banking Branch System

    Science.gov (United States)

    Someya, Harushi; Mori, Yuichi; Abe, Masahiro; Machida, Isamu; Hasegawa, Atsushi; Yoshie, Osamu

    Due to the deregulation of financial industry, the branches in banking industry need to shift to the sales-oriented bases from the operation-oriented bases. For corresponding to this movement, new banking branch systems are being developed. It is the main characteristics of new systems that we bring the form operations that have traditionally been performed at each branch into the centralized operation center for the purpose of rationalization and efficiency of the form operations. The branches treat a wide variety of forms. The forms can be described by common items in many cases, but the items include the different business logic and each form has the different relation among the items. And there is a need to develop the client application by user oneself. Consequently the challenge is to arrange the development environment that is high reusable, easy customizable and user developable. We propose a client application architecture that has a loosely coupled component connection method, and allows developing the applications by only describing the screen configurations and their transitions in XML documents. By adopting our architecture, we developed client applications of the centralized operation center for the latest banking branch system. Our experiments demonstrate good performances.

  17. THE APPLICATION OF MAMMOTH FOR A DETAILED TIGHTLY COUPLED FUEL PIN SIMULATION WITH A STATION BLACKOUT

    Energy Technology Data Exchange (ETDEWEB)

    Gleicher, Frederick; Ortensi, Javier; DeHart, Mark; Wang, Yaqi; Schunert, Sebastian; Novascone, Stephen; Hales, Jason; Williamson, Rich; Slaughter, Andrew; Permann, Cody; Andrs, David; Martineau, Richard

    2016-09-01

    Accurate calculation of desired quantities to predict fuel behavior requires the solution of interlinked equations representing different physics. Traditional fuels performance codes often rely on internal empirical models for the pin power density and a simplified boundary condition on the cladding edge. These simplifications are performed because of the difficulty of coupling applications or codes on differing domains and mapping the required data. To demonstrate an approach closer to first principles, the neutronics application Rattlesnake and the thermal hydraulics application RELAP-7 were coupled to the fuels performance application BISON under the master application MAMMOTH. A single fuel pin was modeled based on the dimensions of a Westinghouse 17x17 fuel rod. The simulation consisted of a depletion period of 1343 days, roughly equal to three full operating cycles, followed by a station blackout (SBO) event. The fuel rod was depleted for 1343 days for a near constant total power loading of 65.81 kW. After 1343 days the fission power was reduced to zero (simulating a reactor shut-down). Decay heat calculations provided the time-varying energy source after this time. For this problem, Rattlesnake, BISON, and RELAP-7 are coupled under MAMMOTH in a split operator approach. Each system solves its physics on a separate mesh and, for RELAP-7 and BISON, on only a subset of the full problem domain. Rattlesnake solves the neutronics over the whole domain that includes the fuel, cladding, gaps, water, and top and bottom rod holders. Here BISON is applied to the fuel and cladding with a 2D axi-symmetric domain, and RELAP-7 is applied to the flow of the circular outer water channel with a set of 1D flow equations. The mesh on the Rattlesnake side can either be 3D (for low order transport) or 2D (for diffusion). BISON has a matching ring structure mesh for the fuel so both the power density and local burn up are copied accurately from Rattlesnake. At each depletion time

  18. Sub-channel/system coupled code development and its application to SCWR-FQT loop

    International Nuclear Information System (INIS)

    Liu, X.J.; Cheng, X.

    2015-01-01

    Highlights: • A coupled code is developed for SCWR accident simulation. • The feasibility of the code is shown by application to SCWR-FQT loop. • Some measures are selected by sensitivity analysis. • The peak cladding temperature can be reduced effectively by the proposed measures. - Abstract: In the frame of Super-Critical Reactor In Pipe Test Preparation (SCRIPT) project in China, one of the challenge tasks is to predict the transient performance of SuperCritical Water Reactor-Fuel Qualification Test (SCWR-FQT) loop under some accident conditions. Several thermal–hydraulic codes (system code, sub-channel code) are selected to perform the safety analysis. However, the system code cannot simulate the local behavior of the test bundle, and the sub-channel code is incapable of calculating the whole system behavior of the test loop. Therefore, to combine the merits of both codes, and minimizes their shortcomings, a coupled sub-channel and system code system is developed in this paper. Both of the sub-channel code COBRA-SC and system code ATHLET-SC are adapted to transient analysis of SCWR. Two codes are coupled by data transfer and data adaptation at the interface. In the new developed coupled code, the whole system behavior including safety system characteristic is analyzed by system code ATHLET-SC, whereas the local thermal–hydraulic parameters are predicted by the sub-channel code COBRA-SC. The codes are utilized to get the local thermal–hydraulic parameters in the SCWR-FQT fuel bundle under some accident case (e.g. a flow blockage during LOCA). Some measures to mitigate the accident consequence are proposed by the sensitivity study and trialed to demonstrate their effectiveness in the coupled simulation. The results indicate that the new developed code has good feasibility to transient analysis of supercritical water-cooled test. And the peak cladding temperature caused by blockage in the fuel bundle can be reduced effectively by the safety measures

  19. Sub-channel/system coupled code development and its application to SCWR-FQT loop

    Energy Technology Data Exchange (ETDEWEB)

    Liu, X.J., E-mail: xiaojingliu@sjtu.edu.cn [School of Nuclear Science and Engineering, Shanghai Jiao Tong University, 800 Dong Chuan Road, Shanghai 200240 (China); Cheng, X. [Institute of Fusion and Reactor Technology, Karlsruhe Institute of Technology, Vincenz-Prießnitz-Str. 3, 76131 Karlsruhe (Germany)

    2015-04-15

    Highlights: • A coupled code is developed for SCWR accident simulation. • The feasibility of the code is shown by application to SCWR-FQT loop. • Some measures are selected by sensitivity analysis. • The peak cladding temperature can be reduced effectively by the proposed measures. - Abstract: In the frame of Super-Critical Reactor In Pipe Test Preparation (SCRIPT) project in China, one of the challenge tasks is to predict the transient performance of SuperCritical Water Reactor-Fuel Qualification Test (SCWR-FQT) loop under some accident conditions. Several thermal–hydraulic codes (system code, sub-channel code) are selected to perform the safety analysis. However, the system code cannot simulate the local behavior of the test bundle, and the sub-channel code is incapable of calculating the whole system behavior of the test loop. Therefore, to combine the merits of both codes, and minimizes their shortcomings, a coupled sub-channel and system code system is developed in this paper. Both of the sub-channel code COBRA-SC and system code ATHLET-SC are adapted to transient analysis of SCWR. Two codes are coupled by data transfer and data adaptation at the interface. In the new developed coupled code, the whole system behavior including safety system characteristic is analyzed by system code ATHLET-SC, whereas the local thermal–hydraulic parameters are predicted by the sub-channel code COBRA-SC. The codes are utilized to get the local thermal–hydraulic parameters in the SCWR-FQT fuel bundle under some accident case (e.g. a flow blockage during LOCA). Some measures to mitigate the accident consequence are proposed by the sensitivity study and trialed to demonstrate their effectiveness in the coupled simulation. The results indicate that the new developed code has good feasibility to transient analysis of supercritical water-cooled test. And the peak cladding temperature caused by blockage in the fuel bundle can be reduced effectively by the safety measures

  20. Coupling integrated assessment and earth system models: concepts and an application to land use change

    Science.gov (United States)

    O'Neill, B. C.; Lawrence, P.; Ren, X.

    2016-12-01

    Collaboration between the integrated assessment modeling (IAM) and earth system modeling (ESM) communities is increasing, driven by a growing interest in research questions that require analysis integrating both social and natural science components. This collaboration often takes the form of integrating their respective models. There are a number of approaches available to implement this integration, ranging from one-way linkages to full two-way coupling, as well as approaches that retain a single modeling framework but improve the representation of processes from the other framework. We discuss the pros and cons of these different approaches and the conditions under which a two-way coupling of IAMs and ESMs would be favored over a one-way linkage. We propose a criterion that is necessary and sufficient to motivate two-way coupling: A human process must have an effect on an earth system process that is large enough to cause a change in the original human process that is substantial compared to other uncertainties in the problem being investigated. We then illustrate a test of this criterion for land use-climate interactions based on work using the Community Earth System Model (CESM) and land use scenarios from the Representative Concentration Pathways (RCPs), in which we find that the land use effect on regional climate is unlikely to meet the criterion. We then show an example of implementing a one-way linkage of land use and agriculture between an IAM, the integrated Population-Economy-Technology-Science (iPETS) model, and CESM that produces fully consistent outcomes between iPETS and the CESM land surface model. We use the linked system to model the influence of climate change on crop yields, agricultural land use, crop prices and food consumption under two alternative future climate scenarios. This application demonstrates the ability to link an IAM to a global land surface and climate model in a computationally efficient manner.

  1. An example of coupling behaviour-damage-environment in polycrystals. Application to Pellet-Cladding Interaction

    International Nuclear Information System (INIS)

    Diard, Olivier

    2001-01-01

    Zircaloy-4 cladding is the first containment barrier for fission products, and its integrity must therefore be ensured in nominal and accidental situations. However, stress corrosion induced cracks may appear due to a strong pellet-cladding interaction. It is therefore important to model this interaction and crack growth and propagation to establish non-damage criteria. Thus, this research thesis aims at developing a modelling covering both issues (pellet-cladding interaction, and stress corrosion cracking) and allowing macroscopic and microscopic scales to be coupled. After a bibliographical synthesis on iodine-induced stress corrosion cracking and similar phenomena, the author presents the model proposed for the pellet-cladding interaction: phenomena to be taken into account, phenomenological and macroscopic behaviour laws used respectively for pellet and cladding. An extended version of an existing cladding viscoplastic model is proposed. Stress and strain fields in the cladding are obtained, notably in the contact zone. In the next part, the author presents various numerical tools developed or used to model multi-crystalline aggregates, and the model of crystalline plasticity used to simulate cladding behaviour at the microstructure scale. Effects of mesh density, element types and anisotropic elasticity are also discussed. The next chapter addresses the mechanical-chemical coupling. Some coupling formulas are presented for simple cases in order to define the effective diffusion coefficient. The last part reports the modelling of intergranular damage: definition of a damage criterion at the granular scale, assessment of stresses at grain boundaries, and effect of crystallographic neighbouring. A model of grain boundary damage is also proposed. This model is assessed on Failure Mechanics test samples and on simple microstructures. The application of the whole numerical model is reported [fr

  2. Systematic analysis and experiment of inductive coupling and induced voltage for inductively coupled wireless implantable neurostimulator application

    International Nuclear Information System (INIS)

    Xue, Ning; Cho, Sung-Hoon; Chang, Sung-Pil; Lee, Jeong-Bong

    2012-01-01

    The main strategy for wireless power transfer to implantable devices is to use inductive coupling technology. The induced voltage of implanted devices highly depends on factors such as mutual inductance between the external transmitter coil and the receiver coil, quality factor of the receiver circuit and operation frequency. In this paper, the mutual inductance under a variety of geometries of external coil and under the condition of different vertical distances, lateral displacements and angular misalignments between two coils were theoretically calculated and simulated. To ascertain the condition of maximum power transmission for certain coils’ position requirements, an LC tank (2.7 mm × 2 mm) consisting of a microfabricated gold inductor coil and a small surface mounted capacitor was designed and fabricated as the telemetric part of a neurostimulator. The induced voltage of the LC tank was measured in both air and artificial tissue media under different sizes of power coil and operation frequencies. As a result, the optimum size of a transmitter coil is selected to be of 4 mm inner radius with six turns of coil, while the whole coupling system operates at 94 MHz resonant frequency within 5–11 mm vertical distance, 0–4 mm lateral and 0°–50° angular misalignment between two coils. With the change of the above coils’ positions, the measured induced voltage drops within 30%, satisfying the surgical requirement for neurostimulator implantation. (paper)

  3. Signal coupling and signal integrity in multi-strip resistive plate chambers used for timing applications

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Diaz, Diego, E-mail: D.Gonzalez-Diaz@gsi.de [GSI Helmholtzcenter for Heavy Ion Research, Darmstadt (Germany); Technical University, Darmstadt (Germany); Department of Engineering Physics, Tsinghua University, Beijing (China); Chen Huangshan; Wang Yi [Technical University, Darmstadt (Germany)

    2011-08-21

    We have systematically studied the transmission of electrical signals along several 2-strip Resistive Plate Chambers (RPCs) in the frequency range f=0.1-3.5GHz. Such a range was chosen to fully cover the bandwidth associated to the very short rise-times of signals originated in RPCs used for sub-100 ps timing applications. This work conveys experimental evidence of the dominant role of modal dispersion in counters built at the 1 m scale, a fact that results in large cross-talk levels and strong signal shaping. It is shown that modal dispersion appears in RPCs due to their inherent unbalance between capacitive and inductive coupling. A practical way to restore this symmetry has been introduced (hereafter 'electrostatic compensation'), allowing for a cross-talk suppression factor up to x12 and a rise-time reduction by 200 ps. Under conditions of compensation the signal transmission is only limited by dielectric losses, yielding a length-dependent cutoff frequency of around 1 GHz for propagation along 2 m in typical float glass-based RPCs. It is further shown that 'electrostatic compensation' can be achieved for an arbitrary number of strips as long as the nature of the coupling is 'short-range', that is an almost exact assumption for typical strip-line RPCs. This work extends the bandwidth of previous studies by a factor ofx20.

  4. Applicability of Coupled Thermalhydraulic Codes for Safety Analysis of Nuclear Reactors

    International Nuclear Information System (INIS)

    Gairola, A.; Bhowmik, P. K.; Shamim, J. A.; Suh, K. Y.

    2014-01-01

    To this end computational codes like RELAP and TRACE are used to model thermal-hydraulic response of nuclear power plant during an accident. By careful modeling and significant user experience these system codes are able to simulate the behavior of primary system and the containment to a reasonable extent. Comparatively decoupled simulation is simple but might not produce reality and the physics involved in an accurate manner. Thus simulation using two different system codes is interesting as the whole system is coupled through the pressure in the containment and flow through the break. Using this methodology it might be possible to get new insight about the primary and containment behavior by the precise simulation of the accident both in the current reactors and future Gen-III/III+ reactors. Couple thermalhydraulic code methodology is still new and require further investigations. Applicability of such methodology to the GEN-II plants have met with limited success, however a number of situations in which this methodology could be applied are still unexplored and thus provides a room for improvement and modifications

  5. Applicability of Coupled Thermalhydraulic Codes for Safety Analysis of Nuclear Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Gairola, A.; Bhowmik, P. K.; Shamim, J. A.; Suh, K. Y. [Seoul National Univ., Seoul (Korea, Republic of)

    2014-10-15

    To this end computational codes like RELAP and TRACE are used to model thermal-hydraulic response of nuclear power plant during an accident. By careful modeling and significant user experience these system codes are able to simulate the behavior of primary system and the containment to a reasonable extent. Comparatively decoupled simulation is simple but might not produce reality and the physics involved in an accurate manner. Thus simulation using two different system codes is interesting as the whole system is coupled through the pressure in the containment and flow through the break. Using this methodology it might be possible to get new insight about the primary and containment behavior by the precise simulation of the accident both in the current reactors and future Gen-III/III+ reactors. Couple thermalhydraulic code methodology is still new and require further investigations. Applicability of such methodology to the GEN-II plants have met with limited success, however a number of situations in which this methodology could be applied are still unexplored and thus provides a room for improvement and modifications.

  6. An electromechanically coupled micro-sphere framework: application to the finite element analysis of electrostrictive polymers

    International Nuclear Information System (INIS)

    Thylander, Sara; Menzel, Andreas; Ristinmaa, Matti

    2012-01-01

    The number of industrial applications of electroactive polymers (EAPs) is increasing and, consequently, the need for reliable modelling frameworks for such materials as well as related robust simulation techniques continuously increases. In this context, we combine the modelling of non-linear electroelasticity with a computational micro-sphere formulation in order to simulate the behaviour of EAPs. The micro-sphere approach in general enables the use of physics-based constitutive models like, for instance, the so-called worm-like chain model. By means of the micro-sphere formulation, scalar-valued micromechanical constitutive relations can conveniently be extended to a three-dimensional continuum setting. We discuss several electromechanically coupled numerical examples and make use of the finite element method to solve inhomogeneous boundary value problems. The incorporated material parameters are referred to experimental data for an electrostrictive polymer. The numerical examples show that the coupled micro-sphere formulation combined with the finite element method results in physically sound simulations that mimic the behaviour of an electrostrictive polymer. (paper)

  7. Coupled-Multiplier Accelerator Produces High-Power Electron Beams for Industrial Applications

    International Nuclear Information System (INIS)

    Hatridge, M.; McIntyre, P.; Roberson, S.; Sattarov, A.; Thomas, E.; Meitzler, Charles

    2003-01-01

    The coupled multiplier is a new approach to efficient generation of MeV d.c. power for accelerator applications. High voltage is produced by a series of modules, each of which consists of a high-power alternator, step-up transformer, and 3-phase multiplier circuit. The alternators are connected mechanically along a rotating shaft, and connected by insulating flexible couplers. This approach differs from all previous d.c. technologies in that power is delivered to the various stages of the system mechanically, rather than through capacitive or inductive electrical coupling. For this reason the capital cost depends linearly on required voltage and power, rather than quadratically as with conventional technologies. The CM technology enables multiple electron beams to be driven within a common supply and insulating housing. MeV electron beam is extremely effective in decomposing organic contaminants in water. A 1 MeV, 100 kW industrial accelerator using the CM technology has been built and is being installed for treatment of wastewater at a petrochemical plant

  8. Inductively coupled hydrogen plasma processing of AZO thin films for heterojunction solar cell applications

    International Nuclear Information System (INIS)

    Zhou, H.P.; Xu, S.; Zhao, Z.; Xiang, Y.

    2014-01-01

    Highlights: • A high-density plasma reactor of inductively coupled plasma source is used in this work. • The conductivity and transmittance can be enhanced simultaneously in the hydrogen process. • The formation of additional donors and passivation due to the hydrogen plasma processing. • The photovoltaic improvement due to the improved AZO layer and hetero-interface quality in the solar cells. - Abstract: Al-doped ZnO (AZO) thin films deposited by means of RF magnetron sputtering were processed in a low frequency inductively coupled plasma of H 2 , aiming at heterojunction (HJ) solar cell applications. A variety of characterization results show that the hydrogen plasma processing exerts a significant influence on the microstructures, electrical and optical properties of the AZO films. The incorporation of hydrogen under the optimum treatment simultaneously promoted the transmittance and conductivity due to the hydrogen associated passivation effect on the native defects and the formation of shallow donors in the films, respectively. A p-type c-Si based HJ solar cell with a front AZO contact was also treated in as-generated non-equilibrium hydrogen plasma and the photovoltaic performance of the solar cell was prominently improved. The underlying mechanism was discussed in terms of the beneficial impacts of high-density hydrogen plasma on the properties of AZO itself and the hetero-interfaces involved in the HJ structure (interface defect and energy band configuration)

  9. Application of fluid-structure coupling to predict the dynamic behavior of turbine components

    Energy Technology Data Exchange (ETDEWEB)

    Huebner, B; Seidel, U [Voith Hydro Holding GmbH and Co. KG, Alexanderstr. 11, 89522 Heidenheim (Germany); Roth, S, E-mail: bjoern.huebner@voith.co [Laboratory for Hydraulic Machines, EPFL, Avenue de Cour 33 Bis, 1007 Lausanne (Switzerland)

    2010-08-15

    In hydro turbine design, fluid-structure interaction (FSI) may play an important role. Examples are flow induced inertia and damping effects, vortex induced vibrations in the lock-in vicinity, or hydroelastic instabilities of flows in deforming gaps (e.g. labyrinth seals). In contrast to aeroelasticity, hydroelastic systems require strongly (iteratively) coupled or even monolithic solution procedures, since the fluid mass which is moving with the structure (added-mass effect) is much higher and changes the dynamic behavior of submerged structures considerably. Depending on the mode shape, natural frequencies of a turbine runner in water may be reduced to less than 50% of the corresponding frequencies in air, and flow induced damping effects may become one or two orders of magnitude higher than structural damping. In order to reduce modeling effort and calculation time, the solution strategy has to be adapted precisely to a given application. Hence, depending on the problem to solve, different approximations may apply. Examples are the calculation of natural frequencies and response spectra in water using an acoustic fluid formulation, the determination of flow induced damping effects by means of partitioned FSI including complex turbulent flows, and the identification of hydroelastic instabilities using monolithic coupling of non-linear structural dynamics and water flow.

  10. Lessons learned in the verification, validation and application of a coupled heat and fluid flow code

    International Nuclear Information System (INIS)

    Tsang, C.F.

    1986-01-01

    A summary is given of the authors recent studies in the verification, validation and application of a coupled heat and fluid flow code. Verification has been done against eight analytic and semi-analytic solutions. These solutions include those involving thermal buoyancy flow and fracture flow. Comprehensive field validation studies over a period of four years are discussed. The studies are divided into three stages: (1) history matching, (2) double-blind prediction and confirmation, (3) design optimization. At each stage, parameter sensitivity studies are performed. To study the applications of mathematical models, a problem proposed by the International Energy Agency (IEA) is solved using this verified and validated numerical model as well as two simpler models. One of the simpler models is a semi-analytic method assuming the uncoupling of the heat and fluid flow processes. The other is a graphical method based on a large number of approximations. Variations are added to the basic IEA problem to point out the limits of ranges of applications of each model. A number of lessons are learned from the above investigations. These are listed and discussed

  11. Hydro-mechanical coupling in non-saturated medium with phase change. Application to desiccation shrinkage

    International Nuclear Information System (INIS)

    Lassabatere, Thierry

    1994-01-01

    The target of this research is to set up a unified and coherent working frame based upon the rigorous principles of thermodynamics and making it possible to model a large class of physical phenomena acting in unsaturated porous media, as well as the related interactions with the mechanical state of the structures. This class corresponds to reactive phenomena among which one finds the phase change (desiccation) for which the whole of its subsequent actions (creep but essentially shrinkage) is modelled and which will be treated as a specific application example. The first chapter recalls the bases of the adopted description of the porous medium as well as the global thermodynamical frame which underlays the whole modelling. Chapter II deals with the mainly new formulation and the identification of a non linear elastic constitutive law of the medium involved. Various reflexion elements related to the microscopic behaviours of the components and to experiments have orientated the model towards some more limitative hypotheses making it possible to have a complete and explicit determination of a law for the macroscopic behaviour. Chapter IV and V are examples of application: chapter IV studies the problem of shrinkage and creep in a coupled linear elastic behaviour. Chapter V is limited to the case of shrinkage treated by a numerical application of the whole non-linear elastic model. The results obtained are in good agreement with the corresponding experiments. (author) [fr

  12. Application of numerical inverse method in calculation of composition-dependent interdiffusion coefficients in finite diffusion couples

    DEFF Research Database (Denmark)

    Liu, Yuanrong; Chen, Weimin; Zhong, Jing

    2017-01-01

    The previously developed numerical inverse method was applied to determine the composition-dependent interdiffusion coefficients in single-phase finite diffusion couples. The numerical inverse method was first validated in a fictitious binary finite diffusion couple by pre-assuming four standard...... sets of interdiffusion coefficients. After that, the numerical inverse method was then adopted in a ternary Al-Cu-Ni finite diffusion couple. Based on the measured composition profiles, the ternary interdiffusion coefficients along the entire diffusion path of the target ternary diffusion couple were...... obtained by using the numerical inverse approach. The comprehensive comparisons between the computations and the experiments indicate that the numerical inverse method is also applicable to high-throughput determination of the composition-dependent interdiffusion coefficients in finite diffusion couples....

  13. Inductively coupled plasma mass spectrometry with hexapole collision cell: figures of merit and applications

    Energy Technology Data Exchange (ETDEWEB)

    Boulyga, S.F. [Forschungszentrum Juelich GmbH (Germany). Zentralabteilung fuer Chemische Analysen]|[Radiation Physics and Chemistry Problems Inst., Minsk (Belarus); Becker, J.S. [Forschungszentrum Juelich GmbH (Germany). Zentralabteilung fuer Chemische Analysen

    2000-11-01

    The use of gas-filled multipole collision cells represents important progress in ICP-MS instrumentation. It enables an increase in element sensitivity based on the improvement of ion transmission efficiency from near thermalization and collisional focusing of ions. In addition, gas-phase ion-molecule chemistry can be applied in order to reduce mass spectral interferences via charge transfer reaction of interfering ions with reaction gas or via fragmentation of interfering molecular ions by collision-induced dissociation. The application of a hexapole collision cell in quadrupole based ICP-MS (HEX-ICP-QMS) was studied systematically in order to characterize the analytical figures of merit of this approach. Additionally, the performance of different solution introduction systems as well as an inductively coupled plasma shielded torch was studied for use with HEX-ICP-QMS. (orig.)

  14. Silicon coupled-ring resonator structures for slow light applications: potential, impairments and ultimate limits

    International Nuclear Information System (INIS)

    Canciamilla, A; Torregiani, M; Ferrari, C; Morichetti, F; Melloni, A; De La Rue, R M; Samarelli, A; Sorel, M

    2010-01-01

    Coupled-ring resonator-based slow light structures are reported and discussed. By combining the advantages of high index contrast silicon-on-insulator technology with an efficient thermo-optical activation, they provide an on-chip solution with a bandwidth of up to 100 GHz and a slowdown factor of up to 16, as well as a continuous reconfiguration scheme and a fine tunability. The performance of these devices is investigated in detail for both static and dynamic operation, in order to evaluate their potential in optical signal processing applications at high bit rate. The main impairments imposed by fabrication imperfections are also discussed in relation to the slowdown factor. In particular, the analysis of the impact of backscatter, disorder and two-photon absorption on the device transfer function reveals the ultimate limits of these structures and provides valuable design rules for their optimization

  15. A 25kW fiber-coupled diode laser for pumping applications

    Science.gov (United States)

    Malchus, Joerg; Krause, Volker; Koesters, Arnd; Matthews, David G.

    2014-03-01

    In this paper we report the development of a new fiber-coupled diode laser for pumping applications capable of generating 25 kW with four wavelengths. The delivery fiber has 2.0 mm core diameter and 0.22 NA resulting in a Beam Parameter Product (BPP) of 220 mm mrad. To achieve the specifications mentioned above a novel beam transformation technique has been developed combining two high power laser stacks in one common module. After fast axis collimation and beam reformatting a beam with a BPP of 200 mm mrad x 40 mm mrad in the slow and fast-axis is generated. Based on this architecture a customer-specific pump laser with 25 kW optical output power has been developed, in which two modules are polarization multiplexed for each wavelength (980nm, 1020nm, 1040m and 1060nm). After slow-axis collimation these wavelengths are combined using dense wavelength coupling before focusing onto the fiber endface. This new laser is based on a turn-key platform, allowing straight-forward integration into any pump application. The complete system has a footprint of less than 1.4m² and a height of less than 1.8m. The laser diodes are water cooled, achieve a wall-plug efficiency of up to 60%, and have a proven lifetime of <30,000 hours. The new beam transformation techniques open up prospects for the development of pump sources with more than 100kW of optical output power.

  16. Development and application of liquid chromatography coupled to isotope ratio mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lijun

    2014-02-19

    Stable isotope analysis has found widespread applications in various disciplines such as archaeology, geochemistry, biology, food authenticity, and forensic science. Coupling chromatography to isotope ratio mass spectrometry for compound-specific isotope analysis (CSIA) is a trend, as it provides several advantages over bulk isotope analysis, e.g., relatively simple sample preparation, the ability to measure individual compounds in a complex mixture in one run, and the reduced sample size required for precise isotope analysis. Gas chromatography coupled to isotope ratio mass spectrometry (GC/IRMS) has been well-established for compound-specific isotope analysis of volatile organic compounds within the last two decades. However, an interface combining liquid chromatography with isotope ratio mass spectrometry (LC/IRMS) was not commercially available until 2004. The current design of the interface requires using a carbon-free eluent in chromatographic separation. This requirement limits the application of the most frequently used reversed-phase liquid chromatography in CSIA, because the elution strength of water at room temperature is too low to serve as mobile phase in reversed-phase separations. In order to increase the elution strength of water, we propose using high temperature water for chromatographic elution. The polarity of water decreases with an increase of temperature, yielding increased elution strength in reversed-phase columns. Therefore, high temperature water can be used as eluent instead of organic solvent for combining reversed-phase liquid chromatography with isotope ratio mass spectrometry (RPLC/IRMS). Additionally, temperature gradients can replace organic solvent gradients to increase chromatographic resolution. This is very important for LC/IRMS analysis, as precise isotope analysis requires baseline separation of analytes. In this thesis, high-temperature reversed-phase liquid chromatography was coupled to, and for the first time carefully

  17. Development and application of liquid chromatography coupled to isotope ratio mass spectrometry

    International Nuclear Information System (INIS)

    Zhang, Lijun

    2014-01-01

    Stable isotope analysis has found widespread applications in various disciplines such as archaeology, geochemistry, biology, food authenticity, and forensic science. Coupling chromatography to isotope ratio mass spectrometry for compound-specific isotope analysis (CSIA) is a trend, as it provides several advantages over bulk isotope analysis, e.g., relatively simple sample preparation, the ability to measure individual compounds in a complex mixture in one run, and the reduced sample size required for precise isotope analysis. Gas chromatography coupled to isotope ratio mass spectrometry (GC/IRMS) has been well-established for compound-specific isotope analysis of volatile organic compounds within the last two decades. However, an interface combining liquid chromatography with isotope ratio mass spectrometry (LC/IRMS) was not commercially available until 2004. The current design of the interface requires using a carbon-free eluent in chromatographic separation. This requirement limits the application of the most frequently used reversed-phase liquid chromatography in CSIA, because the elution strength of water at room temperature is too low to serve as mobile phase in reversed-phase separations. In order to increase the elution strength of water, we propose using high temperature water for chromatographic elution. The polarity of water decreases with an increase of temperature, yielding increased elution strength in reversed-phase columns. Therefore, high temperature water can be used as eluent instead of organic solvent for combining reversed-phase liquid chromatography with isotope ratio mass spectrometry (RPLC/IRMS). Additionally, temperature gradients can replace organic solvent gradients to increase chromatographic resolution. This is very important for LC/IRMS analysis, as precise isotope analysis requires baseline separation of analytes. In this thesis, high-temperature reversed-phase liquid chromatography was coupled to, and for the first time carefully

  18. Transition metal-catalyzed couplings of alkynes to 1,3-enynes: modern methods and synthetic applications.

    Science.gov (United States)

    Trost, Barry M; Masters, James T

    2016-04-21

    The metal-catalyzed coupling of alkynes is a powerful method for the preparation of 1,3-enynes, compounds that are of broad interest in organic synthesis. Numerous strategies have been developed for the homo- and cross coupling of alkynes to enynes via transition metal catalysis. In such reactions, a major issue is the control of regio-, stereo-, and, where applicable, chemoselectivity. Herein, we highlight prominent methods for the selective synthesis of these valuable compounds. Further, we illustrate the utility of these processes through specific examples of their application in carbocycle, heterocycle, and natural product syntheses.

  19. Review of inductively coupled plasmas: Nano-applications and bistable hysteresis physics

    Science.gov (United States)

    Lee, Hyo-Chang

    2018-03-01

    Many different gas discharges and plasmas exhibit bistable states under a given set of conditions, and the history-dependent hysteresis that is manifested by intensive quantities of the system upon variation of an external parameter has been observed in inductively coupled plasmas (ICPs). When the external parameters (such as discharge powers) increase, the plasma density increases suddenly from a low- to high-density mode, whereas decreasing the power maintains the plasma in a relatively high-density mode, resulting in significant hysteresis. To date, a comprehensive description of plasma hysteresis and a physical understanding of the main mechanism underlying their bistability remain elusive, despite many experimental observations of plasma bistability conducted under radio-frequency ICP excitation. This fundamental understanding of mode transitions and hysteresis is essential and highly important in various applied fields owing to the widespread use of ICPs, such as semiconductor/display/solar-cell processing (etching, deposition, and ashing), wireless light lamp, nanostructure fabrication, nuclear-fusion operation, spacecraft propulsion, gas reformation, and the removal of hazardous gases and materials. If, in such applications, plasma undergoes a mode transition and hysteresis occurs in response to external perturbations, the process result will be strongly affected. Due to these reasons, this paper comprehensively reviews both the current knowledge in the context of the various applied fields and the global understanding of the bistability and hysteresis physics in the ICPs. At first, the basic understanding of the ICP is given. After that, applications of ICPs to various applied fields of nano/environmental/energy-science are introduced. Finally, the mode transition and hysteresis in ICPs are studied in detail. This study will show the fundamental understanding of hysteresis physics in plasmas and give open possibilities for applications to various applied

  20. Applicability of multisyringe chromatography coupled to cold-vapor atomic fluorescence spectrometry for mercury speciation analysis

    International Nuclear Information System (INIS)

    Guzmán-Mar, J.L.; Hinojosa-Reyes, L.; Serra, A.M.; Hernández-Ramírez, A.; Cerdà, V.

    2011-01-01

    Graphical abstract: An automatic system, based on the applicability of multisyringe chromatography (MSC) coupled to cold-vapor atomic fluorescence spectrometry (CV/AFS) detection is developed for mercury speciation. Highlights: ► The on-line coupling of MSC to CV/AFS was developed for mercury speciation analysis. ► The speciation of MeHg + , Hg 2+ and EtHg + was achieved on a RP C18 monolithic column. ► The hyphenated system provided higher sample throughput compared to HPLC–CV/AFS. ► The limits of detection for mercury species were comparable or better than those reported by HPLC–CV/AFS. ► The developed method also provided low instrumental and operational costs. - Abstract: In this paper, a novel automatic approach for the speciation of inorganic mercury (Hg 2+ ), methylmercury (MeHg + ) and ethylmercury (EtHg + ) using multisyringe chromatography (MSC) coupled to cold-vapor atomic fluorescence spectrometry (CV/AFS) was developed. For the first time, the separation of mercury species was accomplished on a RP C18 monolithic column using a multi-isocratic elution program. The elution protocol involved the use of 0.005% 2-mercapthoethanol in 240 mM ammonium acetate (pH 6)–acetonitrile (99:1, v/v), followed by 0.005% 2-mercapthoethanol in 240 mM ammonium acetate (pH 6)–acetonitrile (90:10, v/v). The eluted mercury species were then oxidized under post-column UV radiation and reduced using tin(II) chloride in an acidic medium. Subsequently, the generated mercury metal were separated from the reaction mixture and further atomized in the flame atomizer and detected by AFS. Under the optimized experimental conditions, the limits of detection (3σ) were found to be 0.03, 0.11 and 0.09 μg L −1 for MeHg + , Hg 2+ and EtHg + , respectively. The relative standard deviation (RSD, n = 6) of the peak height for 3, 6 and 3 μg L −1 of MeHg + , Hg 2+ and EtHg + (as Hg) ranged from 2.4 to 4.0%. Compared with the conventional HPLC–CV/AFS hyphenated systems

  1. Fermionic reaction coordinates and their application to an autonomous Maxwell demon in the strong-coupling regime

    Science.gov (United States)

    Strasberg, Philipp; Schaller, Gernot; Schmidt, Thomas L.; Esposito, Massimiliano

    2018-05-01

    We establish a theoretical method which goes beyond the weak-coupling and Markovian approximations while remaining intuitive, using a quantum master equation in a larger Hilbert space. The method is applicable to all impurity Hamiltonians tunnel coupled to one (or multiple) baths of free fermions. The accuracy of the method is in principle not limited by the system-bath coupling strength, but rather by the shape of the spectral density and it is especially suited to study situations far away from the wide-band limit. In analogy to the bosonic case, we call it the fermionic reaction coordinate mapping. As an application, we consider a thermoelectric device made of two Coulomb-coupled quantum dots. We pay particular attention to the regime where this device operates as an autonomous Maxwell demon shoveling electrons against the voltage bias thanks to information. Contrary to previous studies, we do not rely on a Markovian weak-coupling description. Our numerical findings reveal that in the regime of strong coupling and non-Markovianity, the Maxwell demon is often doomed to disappear except in a narrow parameter regime of small power output.

  2. Altered transport and metabolism of phenolic compounds in obesity and diabetes: implications for functional food development and assessment

    Science.gov (United States)

    Interest in application of phenolic compounds from diet or supplements for prevention of chronic diseases has grown significantly, but efficacy of such approaches in humans is largely dependent on the bioavailability and metabolism of these compounds. While food and dietary factors have been the foc...

  3. Coupled multi-group neutron photon transport for the simulation of high-resolution gamma-ray spectroscopy applications

    Energy Technology Data Exchange (ETDEWEB)

    Burns, Kimberly A. [Georgia Inst. of Technology, Atlanta, GA (United States)

    2009-08-01

    The accurate and efficient simulation of coupled neutron-photon problems is necessary for several important radiation detection applications. Examples include the detection of nuclear threats concealed in cargo containers and prompt gamma neutron activation analysis for nondestructive determination of elemental composition of unknown samples.

  4. A computational procedure for coupled electromagnetic-structural dynamic problems and its application to a fusion reactor blanket

    International Nuclear Information System (INIS)

    Jordan, T.

    1993-09-01

    A method is presented in order to couple quasistationary electromagnetics and the dynamics of structure and fluid. This method allows to compute forces, strains and stresses in structures subjected to transient magnetic fields. An important application was to determine the dynamic loading of the self-cooled liquid metal blanket during a plasma distruption. (orig./HP) [de

  5. A coupled factorial-analysis-based interval programming approach and its application to air quality management.

    Science.gov (United States)

    Wang, S; Huang, G H

    2013-02-01

    In this study, a coupled factorial-analysis-based interval programming (CFA-IP) approach is developed through incorporating factorial analysis within an interval-parameter linear programming framework. CFA-IP can tackle uncertainties presented as intervals that exist in the objective function and the left- and right-hand sides of constraints, as well as robustly reflect interval information in the solutions for the objective-function value and decision variables. Moreover CFA-IP has the advantage of investigating the potential interactions among input parameters and their influences on lower- and upper-bound solutions, which is meaningful for supporting an in-depth analysis of uncertainty. A regional air quality management problem is studied to demonstrate applicability of the proposed CFA-IP approach. The results indicate that useful solutions have been generated for planning the air quality management practices. They can help decision makers identify desired pollution mitigation strategies with minimized total cost and maximized environmental efficiency, as well as screen out dominant parameters and explore the valuable information that may be veiled beneath their interrelationships. The CFA-IP approach can not only tackle uncertainties presented as intervals that exist in the objective function and the left- and right-hand sides of constraints, but also investigate their interactive effects on model outputs, which is meaningful for supporting an in-depth analysis of uncertainty. Thus CFA-IP would be applicable to air quality management problems under uncertainty. The results obtained from CFA-IP can help decision makers identify desired pollution mitigation strategies, as well as investigate the potential interactions among factors and analyze their consequent effects on modeling results.

  6. Applications of inductively coupled plasma-mass spectrometry to radionuclide determinations: Second volume

    International Nuclear Information System (INIS)

    Morrow, R.W.; Crain, J.S.

    1998-01-01

    Even from its early conception, inductively coupled plasma-mass spectrometry (ICP-MS) was thought to be well-suited to the unique measurement problems facing the nuclear industry. These thoughts were well-founded; indeed, one might consider it unusual if a modern nuclear research center did not have access to one or more ICP mass spectrometers (quadrupole or otherwise). However, as ICP-MS has matured, improvements in sensitivity and precision have made possible measurements that were inconceivable to the founding fathers of the technology. Therefore, there is a periodic need to gather information and obtain a snapshot in time of the technology and its applications in nuclear energy. This second symposium was an international event in which speakers from the US, Europe, and the Middle East described new developments in ICP-MS relevant to the nuclear energy community. The papers presented at the 1998 symposium are published herein. Several papers have been processed separately for inclusion on the data base

  7. Optimization of a hardware implementation for pulse coupled neural networks for image applications

    Science.gov (United States)

    Gimeno Sarciada, Jesús; Lamela Rivera, Horacio; Warde, Cardinal

    2010-04-01

    Pulse Coupled Neural Networks are a very useful tool for image processing and visual applications, since it has the advantages of being invariant to image changes as rotation, scale, or certain distortion. Among other characteristics, the PCNN changes a given image input into a temporal representation which can be easily later analyzed for pattern recognition. The structure of a PCNN though, makes it necessary to determine all of its parameters very carefully in order to function optimally, so that the responses to the kind of inputs it will be subjected are clearly discriminated allowing for an easy and fast post-processing yielding useful results. This tweaking of the system is a taxing process. In this paper we analyze and compare two methods for modeling PCNNs. A purely mathematical model is programmed and a similar circuital model is also designed. Both are then used to determine the optimal values of the several parameters of a PCNN: gain, threshold, time constants for feed-in and threshold and linking leading to an optimal design for image recognition. The results are compared for usefulness, accuracy and speed, as well as the performance and time requirements for fast and easy design, thus providing a tool for future ease of management of a PCNN for different tasks.

  8. S3 HMBC: Spin-State-Selective HMBC for accurate measurement of homonuclear coupling constants. Application to strychnine yielding thirteen hitherto unreported JHH

    DEFF Research Database (Denmark)

    Kjaerulff, Louise; Benie, Andrew J.; Hoeck, Casper

    2016-01-01

    A novel method, Spin-State-Selective (S3) HMBC, for accurate measurement of homonuclear coupling constants is introduced. As characteristic for S3 techniques, S3 HMBC yields independent subspectra corresponding to particular passive spin states and thus allows determination of coupling constants ...... are demonstrated by an application to strychnine where thirteen JHH coupling constants not previously reported could be measured....

  9. Transition-Metal-Catalyzed Decarbonylative Coupling Reactions: Concepts, Classifications, and Applications

    KAUST Repository

    Guo, Lin; Rueping, Magnus

    2018-01-01

    Transition metal‐catalyzed decarbonylative coupling reactions have emerged as a powerful alternative to conventional cross‐coupling protocols due to the advantages associated with the use of carbonyl‐containing functionalities as coupling electrophiles instead of commonly used organohalides or sulfates. A wide variety of novel transformations based on this concept have been successfully achieved, including decarbonylative carbon–carbon and carbon–heteroatom bond forming reactions. In this Review, we summarize the recent progress in this field and present a comprehensive overview of metal‐catalyzed decarbonylative coupling reactions with carbonyl derivatives.

  10. Transition-Metal-Catalyzed Decarbonylative Coupling Reactions: Concepts, Classifications, and Applications

    KAUST Repository

    Guo, Lin

    2018-05-14

    Transition metal‐catalyzed decarbonylative coupling reactions have emerged as a powerful alternative to conventional cross‐coupling protocols due to the advantages associated with the use of carbonyl‐containing functionalities as coupling electrophiles instead of commonly used organohalides or sulfates. A wide variety of novel transformations based on this concept have been successfully achieved, including decarbonylative carbon–carbon and carbon–heteroatom bond forming reactions. In this Review, we summarize the recent progress in this field and present a comprehensive overview of metal‐catalyzed decarbonylative coupling reactions with carbonyl derivatives.

  11. Verification of two-dimensional LBM-DEM coupling approach and its application in modeling episodic sand production in borehole

    Directory of Open Access Journals (Sweden)

    Yanhui Han

    2017-06-01

    Full Text Available The lattice Boltzmann method (LBM is implemented in the Particle Flow Code (PFC as a pore-scale CFD module and coupled with the particulate discrete element assemblage in PFC using an immersed boundary scheme. The implementation of LBM and LBM-PFC coupling is validated with the analytical solutions in a couple of hydrodynamics and fluid-particle interaction problems, i.e., the accuracy of LBM as a CFD solver is verified by solving channel flow driven by a pressure gradient for which the closed-form solution is also derived; the accuracy of LBM-PFC coupling is validated by solving flow across a cylinder, Taylor-Couette flow, Kármán vortex street, and fluid flow through a cylinder array. To demonstrate potential applications of this coupling code, a perforation cavity subjected to axial fluid flush is then tested, showing that the collapse and reconstruction of sand arch in the perforation cavity can be reproduced in this coupling system. The developed system is ready for exploring more complicated physical issues involved in sand production.

  12. Applicability of multisyringe chromatography coupled to cold-vapor atomic fluorescence spectrometry for mercury speciation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Guzman-Mar, J.L.; Hinojosa-Reyes, L. [Department of Chemistry Sciences, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, Pedro de Alba s/n, C.P. 66451 San Nicolas de los Garza, Nuevo Leon (Mexico); Serra, A.M. [Department of Chemistry, University of the Balearic Islands, E-07122 Palma de Mallorca (Spain); Hernandez-Ramirez, A. [Department of Chemistry Sciences, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, Pedro de Alba s/n, C.P. 66451 San Nicolas de los Garza, Nuevo Leon (Mexico); Cerda, V., E-mail: victor.cerda@uib.es [Department of Chemistry, University of the Balearic Islands, E-07122 Palma de Mallorca (Spain)

    2011-12-05

    Graphical abstract: An automatic system, based on the applicability of multisyringe chromatography (MSC) coupled to cold-vapor atomic fluorescence spectrometry (CV/AFS) detection is developed for mercury speciation. Highlights: Black-Right-Pointing-Pointer The on-line coupling of MSC to CV/AFS was developed for mercury speciation analysis. Black-Right-Pointing-Pointer The speciation of MeHg{sup +}, Hg{sup 2+} and EtHg{sup +} was achieved on a RP C18 monolithic column. Black-Right-Pointing-Pointer The hyphenated system provided higher sample throughput compared to HPLC-CV/AFS. Black-Right-Pointing-Pointer The limits of detection for mercury species were comparable or better than those reported by HPLC-CV/AFS. Black-Right-Pointing-Pointer The developed method also provided low instrumental and operational costs. - Abstract: In this paper, a novel automatic approach for the speciation of inorganic mercury (Hg{sup 2+}), methylmercury (MeHg{sup +}) and ethylmercury (EtHg{sup +}) using multisyringe chromatography (MSC) coupled to cold-vapor atomic fluorescence spectrometry (CV/AFS) was developed. For the first time, the separation of mercury species was accomplished on a RP C18 monolithic column using a multi-isocratic elution program. The elution protocol involved the use of 0.005% 2-mercapthoethanol in 240 mM ammonium acetate (pH 6)-acetonitrile (99:1, v/v), followed by 0.005% 2-mercapthoethanol in 240 mM ammonium acetate (pH 6)-acetonitrile (90:10, v/v). The eluted mercury species were then oxidized under post-column UV radiation and reduced using tin(II) chloride in an acidic medium. Subsequently, the generated mercury metal were separated from the reaction mixture and further atomized in the flame atomizer and detected by AFS. Under the optimized experimental conditions, the limits of detection (3{sigma}) were found to be 0.03, 0.11 and 0.09 {mu}g L{sup -1} for MeHg{sup +}, Hg{sup 2+} and EtHg{sup +}, respectively. The relative standard deviation (RSD, n = 6) of the

  13. Integrated circuits with emitter coupling and their application in nanosecond nuclear electronics

    International Nuclear Information System (INIS)

    Basiladze, S.G.

    1976-01-01

    Principal static and dynamic characteristics are considered of integrated circuits with emitter coupling, as well as problems of signal transmission. Diagrams are given of amplifiers, discriminators, time interval drivers, generators, etc. Systems and units of nanosecond electronics employing integrated circuits with emitter coupling are briefly described

  14. Application of the SALOME platform to the loose coupling of the CATHENA and ELOCA codes

    International Nuclear Information System (INIS)

    Zhuchkova, A.

    2012-01-01

    Use of coupled codes for the safety analysis of nuclear power plants is highly desirable, as it permits multi-disciplinary studies of complex reactor behaviors and, in particular, accident simulations. The present work demonstrates the potential of the SALOME platform as an interface for creating integrated, multi-disciplinary simulations of reactor scenarios. For this purpose two codes currently in use within the Canadian nuclear industry, CATHENA and ELOCA, were coupled by means of SALOME. The coupled codes were used to model the Power Burst Facility (PBF)-CANDU Test, which was to test the thermal-mechanical behavior of PHWR (pressurized heavy water reactor) fuel during a simulated Large Loss-Of-Coolant Accident (LLOCA). The results of the SALOME-coupled simulations are compared with a previous analysis in which the two codes were coupled using a package of scripts. (author)

  15. Composite material bend-twist coupling for wind turbine blade applications

    Science.gov (United States)

    Walsh, Justin M.

    Current efforts in wind turbine blade design seek to employ bend-twist coupling of composite materials for passive power control by twisting blades to feather. Past efforts in this area of study have proved to be problematic, especially in formulation of the bend-twist coupling coefficient alpha. Kevlar/epoxy, carbon/epoxy and glass/epoxy specimens were manufactured to study bend-twist coupling, from which numerical and analytical models could be verified. Finite element analysis was implemented to evaluate fiber orientation and material property effects on coupling magnitude. An analytical/empirical model was then derived to describe numerical results and serve as a replacement for the commonly used coupling coefficient alpha. Through the results from numerical and analytical models, a foundation for aeroelastic design of wind turbines blades utilizing biased composite materials is provided.

  16. Application of Coupled-Wave Wentzel-Kramers-Brillouin Approximation to Ground Penetrating Radar

    Directory of Open Access Journals (Sweden)

    Igor Prokopovich

    2017-12-01

    Full Text Available This paper deals with bistatic subsurface probing of a horizontally layered dielectric half-space by means of ultra-wideband electromagnetic waves. In particular, the main objective of this work is to present a new method for the solution of the two-dimensional back-scattering problem arising when a pulsed electromagnetic signal impinges on a non-uniform dielectric half-space; this scenario is of interest for ground penetrating radar (GPR applications. For the analytical description of the signal generated by the interaction of the emitted pulse with the environment, we developed and implemented a novel time-domain version of the coupled-wave Wentzel-Kramers-Brillouin approximation. We compared our solution with finite-difference time-domain (FDTD results, achieving a very good agreement. We then applied the proposed technique to two case studies: in particular, our method was employed for the post-processing of experimental radargrams collected on Lake Chebarkul, in Russia, and for the simulation of GPR probing of the Moon surface, to detect smooth gradients of the dielectric permittivity in lunar regolith. The main conclusions resulting from our study are that our semi-analytical method is accurate, radically accelerates calculations compared to simpler mathematical formulations with a mostly numerical nature (such as the FDTD technique, and can be effectively used to aid the interpretation of GPR data. The method is capable to correctly predict the protracted return signals originated by smooth transition layers of the subsurface dielectric medium. The accuracy and numerical efficiency of our computational approach make promising its further development.

  17. Applicability of mode-coupling theory to polyisobutylene: a molecular dynamics simulation study.

    Science.gov (United States)

    Khairy, Y; Alvarez, F; Arbe, A; Colmenero, J

    2013-10-01

    The applicability of Mode Coupling Theory (MCT) to the glass-forming polymer polyisobutylene (PIB) has been explored by using fully atomistic molecular dynamics simulations. MCT predictions for the so-called asymptotic regime have been successfully tested on the dynamic structure factor and the self-correlation function of PIB main-chain carbons calculated from the simulated cell. The factorization theorem and the time-temperature superposition principle are satisfied. A consistent fitting procedure of the simulation data to the MCT asymptotic power-laws predicted for the α-relaxation regime has delivered the dynamic exponents of the theory-in particular, the exponent parameter λ-the critical non-ergodicity parameters, and the critical temperature T(c). The obtained values of λ and T(c) agree, within the uncertainties involved in both studies, with those deduced from depolarized light scattering experiments [A. Kisliuk et al., J. Polym. Sci. Part B: Polym. Phys. 38, 2785 (2000)]. Both, λ and T(c)/T(g) values found for PIB are unusually large with respect to those commonly obtained in low molecular weight systems. Moreover, the high T(c)/T(g) value is compatible with a certain correlation of this parameter with the fragility in Angell's classification. Conversely, the value of λ is close to that reported for real polymers, simulated "realistic" polymers and simple polymer models with intramolecular barriers. In the framework of the MCT, such finding should be the signature of two different mechanisms for the glass-transition in real polymers: intermolecular packing and intramolecular barriers combined with chain connectivity.

  18. Altered Transport and Metabolism of Phenolic Compounds in Obesity and Diabetes: Implications for Functional Food Development and Assessment12

    Science.gov (United States)

    Redan, Benjamin W; Buhman, Kimberly K; Novotny, Janet A; Ferruzzi, Mario G

    2016-01-01

    Interest in the application of phenolic compounds from the diet or supplements for the prevention of chronic diseases has grown substantially, but the efficacy of such approaches in humans is largely dependent on the bioavailability and metabolism of these compounds. Although food and dietary factors have been the focus of intense investigation, the impact of disease states such as obesity or diabetes on their absorption, metabolism, and eventual efficacy is important to consider. These factors must be understood in order to develop effective strategies that leverage bioactive phenolic compounds for the prevention of chronic disease. The goal of this review is to discuss the inducible metabolic systems that may be influenced by disease states and how these effects impact the bioavailability and metabolism of dietary phenolic compounds. Because current studies generally report that obesity and/or diabetes alter the absorption and excretion of these compounds, this review includes a description of the absorption, conjugation, and excretion pathways for phenolic compounds and how they are potentially altered in disease states. A possible mechanism that will be discussed related to the modulation of phenolic bioavailability and metabolism may be linked to increased inflammatory status from increased amounts of adipose tissue or elevated plasma glucose concentrations. Although more studies are needed, the translation of benefits derived from dietary phenolic compounds to individuals with obesity or diabetes may require the consideration of dosing strategies or be accompanied by adjunct therapies to improve the bioavailability of these compounds. PMID:28140326

  19. Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

    International Nuclear Information System (INIS)

    Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

    2016-01-01

    Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

  20. Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

    Energy Technology Data Exchange (ETDEWEB)

    Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

    2016-10-20

    Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

  1. Contraception knowledge status of marriage applicants couples in the Van city

    Directory of Open Access Journals (Sweden)

    Ahmet Yılmaz

    2013-09-01

    Full Text Available This study was performed to determine ofcontraception knowledge levels and planning contraceptionmethods after marriage that couples have applied tofamily planning center in the Van city.Methods: Study has planned as descriptive manner. Thisstudy was performed on 255 couples who have appliedfor official wedding procedure to Van maternal and childhealth and family planning center between September2010 - January 2011. Participants were determined on avoluntary basis. Questionnaires were filled out by familymedicine face to face with couples.Results: Totally, 21.3% percent of women, 23.5% percentof men have primary school degree. 18% of women,93.4% of men have a profession. 12.1% percent of womenand 12.9% percent of men does not have any knowledgeabout contraceptive and 43% of couples do not consideruse any contraceptive method after marriage. The resultshas shown that when evaluate the couples, in terms ofthe distribution of contraception information, the coupleshave more information about condoms, pills, coil, injectionand withdraw methods then tube ligation, implants,spermicides, vasectomy and the calendar methodsConclusion: Van region has a low socio-economic status.The couples should be informed about family planningbefore marriage, to talk about advantages of collaborationbetween the couples about birth control methodchoice.Key words: Reproductive health, family planning, contraception

  2. Quantifying interactions between real oscillators with information theory and phase models: Application to cardiorespiratory coupling

    Science.gov (United States)

    Zhu, Yenan; Hsieh, Yee-Hsee; Dhingra, Rishi R.; Dick, Thomas E.; Jacono, Frank J.; Galán, Roberto F.

    2013-02-01

    Interactions between oscillators can be investigated with standard tools of time series analysis. However, these methods are insensitive to the directionality of the coupling, i.e., the asymmetry of the interactions. An elegant alternative was proposed by Rosenblum and collaborators [M. G. Rosenblum, L. Cimponeriu, A. Bezerianos, A. Patzak, and R. Mrowka, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.65.041909 65, 041909 (2002); M. G. Rosenblum and A. S. Pikovsky, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.64.045202 64, 045202 (2001)] which consists in fitting the empirical phases to a generic model of two weakly coupled phase oscillators. This allows one to obtain the interaction functions defining the coupling and its directionality. A limitation of this approach is that a solution always exists in the least-squares sense, even in the absence of coupling. To preclude spurious results, we propose a three-step protocol: (1) Determine if a statistical dependency exists in the data by evaluating the mutual information of the phases; (2) if so, compute the interaction functions of the oscillators; and (3) validate the empirical oscillator model by comparing the joint probability of the phases obtained from simulating the model with that of the empirical phases. We apply this protocol to a model of two coupled Stuart-Landau oscillators and show that it reliably detects genuine coupling. We also apply this protocol to investigate cardiorespiratory coupling in anesthetized rats. We observe reciprocal coupling between respiration and heartbeat and that the influence of respiration on the heartbeat is generally much stronger than vice versa. In addition, we find that the vagus nerve mediates coupling in both directions.

  3. Interface model coupling in fluid dynamics: application to two-phase flows

    International Nuclear Information System (INIS)

    Galie, Th.

    2009-03-01

    This thesis is devoted to the study of interface model coupling problems in space between different models of compressible flows. We consider one-dimensional problems where the interface is sharp, fixed and separating two regions of space corresponding to the two coupled models. Our goal is to define a coupling condition at the interface and to solve numerically the coupling problem with this condition. After a state of art on the interface model coupling of hyperbolic systems of conservation laws, we propose a new coupling condition by adding in the equations of the coupled problem a measure source term at the interface. We first suppose a given constant weight associated to this source term. Two Riemann solvers are developed and one of them is based on a relaxation approach preserving equilibrium solutions of the coupled problem. This relaxation method is then used in an optimization problem, defined by several motivations at the interface, which permits to calculate a time dynamical weight. In a second part, we develop an approached Riemann solver for a two-phase two-pressure model in the particular case of a two-phase isentropic flow. Such a model contains non conservative terms that we write under the form of measure source terms. The previous relaxation method is thus extended to the case of the two-phase two-pressure model with an a priori estimation of the non conservative term contributions. The method allows us to solve, in the next and last chapter, the coupling problem of a two-fluid two-pressure model with a drift-flux model thanks to the father model approach. (authors)

  4. Extension-twist coupling of composite circular tubes with application to tilt rotor blade design

    Science.gov (United States)

    Nixon, Mark W.

    1987-01-01

    This investigation was conducted to determine if twist deformation required for the design of full-scale extension-twist-coupled tilt-rotor blades can be achieved within material design limit loads, and to demonstrate the accuracy of a coupled-beam analysis in predicting twist deformations. Two extension-twist-coupled tilt-rotor blade designs were developed based on theoretically optimum aerodynamic twist distributions. The designs indicated a twist rate requirement of between .216 and .333 deg/in. Agreement between axial tests and analytical predictions was within 10 percent at design limit loads. Agreement between the torsion tests and predictions was within 11 percent.

  5. Effect of couple’s schema therapy in decreasing couples’ tendency to divorce among divorce-applicant couples

    Directory of Open Access Journals (Sweden)

    Rahman Berdi Ozouni-Davaji

    2018-01-01

    Full Text Available The current study aimed to survey the effect of couple’s schema therapy in reducing the tendency to divorce among divorce applicant couples. An experimental study was carried out in the form of single-subject design. The population study consisted of self-referential or referring couples to counseling centers as well as the counseling center of justice department. Three couples (wife and husband were selected using purposive sampling method. Couple’s schema therapy was conducted during 20 sessions with two-month follow-up. To collect data, demographic checklist and Rusbult tendency to divorce questionnaire were used. Data were analyzed using visual analysis, improvement percentage, reliable change index, and Cohen index. The findings showed that couple’s schema therapy decreased tendency to divorce among divorcing couples and this reduction was clinically meaningful and statistically reliable (Reliable Change Index, RCI>1.96, The reduction in the tendency to divorce remained after two months and changes were clinically meaningful and statistically reliable (RCI>1.96, indicating the efficacy of couple’s schema therapy in decreasing the tendency to divorce among couples

  6. Formulation and Application of Optimal Homotopty Asymptotic Method to Coupled Differential - Difference Equations

    Science.gov (United States)

    Ullah, Hakeem; Islam, Saeed; Khan, Ilyas; Shafie, Sharidan; Fiza, Mehreen

    2015-01-01

    In this paper we applied a new analytic approximate technique Optimal Homotopy Asymptotic Method (OHAM) for treatment of coupled differential- difference equations (DDEs). To see the efficiency and reliability of the method, we consider Relativistic Toda coupled nonlinear differential-difference equation. It provides us a convenient way to control the convergence of approximate solutions when it is compared with other methods of solution found in the literature. The obtained solutions show that OHAM is effective, simpler, easier and explicit. PMID:25874457

  7. Formulation and application of optimal homotopty asymptotic method to coupled differential-difference equations.

    Science.gov (United States)

    Ullah, Hakeem; Islam, Saeed; Khan, Ilyas; Shafie, Sharidan; Fiza, Mehreen

    2015-01-01

    In this paper we applied a new analytic approximate technique Optimal Homotopy Asymptotic Method (OHAM) for treatment of coupled differential-difference equations (DDEs). To see the efficiency and reliability of the method, we consider Relativistic Toda coupled nonlinear differential-difference equation. It provides us a convenient way to control the convergence of approximate solutions when it is compared with other methods of solution found in the literature. The obtained solutions show that OHAM is effective, simpler, easier and explicit.

  8. Implementing a memristive Van der Pol oscillator coupled to a linear oscillator: synchronization and application to secure communication

    International Nuclear Information System (INIS)

    Megam Ngouonkadi, E B; Fotsin, H B; Louodop Fotso, P

    2014-01-01

    This paper investigates the dynamics of a memristor-based Van der Pol oscillator coupled to a linear circuit (VDPCL). This chaotic oscillator is a modification of the classical Van der Pol coupled to a linear circuit, and is obtained by replacing the classical cubic nonlinearity by the memristive one. The memristive VDPCL oscillator, in addition to having a very special stability property, exhibits interesting spectral characteristics, which makes it suitable for chaos-based secure communication applications. The memristor is realized by using off-the-shelf components. The basic properties of the circuit are analyzed by means of bifurcation analysis. Chaotic attractors from numerical and experimental analysis are presented, followed by a comparison of results obtained from the modified VDPCL oscillator and those from the classical VDPCL oscillator. An application to synchronization and chaos secure communication is also presented. (paper)

  9. Validation and applicability of the 3D core kinetics and thermal hydraulics coupled code SPARKLE

    International Nuclear Information System (INIS)

    Miyata, Manabu; Maruyama, Manabu; Ogawa, Junto; Otake, Yukihiko; Miyake, Shuhei; Tabuse, Shigehiko; Tanaka, Hirohisa

    2009-01-01

    The SPARKLE code is a coupled code system based on three individual codes whose physical models have already been verified and validated. Mitsubishi Heavy Industries (MHI) confirmed the coupling calculation, including data transfer and the total reactor coolant system (RCS) behavior of the SPARKLE code. The confirmation uses the OECD/NEA MSLB benchmark problem, which is based on Three Mile Island Unit 1 (TMI-1) nuclear power plant data. This benchmark problem has been used to verify coupled codes developed and used by many organizations. Objectives of the benchmark program are as follows. Phase 1 is to compare the results of the system transient code using point kinetics. Phase 2 is to compare the results of the coupled three-dimensional (3D) core kinetics code and 3D core thermal-hydraulics (T/H) code, and Phase 3 is to compare the results of the combined coupled system transient code, 3D core kinetics code, and 3D core T/H code as a total validation of the coupled calculation. The calculation results of the SPARKLE code indicate good agreement with other benchmark participants' results. Therefore, the SPARKLE code is validated through these benchmark problems. In anticipation of applying the SPARKLE code to licensing analyses, MHI and Japanese PWR utilities have established a safety analysis method regarding the calculation conditions such as power distributions, reactivity coefficients, and event-specific features. (author)

  10. Interference coupling analysis based on a hybrid method: application to a radio telescope system

    Science.gov (United States)

    Xu, Qing-Lin; Qiu, Yang; Tian, Jin; Liu, Qi

    2018-02-01

    Working in a way that passively receives electromagnetic radiation from a celestial body, a radio telescope can be easily disturbed by external radio frequency interference as well as electromagnetic interference generated by electric and electronic components operating at the telescope site. A quantitative analysis of these interferences must be taken into account carefully for further electromagnetic protection of the radio telescope. In this paper, based on electromagnetic topology theory, a hybrid method that combines the Baum-Liu-Tesche (BLT) equation and transfer function is proposed. In this method, the coupling path of the radio telescope is divided into strong coupling and weak coupling sub-paths, and the coupling intensity criterion is proposed by analyzing the conditions in which the BLT equation simplifies to a transfer function. According to the coupling intensity criterion, the topological model of a typical radio telescope system is established. The proposed method is used to solve the interference response of the radio telescope system by analyzing subsystems with different coupling modes separately and then integrating the responses of the subsystems as the response of the entire system. The validity of the proposed method is verified numerically. The results indicate that the proposed method, compared with the direct solving method, reduces the difficulty and improves the efficiency of interference prediction.

  11. Structure refinement of flexible proteins using dipolar couplings: Application to the protein p8MTCP1

    International Nuclear Information System (INIS)

    Demene, Helene; Ducat, Thierry; Barthe, Philippe; Delsuc, Marc-Andre; Roumestand, Christian

    2002-01-01

    The present study deals with the relevance of using mobility-averaged dipolar couplings for the structure refinement of flexible proteins. The 68-residue protein p8 MTCP1 has been chosen as model for this study. Its solution state consists mainly of three α-helices. The two N-terminal helices are strapped in a well-determined α-hairpin, whereas, due to an intrinsic mobility, the position of the third helix is less well defined in the NMR structure. To further characterize the degrees of freedom of this helix, we have measured the dipolar coupling constants in the backbone of p8 MTCP1 in a bicellar medium. We show here that including D HN dip dipolar couplings in the structure calculation protocol improves the structure of the α-hairpin but not the positioning of the third helix. This is due to the motional averaging of the dipolar couplings measured in the last helix. Performing two calculations with different force constants for the dipolar restraints highlights the inconstancy of these mobility-averaged dipolar couplings. Alternatively, prior to any structure calculations, comparing the values of the dipolar couplings measured in helix III to values back-calculated from an ideal helix demonstrates that they are atypical for a helix. This can be partly attributed to mobility effects since the inclusion of the 15 N relaxation derived order parameter allows for a better fit

  12. Analysis of transmission lines loaded with pairs of coupled resonant elements and application to sensors

    International Nuclear Information System (INIS)

    Naqui, J.; Su, L.; Mata, J.; Martín, F.

    2015-01-01

    This paper is focused on the analysis of transmission lines loaded with pairs of magnetically coupled resonators. We have considered two different structures: (i) a microstrip line loaded with pairs of stepped impedance resonators (SIRs), and (ii) a coplanar waveguide (CPW) transmission line loaded with pairs of split ring resonators (SRRs). In both cases, the line exhibits a single resonance frequency (transmission zero) if the resonators are identical (symmetric structure with regard to the line axis), and this resonance is different to the one of the line loaded with a single resonator due to inter-resonator coupling. If the structures are asymmetric, inter-resonator coupling enhances the distance between the two split resonance frequencies that arise. In spite that the considered lines and loading resonators are very different and are described by different lumped element equivalent circuit models, the phenomenology associated to the effects of coupling is exactly the same, and the resonance frequencies are given by identical expressions. The reported lumped element circuit models of both structures are validated by comparing the circuit simulations with extracted parameters with both electromagnetic simulations and experimental data. These structures can be useful for the implementation of microwave sensors based on symmetry properties. - Highlights: • Magnetic-coupling between resonant elements affects transmission properties. • Inter-resonant coupling enhances the distance of two resonant frequencies. • The structures are useful for sensors and comparators, etc

  13. Development and application of coupled system dynamics and game theory: A dynamic water conflict resolution method.

    Science.gov (United States)

    Zomorodian, Mehdi; Lai, Sai Hin; Homayounfar, Mehran; Ibrahim, Shaliza; Pender, Gareth

    2017-01-01

    Conflicts over water resources can be highly dynamic and complex due to the various factors which can affect such systems, including economic, engineering, social, hydrologic, environmental and even political, as well as the inherent uncertainty involved in many of these factors. Furthermore, the conflicting behavior, preferences and goals of stakeholders can often make such conflicts even more challenging. While many game models, both cooperative and non-cooperative, have been suggested to deal with problems over utilizing and sharing water resources, most of these are based on a static viewpoint of demand points during optimization procedures. Moreover, such models are usually developed for a single reservoir system, and so are not really suitable for application to an integrated decision support system involving more than one reservoir. This paper outlines a coupled simulation-optimization modeling method based on a combination of system dynamics (SD) and game theory (GT). The method harnesses SD to capture the dynamic behavior of the water system, utilizing feedback loops between the system components in the course of the simulation. In addition, it uses GT concepts, including pure-strategy and mixed-strategy games as well as the Nash Bargaining Solution (NBS) method, to find the optimum allocation decisions over available water in the system. To test the capability of the proposed method to resolve multi-reservoir and multi-objective conflicts, two different deterministic simulation-optimization models with increasing levels of complexity were developed for the Langat River basin in Malaysia. The later is a strategic water catchment that has a range of different stakeholders and managerial bodies, which are however willing to cooperate in order to avoid unmet demand. In our first model, all water users play a dynamic pure-strategy game. The second model then adds in dynamic behaviors to reservoirs to factor in inflow uncertainty and adjust the strategies for

  14. Development and application of coupled system dynamics and game theory: A dynamic water conflict resolution method.

    Directory of Open Access Journals (Sweden)

    Mehdi Zomorodian

    Full Text Available Conflicts over water resources can be highly dynamic and complex due to the various factors which can affect such systems, including economic, engineering, social, hydrologic, environmental and even political, as well as the inherent uncertainty involved in many of these factors. Furthermore, the conflicting behavior, preferences and goals of stakeholders can often make such conflicts even more challenging. While many game models, both cooperative and non-cooperative, have been suggested to deal with problems over utilizing and sharing water resources, most of these are based on a static viewpoint of demand points during optimization procedures. Moreover, such models are usually developed for a single reservoir system, and so are not really suitable for application to an integrated decision support system involving more than one reservoir. This paper outlines a coupled simulation-optimization modeling method based on a combination of system dynamics (SD and game theory (GT. The method harnesses SD to capture the dynamic behavior of the water system, utilizing feedback loops between the system components in the course of the simulation. In addition, it uses GT concepts, including pure-strategy and mixed-strategy games as well as the Nash Bargaining Solution (NBS method, to find the optimum allocation decisions over available water in the system. To test the capability of the proposed method to resolve multi-reservoir and multi-objective conflicts, two different deterministic simulation-optimization models with increasing levels of complexity were developed for the Langat River basin in Malaysia. The later is a strategic water catchment that has a range of different stakeholders and managerial bodies, which are however willing to cooperate in order to avoid unmet demand. In our first model, all water users play a dynamic pure-strategy game. The second model then adds in dynamic behaviors to reservoirs to factor in inflow uncertainty and adjust the

  15. Developments in and applications of capillary electrophoresis inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    Taylor, K.A.

    1999-08-01

    This project has set out to design and optimise a robust and efficient interface for capillary electrophoresis-inductively coupled plasma mass spectrometry (CE-ICP-MS) and to investigate the application of the technique in elemental speciation studies. An interface was constructed using a commercial microconcentric nebuliser (MCN) and a cyclonic spray chamber. The cyclonic spray chamber was designed specifically to provide rapid sample response and washout and to minimise sample dispersion. Isoforms of the heavy metal binding protein, metallothionein, were separated and the bound metals detected to characterise the interface. Suction from the self-aspirating nebuliser was identified as the principal factor controlling electrophoretic resolution. To maintain resolution, two methods for counterbalancing the nebuliser suction were investigated. In the first method an optimised make-up flow was employed, and in the second a negative pressure was applied to the buffer vial during the separation. The negative pressure method was preferred because it did not significantly compromise sensitivity. The MCN was found to be prone to regular blocking which compromised the analytical precision of the system. A second interface was constructed using a glass MicroMist nebuliser. The MicroMist nebuliser was found to be less prone to blocking than the MCN and significantly improved the precision of the system to less than 4.3% RSD. The MicroMist nebuliser did, however, provide a lower sensitivity. The advantage of employing an electroosmotic flow marker to correct for migration time drifts was demonstrated. A CE-ICP-MS method was developed for the speciation of selenium in selenium enriched yeasts and nutritional supplements. Selenoamino acids and inorganic selenium species were separated, as anions, under strong electroosmotic flow conditions. Methods to enhance the selenium sensitivity were investigated. A proteolytic enzyme extraction method was employed and the effect of the

  16. Application of a Coupled Eulerian-Lagrangian Technique on Constructability Problems of Site on Very Soft Soil

    Directory of Open Access Journals (Sweden)

    Junyoung Ko

    2017-10-01

    Full Text Available This paper presents the application of the Coupled Eulerian–Lagrangian (CEL technique on the constructability problems of site on very soft soil. The main objective of this study was to investigate the constructability and application of two ground improvement methods, such as the forced replacement method and the deep mixing method. The comparison between the results of CEL analyses and field investigations was performed to verify the CEL modelling. The behavior of very soft soil and constructability with methods can be appropriately investigated using the CEL technique, which would be useful tools for comprehensive reviews in preliminary design.

  17. Application of the coupled Relap5/Panther codes for PWR steam. Line break accident analysis

    International Nuclear Information System (INIS)

    Guisset, J.-P.; Bosso, S.; Charlier, A.; Delhaye, X.; Ergo, O.; Ouliddren, K.; Schneidesch, C.; Zhang, J.

    2001-01-01

    A dynamic coupling between the existing 1-dimensional thermal-hydraulics system code RELAP5 and the 3-dimensional neutronics code PANTHER is applied via the transient analysis code linkage program TALINK. An interface between PANTHER and the subchannel thermal-hydraulic analysis code COBRA 3C allows direct evaluation of the Departure from Nucleate Boiling Ratio in parallel with the coupled PANTHER/RELAP5 simulation. The coupled codes are applied to develop a Final Safety Analysis Report (FSAR) accident analysis methodology for the major Steam Line Break (SLB) accident at hot zero power in a typical three-loop pressurised water reactor. In this methodology, the uncertainties related to the plant, core thermal-hydraulic and neutronic parameters are combined in a deterministic bounding approach based on sensitivity studies. The results of coupled thermal-hydraulic and neutronic analysis of SLB are presented and discussed. It is shown that there exists an important margin in the traditional FSAR accident analysis for SLB, which can be attributed by the conservatism's introduced by de-coupling the plant sub-systems. (author)

  18. Application of the coupled Relap5/Panther codes for PWR steam. Line break accident analysis

    Energy Technology Data Exchange (ETDEWEB)

    Guisset, J.-P.; Bosso, S.; Charlier, A.; Delhaye, X.; Ergo, O.; Ouliddren, K.; Schneidesch, C.; Zhang, J. [Tractebel Energy Engineering, Brussels (Belgium)

    2001-07-01

    A dynamic coupling between the existing 1-dimensional thermal-hydraulics system code RELAP5 and the 3-dimensional neutronics code PANTHER is applied via the transient analysis code linkage program TALINK. An interface between PANTHER and the subchannel thermal-hydraulic analysis code COBRA 3C allows direct evaluation of the Departure from Nucleate Boiling Ratio in parallel with the coupled PANTHER/RELAP5 simulation. The coupled codes are applied to develop a Final Safety Analysis Report (FSAR) accident analysis methodology for the major Steam Line Break (SLB) accident at hot zero power in a typical three-loop pressurised water reactor. In this methodology, the uncertainties related to the plant, core thermal-hydraulic and neutronic parameters are combined in a deterministic bounding approach based on sensitivity studies. The results of coupled thermal-hydraulic and neutronic analysis of SLB are presented and discussed. It is shown that there exists an important margin in the traditional FSAR accident analysis for SLB, which can be attributed by the conservatism's introduced by de-coupling the plant sub-systems. (author)

  19. Mutual Information in Frequency and Its Application to Measure Cross-Frequency Coupling in Epilepsy

    Science.gov (United States)

    Malladi, Rakesh; Johnson, Don H.; Kalamangalam, Giridhar P.; Tandon, Nitin; Aazhang, Behnaam

    2018-06-01

    We define a metric, mutual information in frequency (MI-in-frequency), to detect and quantify the statistical dependence between different frequency components in the data, referred to as cross-frequency coupling and apply it to electrophysiological recordings from the brain to infer cross-frequency coupling. The current metrics used to quantify the cross-frequency coupling in neuroscience cannot detect if two frequency components in non-Gaussian brain recordings are statistically independent or not. Our MI-in-frequency metric, based on Shannon's mutual information between the Cramer's representation of stochastic processes, overcomes this shortcoming and can detect statistical dependence in frequency between non-Gaussian signals. We then describe two data-driven estimators of MI-in-frequency: one based on kernel density estimation and the other based on the nearest neighbor algorithm and validate their performance on simulated data. We then use MI-in-frequency to estimate mutual information between two data streams that are dependent across time, without making any parametric model assumptions. Finally, we use the MI-in- frequency metric to investigate the cross-frequency coupling in seizure onset zone from electrocorticographic recordings during seizures. The inferred cross-frequency coupling characteristics are essential to optimize the spatial and spectral parameters of electrical stimulation based treatments of epilepsy.

  20. Applications of Palladium-Catalyzed C-N Cross-Coupling Reactions.

    Science.gov (United States)

    Ruiz-Castillo, Paula; Buchwald, Stephen L

    2016-10-12

    Pd-catalyzed cross-coupling reactions that form C-N bonds have become useful methods to synthesize anilines and aniline derivatives, an important class of compounds throughout chemical research. A key factor in the widespread adoption of these methods has been the continued development of reliable and versatile catalysts that function under operationally simple, user-friendly conditions. This review provides an overview of Pd-catalyzed N-arylation reactions found in both basic and applied chemical research from 2008 to the present. Selected examples of C-N cross-coupling reactions between nine classes of nitrogen-based coupling partners and (pseudo)aryl halides are described for the synthesis of heterocycles, medicinally relevant compounds, natural products, organic materials, and catalysts.

  1. Application of Enzyme Coupling Reactions to Shift Thermodynamically Limited Biocatalytic Reactions

    DEFF Research Database (Denmark)

    Abu, Rohana; Woodley, John M.

    2015-01-01

    , it can be challenging to combine several engineered enzymes in vitro for the conversion of non-natural substrates. In this mini-review we focus on enzyme coupling reactions as a tool to alleviate thermodynamic constraints in synthetically useful biocatalytic reactions. The implications of thermodynamic...... shift the equilibrium of otherwise thermodynamically unfavourable reactions to give a higher conversion of the target product. By coupling an energetically unfavourable reaction with a more favourable one, the multi-enzyme cascade mimics the approach taken in nature in metabolic pathways. Nevertheless...

  2. A coupled modelling system for the Irish Sea and Liverpool Bay with application to coastal flood forecasting and beyond

    Science.gov (United States)

    Wolf, J.; Bricheno, L. R.; Brown, J. E.; Bolaños, R.

    2012-04-01

    The POLCOMS-WAM coupled wave and hydrodynamic model has been implemented at 1.8km resolution for the Irish Sea and 180m in a nested model of Liverpool Bay. It can be forced with output from the UK Met Office Unified Model. This allows the use of Smith and Banke (1975) and Charnock (1955) formulations for the wind-stress. The former gives an underestimate of the wind-stress, requiring enhanced winds for accurate surge hindcasts. While the latter gives good results for the Irish Sea and Liverpool Bay, with different values of the Charnock coefficient, it also allows the inclusion of a coupled wave stress into the wind-stress (Brown and Wolf, 2009). New results have been obtained by using wind and pressures from the WRF atmospheric model, allowing further development of air-sea coupling. The coupled model also includes bottom friction and the Doppler shift of the waves by the depth-averaged current), as well as advanced coupling procedures: use of the 3D current in the wave physics and calculation of radiation stress and Stokes' drift (Brown et al., 2011). During storm conditions it is found that the radiation stress is the most important term in this shallow water application. However, WAM runs in near real time, making this model only practical for research purposes. The model system has been used to hindcast tides, surges and waves in Liverpool Bay. Data are readily available from the Liverpool Bay Coastal Observatory to quantify the importance of each coupled term with the aim of producing the most accurate model setup for coastal forecasting. A storm event, 18th January 2007, has been hindcast to investigate extreme tide-surge-wave condition both offshore and inshore. During storm events, wave setup in shallow regions can contribute significantly to the total water elevation. The application of a 2D method to calculate radiation stress in a 3D hydrodynamic model is thoroughly examined by comparison with observations and a 3D model (Mellor, 2003). The results show

  3. Improving the sensitivity of J coupling measurements in solids with application to disordered materials

    International Nuclear Information System (INIS)

    Guerry, Paul; Brown, Steven P.; Smith, Mark E.

    2016-01-01

    It has been shown previously that for magic angle spinning (MAS) solid state NMR the refocused INADEQUATE spin-echo (REINE) experiment can usefully quantify scalar (J) couplings in disordered solids. This paper focuses on the two z filter components in the original REINE pulse sequence, and investigates by means of a product operator analysis and fits to density matrix simulations the effects that their removal has on the sensitivity of the experiment and on the accuracy of the extracted J couplings. The first z filter proves unnecessary in all the cases investigated here and removing it increases the sensitivity of the experiment by a factor ∼1.1–2.0. Furthermore, for systems with broad isotropic chemical shift distributions (namely whose full widths at half maximum are greater than 30 times the mean J coupling strength), the second z filter can also be removed, thus allowing whole-echo acquisition and providing an additional √2 gain in sensitivity. Considering both random and systematic errors in the values obtained, J couplings determined by fitting the intensity modulations of REINE experiments carry an uncertainty of 0.2–1.0 Hz (∼1−10 %).

  4. 'Click' dendritic phosphines: design, synthesis, application in Suzuki coupling, and recycling by nanofiltration

    NARCIS (Netherlands)

    Janssen, M.C.C.; Vogt, D.; Müller, C.

    2009-01-01

    A new synthetic route towards stable molecular-weight enlarged monodentate phosphine ligands via click chemistry was developed. These ligands were applied in the Pd-catalyzed Suzuki-Miyaura coupling of aryl halides and phenyl boronic acid. The supported systems show very similar activities compared

  5. Higher dimensional models of cross-coupled oscillators and application to design

    KAUST Repository

    Elwakil, Ahmed S.; Salama, Khaled N.

    2010-01-01

    We present four-dimensional and five-dimensional models for classical cross-coupled LC oscillators. Using these models, sinusoidal oscillation condition, frequency and amplitude can be found. Further, undesired behaviors such as relaxation-mode oscillations and latchup can be explained and detected. A simple graphical design procedure is also described. © 2010 World Scientific Publishing Company.

  6. Communication: Application of state-specific multireference coupled cluster methods to core-level excitations

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Bhaskaran-Neir, K.; Govind, N.; Pittner, Jiří

    2012-01-01

    Roč. 137, č. 17 (2012), s. 171101 ISSN 0021-9606 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : coupled cluster calculations * electron correlations * excited states Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  7. A polynomial expansion method and its application in the coupled Zakharov-Kuznetsov equations

    International Nuclear Information System (INIS)

    Huang Wenhua

    2006-01-01

    A polynomial expansion method is presented to solve nonlinear evolution equations. Applying this method, the coupled Zakharov-Kuznetsov equations in fluid system are studied and many exact travelling wave solutions are obtained. These solutions include solitary wave solutions, periodic solutions and rational type solutions

  8. Higher dimensional models of cross-coupled oscillators and application to design

    KAUST Repository

    Elwakil, Ahmed S.

    2010-06-01

    We present four-dimensional and five-dimensional models for classical cross-coupled LC oscillators. Using these models, sinusoidal oscillation condition, frequency and amplitude can be found. Further, undesired behaviors such as relaxation-mode oscillations and latchup can be explained and detected. A simple graphical design procedure is also described. © 2010 World Scientific Publishing Company.

  9. A Single-Stage High-Power-Factor Light-Emitting Diode (LED Driver with Coupled Inductors for Streetlight Applications

    Directory of Open Access Journals (Sweden)

    Chun-An Cheng

    2017-02-01

    Full Text Available This paper presents and implements a single-stage high-power-factor light-emitting diode (LED driver with coupled inductors, suitable for streetlight applications. The presented LED driver integrates an interleaved buck-boost power factor correction (PFC converter with coupled inductors and a half-bridge-type series-resonant converter cascaded with a full-bridge rectifier into a single-stage power conversion circuit. Coupled inductors inside the interleaved buck-boost PFC converter sub-circuit are designed to operate in discontinuous conduction mode (DCM for achieving input-current shaping, and the half-bridge-type series resonant converter cascaded with a full-bridge rectifier is designed for obtaining zero-voltage switching (ZVS on two power switches to reduce their switching losses. Analysis of operational modes and design equations for the presented LED driver are described and included. In addition, the presented driver features a high power factor, low total harmonic distortion (THD of input current, and soft switching. Finally, a prototype driver is developed and implemented to supply a 165-W-rated LED streetlight module with utility-line input voltages ranging from 210 to 230 V. Experimental results demonstrate that high power factor (>0.99, low utility-line current THD (<7%, low-output voltage ripples (<1%, low-output current ripples (<10%, and high circuit efficiency (>90% are obtained in the presented single-stage driver for LED streetlight applications.

  10. Two- and four-component relativistic generalized-active-space coupled cluster method: implementation and application to BiH.

    Science.gov (United States)

    Sørensen, Lasse K; Olsen, Jeppe; Fleig, Timo

    2011-06-07

    A string-based coupled-cluster method of general excitation rank and with optimal scaling which accounts for special relativity within the four-component framework is presented. The method opens the way for the treatment of multi-reference problems through an active-space inspired single-reference based state-selective expansion of the model space. The evaluation of the coupled-cluster vector function is implemented by considering contractions of elementary second-quantized operators without setting up the amplitude equations explicitly. The capabilities of the new method are demonstrated in application to the electronic ground state of the bismuth monohydride molecule. In these calculations simulated multi-reference expansions with both doubles and triples excitations into the external space as well as the regular coupled-cluster hierarchy up to full quadruples excitations are compared. The importance of atomic outer core-correlation for obtaining accurate results is shown. Comparison to the non-relativistic framework is performed throughout to illustrate the additional work of the transition to the four-component relativistic framework both in implementation and application. Furthermore, an evaluation of the highest order scaling for general-order expansions is presented. © 2011 American Institute of Physics

  11. Design of a Short/Open-Ended Slot Antenna with Capacitive Coupling Feed Strips for Hepta-Band Mobile Application

    Directory of Open Access Journals (Sweden)

    Kyoseung Keum

    2018-01-01

    Full Text Available In this paper, a planar printed hybrid short/open-ended slot antenna with capacitive coupling feed strips is proposed for hepta-band mobile applications. The proposed antenna is comprised of a slotted ground plane on the top plane and two capacitive coupling feed strips with a chip inductor on the bottom plane. At the low frequency band, the short-ended long slot fed by strip 1 generates its half-wavelength resonance mode, whereas the T-shaped open ended slot fed by strip 2 generates its quarter-wavelength resonance mode for the high frequency band. The antenna provides a wide bandwidth covering GSM850/GSM900/DCS/PCS/UMTS/LTE2300/LTE2500 operation bands. Moreover, the antenna occupies a small volume of 15 mm × 50 mm × 1 mm. The operating principle of the proposed antenna and the simulation/measurement results are presented and discussed.

  12. Application of Bibliographic Coupling versus Cited Titles Words in Patent Fuzzy Clustering

    Directory of Open Access Journals (Sweden)

    Anahita Kermani

    2013-03-01

    Full Text Available Attribute selection is one of the steps before patent clustering. Various attributes can be used for clustering. In this study, the effect of using citation and citation title words, respectively, in form of bibliographic coupling and citation title words sharing, were measured and compared with each other, as patent attributes. This study was done in an experimental method, on a collection of 717 US Patent cited in the patents belong to 977/774 subclass of US Patent Classification. Fuzzy C-means was used for patent clustering and extended BCubed precision and extended BCubed recall were used as evaluation measure. The results showed that the clustering produced by bibliographic coupling had better performance than clustering used citation title words and existence of cluster structure were in a wider range of exhaustivity than citation title words.

  13. Addressing Culture, Gender, and Power with Asian American Couples: Application of Socio-Emotional Relationship Therapy.

    Science.gov (United States)

    ChenFeng, Jessica; Kim, Lana; Wu, Yuwei; Knudson-Martin, Carmen

    2017-09-01

    Asian Americans juggle the intersections of multiple social identities and societal discourses as they respond to experiences of immigration, marginalization, and patriarchy, integrate collectivist and individualistic family values, and form families and intimate relationships. In this study we examine what we have learned as we apply Socio-Emotional Relationship Therapy (SERT) with heterosexual couples of Asian heritage. SERT begins with sociocultural attunement and the assumption that relationships should mutually support each partner. Drawing on case examples, we illustrate how we practice sociocultural attunement as couples respond to the relational processes that comprise the Circle of Care (mutual influence, vulnerability, attunement, and shared relational responsibility). We emphasize three key socioemotional themes that intersect with gender: (1) intangible loss; (2) quiet fortitude/not burdening others; and (3) duty to the family. © 2016 Family Process Institute.

  14. Demonstration of an elastically coupled twist control concept for tilt rotor blade application

    Science.gov (United States)

    Lake, R. C.; Nixon, M. W.; Wilbur, M. L.; Singleton, J. D.; Mirick, P. H.

    1994-01-01

    The purpose of this Note is to present results from an analytic/experimental study that investigated the potential for passively changing blade twist through the use of extension-twist coupling. A set of composite model rotor blades was manufactured from existing blade molds for a low-twist metal helicopter rotor blade, with a view toward establishing a preliminary proof concept for extension-twist-coupled rotor blades. Data were obtained in hover for both a ballasted and unballasted blade configuration in sea-level atmospheric conditions. Test data were compared with results obtained from a geometrically nonlinear analysis of a detailed finite element model of the rotor blade developed in MSC/NASTRAN.

  15. Outer Synchronization between Two Coupled Complex Networks and Its Application in Public Traffic Supernetwork

    Directory of Open Access Journals (Sweden)

    Wen-ju Du

    2016-01-01

    Full Text Available The paper presents a new urban public traffic supernetwork model by using the existing bus network modeling method, consisting of the conventional bus traffic network and the urban rail traffic network. We investigate the synchronization problem of urban public traffic supernetwork model by using the coupled complex network’s outer synchronization theory. Analytical and numerical simulations are given to illustrate the impact of traffic dispatching frequency and traffic lines optimization to the urban public traffic supernetwork balance.

  16. Application of heterocyclic aldehydes as components in Ugi–Smiles couplings

    Directory of Open Access Journals (Sweden)

    Katelynn M. Mason

    2016-09-01

    Full Text Available Efficient one-pot Ugi–Smiles couplings are reported for the use of furyl-substituted aldehyde components. In the presence of these heterocyclic aldehydes, reactions tolerated variations in amine components and led to either isolated N-arylamide Ugi–Smiles adducts or N-arylepoxyisoindolines, products of tandem Ugi–Smiles Diels–Alder cyclizations, in moderate yields. A thienyl-substituted aldehyde was also a competent component for Ugi–Smiles adduct formation.

  17. Analytically continued Fock space multi-reference coupled-cluster theory: Application to the shape resonance

    International Nuclear Information System (INIS)

    Pal, Sourav; Sajeev, Y.; Vaval, Nayana

    2006-01-01

    The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e - -C 2 H 4 and e - -Mg

  18. Development of a dynamic coupled hydro-geomechanical code and its application to induced seismicity

    Science.gov (United States)

    Miah, Md Mamun

    This research describes the importance of a hydro-geomechanical coupling in the geologic sub-surface environment from fluid injection at geothermal plants, large-scale geological CO2 sequestration for climate mitigation, enhanced oil recovery, and hydraulic fracturing during wells construction in the oil and gas industries. A sequential computational code is developed to capture the multiphysics interaction behavior by linking a flow simulation code TOUGH2 and a geomechanics modeling code PyLith. Numerical formulation of each code is discussed to demonstrate their modeling capabilities. The computational framework involves sequential coupling, and solution of two sub-problems- fluid flow through fractured and porous media and reservoir geomechanics. For each time step of flow calculation, pressure field is passed to the geomechanics code to compute effective stress field and fault slips. A simplified permeability model is implemented in the code that accounts for the permeability of porous and saturated rocks subject to confining stresses. The accuracy of the TOUGH-PyLith coupled simulator is tested by simulating Terzaghi's 1D consolidation problem. The modeling capability of coupled poroelasticity is validated by benchmarking it against Mandel's problem. The code is used to simulate both quasi-static and dynamic earthquake nucleation and slip distribution on a fault from the combined effect of far field tectonic loading and fluid injection by using an appropriate fault constitutive friction model. Results from the quasi-static induced earthquake simulations show a delayed response in earthquake nucleation. This is attributed to the increased total stress in the domain and not accounting for pressure on the fault. However, this issue is resolved in the final chapter in simulating a single event earthquake dynamic rupture. Simulation results show that fluid pressure has a positive effect on slip nucleation and subsequent crack propagation. This is confirmed by

  19. Efficient Substrate Noise Coupling Verification and Failure Analysis Methodology for Smart Power ICs in Automotive Applications

    OpenAIRE

    Moursy , Yasser; Zou , Hao; Khalil , Raouf; Iskander , Ramy; Tisserand , Pierre; Ton , Dieu-My; Pasetti , Giuseppe; Louërat , Marie-Minerve

    2016-01-01

    International audience; This paper presents a methodology to analyze the substrate noise coupling and reduce their effects in smart power integrated circuits. This methodology considers the propagation of minority carriers in the substrate. Hence, it models the lateral bipolar junction transistors that are layout dependent and are not modeled in conventional substrate extraction tools. It allows the designer to simulate substrate currents and check their effects on circuits functionality. The...

  20. The stability of coupled renewal-differential equations with econometric applications

    Science.gov (United States)

    Rhoten, R. P.; Aggarwal, J. K.

    1969-01-01

    Concepts and results are presented in the fields of mathematical modeling, economics, and stability analysis. A coupled renewal-differential equation structure is presented as a modeling form for systems possessing hereditary characteristics, and this structure is applied to a model of the Austrian theory of business cycles. For realistic conditions, the system is shown to have an infinite number of poles, and conditions are presented which are both necessary and sufficient for all poles to lie strictly in the left half plane.

  1. Current medical research with the application of coupled techniques with mass spectrometry

    OpenAIRE

    Ka?u?na-Czapli?ska, Joanna

    2011-01-01

    Summary The most effective methods of analysis of organic compounds in biological fluids are coupled chromatographic techniques. Capillary gas chromatography/mass spectrometry (GC-MS) allows the most efficient separation, identification and quantification of volatile metabolites in biological fluids. Liquid chromatography-mass spectrometry (LC-MS) is especially suitable for the analysis of non-volatile and/or thermally unstable compounds. A major drawback of liquid chromatography-mass spectro...

  2. Integrated CFD Model for Nanoparticle Production in Inductively Coupled Plasma Reactor: Implementation and Application

    OpenAIRE

    Benros Santos Lopes, Silvania

    2016-01-01

    Nanoparticles represent a very exciting new area of research. Their small size, ranging from several nanometers to tens of nanometers, is responsible for many changes in the structural, thermal, electromagnetic, optical and mechanical properties in comparison with the bulk solid of the same materials. However, promoting the use of such material requires well-controlled synthesis techniques to be developed. Inductively coupled thermal plasma (ICTP) reactors have been shown to offer unique adva...

  3. Coplanar UHF RFID tag antenna with U-shaped inductively coupled feed for metallic applications.

    Directory of Open Access Journals (Sweden)

    Karrar Naji Salman

    Full Text Available In this paper, we present a novel compact, coplanar, tag antenna design for metallic objects. Electrically small antenna has designed for a UHF RFID (860-960 MHz based on a proximity-coupled feed through. Furthermore, two symmetrical Via-loaded coplanar grounds fed by a U-shaped inductively coupled feed through an embedded transmission line. This configuration results in an antenna with dimensions of 31 × 19.5 × 3.065 mm3 at 915 MHz, and the total gain for the antenna is 0.12 dBi. The Via-loaded coplanar and U-shaped inductively coupled feeds allow the antenna to provide flexible tuning in terms of antenna impedance. In addition, a figure of merit is applied for the proposed tag antenna, and the results are presented. The read range is measured to be 4.2 m, which is very close to simulated values. This antenna measurement shows very good agreement with simulations.

  4. Matter couplings in Horava-Lifshitz theories and their cosmological applications

    International Nuclear Information System (INIS)

    Carloni, Sante; Elizalde, Emilio; Silva, Pedro J

    2011-01-01

    In this paper, the issue of how to introduce matter in Horava-Lifshitz theories of gravity is addressed. This is a key point in order to complete the proper definition of these theories and, more importantly, to study their possible phenomenological implications. As is well known, in Horava-Lifshitz gravity, the breakdown of Lorentz invariance invalidates the usual notion of minimally coupled matter. Two different approaches to bypass this problem are described here. One is based on a Kaluza-Klein reinterpretation of the 3+1 decomposition of the gravity degrees of freedom, which naturally leads to a definition of a U(1) gauge symmetry and, hence, to a new type of minimal coupling. The other approach relies on a midi-superspace formalism and the subsequent parametrization of the matter stress-energy tensor in terms of deep infrared variables. Using the last option, the phase space of Horava-Lifshitz cosmology in the presence of general matter couplings is studied. It is found, in particular, that the equation of state of the effective matter may be very different from the actual matter one, owing to the nonlinear interactions which exist between matter and gravity.

  5. DESIGN OF MULTILAYER APERTURE COUPLED STACKED MICROSTRIP PATCH ANTENNA FOR WLAN APPLICATIONS

    Directory of Open Access Journals (Sweden)

    P. Jothilakshmi

    2015-10-01

    Full Text Available One of the major drawbacks of microstrip patch antenna is its narrow bandwidth. The solution of this problem is to use aperture coupled stacked micro strip patch antenna. The antenna uses a combination of aperture coupled feeding technique and multi- layer radiating patch in order for the radiating elements are increase the gain bandwidth. The ‘I’ and ‘H’ shaped aperture slots are etched onto the ground plane. It is used to transfer the energy from feed line to stacked patch. A variation of the feed line length controls the selected aperture slots to be active. The waves from the selected activated aperture slots will radiate to particular radiating patch and achieve the desired resonant frequency. The air gap is used to avoid coupling loss between the aperture slots and stacked patches. The observed simulated and measured results show that the proposed antenna structure resonated at 2.51 GHz frequency with reduced return loss and optimum voltage standing wave ratio.

  6. Review: Current applications and challenges for liquid chromatography coupled to isotope ratio mass spectrometry (LC/IRMS).

    Science.gov (United States)

    Godin, Jean-Philippe; McCullagh, James S O

    2011-10-30

    High-precision isotope analysis is recognized as an essential research tool in many fields of study. Until recently, continuous flow isotope ratio mass spectrometry (CF-IRMS) was available via an elemental analyzer or a gas chromatography inlet system for compound-specific analysis of light stable isotopes. In 2004, however, an interface that coupled liquid chromatography with IRMS (LC/IRMS) became commercially available for the first time. This brought the capability for new areas of application, in particular enabling compound-specific δ(13)C analysis of non-volatile, aqueous soluble, compounds from complex mixtures. The interface design brought with it several analytical constraints, however, in particular a lack of compatibility with certain types of chromatography as well as limited flow rates and mobile phase compositions. Routine LC/IRMS methods have, however, been established for measuring the δ(13)C isotopic ratios of underivatized individual compounds for application in archeology, nutrition and physiology, geochemistry, hydrology, soil science and food authenticity. Seven years after its introduction, we review the technical advances and constraints, methodological developments and new applications of liquid chromatography coupled to isotope ratio mass spectrometry. Copyright © 2011 John Wiley & Sons, Ltd.

  7. Simulation of coupled geochemical reactions and hydrodynamical processes in porous media - application to CO2 storage and uranium exploitation

    International Nuclear Information System (INIS)

    Lagneau, Vincent

    2013-01-01

    This report is a snapshot after sixteen years of research in the field of reactive transport, since the beginning of my Ph.D. in 1997. The research revolves around two poles: on the one hand the development of the reactive transport code Hytec, on the other hand application of the code in different fields of the Earth Sciences. The first two parts of the report detail several key points from this research work, most of them published or being published, following the dual development/application logic. The last part opens towards interesting future work. Development of a reactive transport code: The first part, mostly numeric analysis, details the main features of the code Hytec, in which I have been heavily involved since I joined the laboratory. The underlying equations of the model are given. The resolution methods rely on a finite volume discretization over a Voronoi mesh for the whole hydrodynamic part (flow, transport, heat). Coupling between chemistry and transport is performed through a sequential iterative scheme. Specific developments are then presented. The feedback of chemistry on transport requires specific coupling treatment to ensure convergence to the correct solution: the effects need to be taken care of within the coupling iterations. Dual porosity simulation can be elegantly simulated by duplicating the chemical nodes. Integrating the simulation of gases have implications on the flow (simultaneous resolution of the pressure and saturation equations), and transport-solver (species in the gas phase independently of the water phase), and finally coupling with chemistry and gas-water equilibrium. Applications The Hytec code is used in various domains of the Earth Sciences, in and out our laboratory notably by the members of the consortium Pole Geochimie Transport (Reactive transport group). The document details two families of applications I have been particularly interested in over these years. The geologic storage of CO 2 is a potential technology

  8. Nonlinear Dynamics, Fixed Points and Coupled Fixed Points in Generalized Gauge Spaces with Applications to a System of Integral Equations

    Directory of Open Access Journals (Sweden)

    Adrian Petruşel

    2015-01-01

    Full Text Available We will discuss discrete dynamics generated by single-valued and multivalued operators in spaces endowed with a generalized metric structure. More precisely, the behavior of the sequence (fn(xn∈N of successive approximations in complete generalized gauge spaces is discussed. In the same setting, the case of multivalued operators is also considered. The coupled fixed points for mappings t1:X1×X2→X1 and t2:X1×X2→X2 are discussed and an application to a system of nonlinear integral equations is given.

  9. FIFRELIN - TRIPOLI-4® coupling for Monte Carlo simulations with a fission model. Application to shielding calculations

    Science.gov (United States)

    Petit, Odile; Jouanne, Cédric; Litaize, Olivier; Serot, Olivier; Chebboubi, Abdelhazize; Pénéliau, Yannick

    2017-09-01

    TRIPOLI-4® Monte Carlo transport code and FIFRELIN fission model have been coupled by means of external files so that neutron transport can take into account fission distributions (multiplicities and spectra) that are not averaged, as is the case when using evaluated nuclear data libraries. Spectral effects on responses in shielding configurations with fission sampling are then expected. In the present paper, the principle of this coupling is detailed and a comparison between TRIPOLI-4® fission distributions at the emission of fission neutrons is presented when using JEFF-3.1.1 evaluated data or FIFRELIN data generated either through a n/g-uncoupled mode or through a n/g-coupled mode. Finally, an application to a modified version of the ASPIS benchmark is performed and the impact of using FIFRELIN data on neutron transport is analyzed. Differences noticed on average reaction rates on the surfaces closest to the fission source are mainly due to the average prompt fission spectrum. Moreover, when working with the same average spectrum, a complementary analysis based on non-average reaction rates still shows significant differences that point out the real impact of using a fission model in neutron transport simulations.

  10. A study of the Fe(III)/Fe(II)-triethanolamine complex redox couple for redox flow battery application

    International Nuclear Information System (INIS)

    Wen, Y.H.; Zhang, H.M.; Qian, P.; Zhou, H.T.; Zhao, P.; Yi, B.L.; Yang, Y.S.

    2006-01-01

    The electrochemical behavior of the Fe(III)/Fe(II)-triethanolamine(TEA) complex redox couple in alkaline medium and influence of the concentration of TEA were investigated. A change of the concentration of TEA mainly produces the following two results. (1) With an increase of the concentration of TEA, the solubility of the Fe(III)-TEA can be increased to 0.6 M, and the solubility of the Fe(II)-TEA is up to 0.4 M. (2) In high concentration of TEA with the ratio of TEA to NaOH ranging from 1 to 6, side reaction peaks on the cathodic main reaction of the Fe(III)-TEA complex at low scan rate can be minimized. The electrode process of Fe(III)-TEA/Fe(II)-TEA is electrochemically reversible with higher reaction rate constant than the uncomplexed species. Constant current charge-discharge shows that applying anodic active materials of relatively high concentrations facilitates the improvement of cell performance. The open-circuit voltage of the Fe-TEA/Br 2 cell with the Fe(III)-TEA of 0.4 M, after full charging, is nearly 2.0 V and is about 32% higher than that of the all-vanadium batteries, together with the energy efficiency of approximately 70%. The preliminary exploration shows that the Fe(III)-TEA/Fe(II)-TEA couple is electrochemically promising as negative redox couple for redox flow battery (RFB) application

  11. Multiple coupled landscapes and non-adiabatic dynamics with applications to self-activating genes.

    Science.gov (United States)

    Chen, Cong; Zhang, Kun; Feng, Haidong; Sasai, Masaki; Wang, Jin

    2015-11-21

    Many physical, chemical and biochemical systems (e.g. electronic dynamics and gene regulatory networks) are governed by continuous stochastic processes (e.g. electron dynamics on a particular electronic energy surface and protein (gene product) synthesis) coupled with discrete processes (e.g. hopping among different electronic energy surfaces and on and off switching of genes). One can also think of the underlying dynamics as the continuous motion on a particular landscape and discrete hoppings among different landscapes. The main difference of such systems from the intra-landscape dynamics alone is the emergence of the timescale involved in transitions among different landscapes in addition to the timescale involved in a particular landscape. The adiabatic limit when inter-landscape hoppings are fast compared to continuous intra-landscape dynamics has been studied both analytically and numerically, but the analytical treatment of the non-adiabatic regime where the inter-landscape hoppings are slow or comparable to continuous intra-landscape dynamics remains challenging. In this study, we show that there exists mathematical mapping of the dynamics on 2(N) discretely coupled N continuous dimensional landscapes onto one single landscape in 2N dimensional extended continuous space. On this 2N dimensional landscape, eddy current emerges as a sign of non-equilibrium non-adiabatic dynamics and plays an important role in system evolution. Many interesting physical effects such as the enhancement of fluctuations, irreversibility, dissipation and optimal kinetics emerge due to non-adiabaticity manifested by the eddy current illustrated for an N = 1 self-activator. We further generalize our theory to the N-gene network with multiple binding sites and multiple synthesis rates for discretely coupled non-equilibrium stochastic physical and biological systems.

  12. Evanescent-wave coupled right angled buried waveguide: Applications in carbon nanotube mode-locking

    International Nuclear Information System (INIS)

    Mary, R.; Thomson, R. R.; Kar, A. K.; Brown, G.; Beecher, S. J.; Popa, D.; Sun, Z.; Torrisi, F.; Hasan, T.; Milana, S.; Bonaccorso, F.; Ferrari, A. C.

    2013-01-01

    We present an evanescent-field device based on a right-angled waveguide. This consists of orthogonal waveguides, with their points of intersection lying along an angled facet of the chip. Light guided along one waveguide is incident at the angled dielectric-air facet at an angle exceeding the critical angle, so that the totally internally reflected light is coupled into the second waveguide. By depositing a nanotube film on the angled surface, the chip is then used to mode-lock an Erbium doped fiber ring laser with a repetition rate of 26 MHz, and pulse duration of 800 fs

  13. Applications of inductively coupled plasma spectroscopy to geochemical reconnaissance for uranium exploration

    International Nuclear Information System (INIS)

    Cagle, G.W.; Butz, T.R.

    1980-01-01

    The analysis of large numbers of natural groundwater and stream sediment samples by Inductively Coupled Plasma (ICP) Spectroscopy has been applied to a geochemical reconnaissance program as part of the National Uranium Resource Evaluation Program. Approximately 25 elements have been determined in over 60,000 samples by ICP analysis. These data are combined with additional measurements obtained by atomic absorption, colorimetry, neutron activation, and fluorescence spectroscopy. Results are presented and interpreted in terms of the uranium favorability of areas in Texas where this survey has been completed

  14. Dynamical coupled-channels model for meson productions and application to strange nuclear physics

    International Nuclear Information System (INIS)

    Nakamura, S.X.; Kamano, H.; Lee, T.-S.H.; Sato, T.

    2013-01-01

    We discuss our dynamical coupled-channels (DCC) model in the context of extracting interesting strange nuclear physics from forthcoming J-PARC data. We describe the dynamical contents of the model, and its capability of describing a large amount of data of S=0 sector, namely, πN, γN → πN, ηN, KΛ, KΣ data. Then we discuss future extensions of the DCC model to S ≠ 0 and B ≥ 1 sectors. We emphasize that realistic amplitudes will be essential for extracting interesting physics from data, and the extended DCC model will play an important role there. (author)

  15. Application of capacitively coupled rf discharge plasma for sterilization of polymer materials used in ophthalmology

    International Nuclear Information System (INIS)

    Abdullin, I.Sh.; Avetisov, S.E.; Lipatov, D.V.; Rybakova, E.G.; Bragin, V.E.; Bykanov, A.N.; Kamarentsev, E.N.

    1996-01-01

    The sterilization effect of capacitively coupled rf discharge plasma treatment of contact lenses was investigated. There were used two types of polymer: highly hydrophilic polymer with water content 76% (Navelen-76) and poly-methylmethacrylate (PMMA). There was demonstrated the possibility of effective sterilization by RF discharge plasma of a set of polymer materials used in ophthalmology. The best results were obtained for hard contact lenses. There was perfect sterilization in this case. There were not perfect sterilization in some cases of soft contact lenses treatment. It may be caused by porous structure of the external layers of this material and limited thickness of the sterilization layer. (author)

  16. Coupling photon Monte Carlo simulation and CAD software. Application to X-ray nondestructive evaluation

    International Nuclear Information System (INIS)

    Tabary, J.; Gliere, A.

    2001-01-01

    A Monte Carlo radiation transport simulation program, EGS Nova, and a computer aided design software, BRL-CAD, have been coupled within the framework of Sindbad, a nondestructive evaluation (NDE) simulation system. In its current status, the program is very valuable in a NDE laboratory context, as it helps simulate the images due to the uncollided and scattered photon fluxes in a single NDE software environment, without having to switch to a Monte Carlo code parameters set. Numerical validations show a good agreement with EGS4 computed and published data. As the program's major drawback is the execution time, computational efficiency improvements are foreseen. (orig.)

  17. The development and application of landscape evolution models to coupled coast-estuarine environments

    Science.gov (United States)

    Morris, Chloe; Coulthard, Tom; Parsons, Daniel R.; Manson, Susan; Barkwith, Andrew

    2017-04-01

    Landscape Evolution Models (LEMs) are proven to be useful tools in understanding the morphodynamics of coast and estuarine systems. However, perhaps owing to the lack of research in this area, current models are not capable of simulating the dynamic interactions between these systems and their co-evolution at the meso-scale. Through a novel coupling of numerical models, this research is designed to explore coupled coastal-estuarine interactions, controls on system behaviour and the influence that environmental change could have. This will contribute to the understanding of the morphodynamics of these systems and how they may behave and evolve over the next century in response to climate changes, with the aim of informing management practices. This goal is being achieved through the modification and coupling of the one-line Coastline Evolution Model (CEM) with the hydrodynamic LEM CAESAR-Lisflood (C-L). The major issues faced with coupling these programs are their differing complexities and the limited graphical visualisations produced by the CEM that hinder the dissemination of results. The work towards overcoming these issues and reported here, include a new version of the CEM that incorporates a range of more complex geomorphological processes and boasts a graphical user interface that guides users through model set-up and projects a live output during model runs. The improved version is a stand-alone tool that can be used for further research projects and for teaching purposes. A sensitivity analysis using the Morris method has been completed to identify which key variables, including wave climate, erosion and weathering values, dominate the control of model behaviour. The model is being applied and tested using the evolution of the Holderness Coast, Humber Estuary and Spurn Point on the east coast of England (UK), which possess diverse geomorphologies and complex, co-evolving sediment pathways. Simulations using the modified CEM are currently being completed to

  18. Application of a particle separation device to reduce inductively coupled plasma-enhanced elemental fractionation in laser ablation-inductively coupled plasma-mass spectrometry

    International Nuclear Information System (INIS)

    Guillong, Marcel; Kuhn, Hans-Rudolf; Guenther, Detlef

    2003-01-01

    The particle size distribution of laser ablation aerosols are a function of the wavelength, the energy density and the pulse duration of the laser, as well as the sample matrix and the gas environment. Further the size of the particles affects the vaporization and ionization efficiency in the inductively coupled plasma (ICP). Some matrices produce large particles, which are not completely vaporized and ionized in the ICP. The previous work has shown that analytical results such as matrix-independent calibration, accuracy and precision can be significantly influenced by the particle sizes of the particles. To minimize the particle size related incomplete conversion of the sample to ions in the ICP a particle separation device was developed, which allows effective particle separation using centrifugal forces in a thin coiled tube. In this device, the particle cut-off size is varied by changing the number of turns in the coil, as well as by changing the gas flow and the tube diameter. The interaction of the laser with the different samples leads to varying particle size distributions. When carrying out quantitative analysis with non-matrix matched calibration reference materials, it was shown that different particle cut-off sizes were required depending on the ICP conditions and the instrument used for analysis. Various sample materials were investigated in this study to demonstrate the applicability of the device. For silicate matrices, the capability of the ICP to produce ions was significantly reduced for particles larger than 0.5 μm, and was dependent on the element monitored. To reduce memory effects caused by the separated particles, a washout procedure was developed, which additionally allowed the analysis of the trapped particles. These results clearly demonstrate the very important particle size dependent ICP-MS signal response and the potential of the described particle size based separator for the reduction of ICP induced elemental fractionation

  19. Coupling of a distributed stakeholder-built system dynamics socio-economic model with SAHYSMOD for sustainable soil salinity management. Part 2: Model coupling and application

    Science.gov (United States)

    Inam, Azhar; Adamowski, Jan; Prasher, Shiv; Halbe, Johannes; Malard, Julien; Albano, Raffaele

    2017-08-01

    Many simulation models focus on simulating a single physical process and do not constitute balanced representations of the physical, social and economic components of a system. The present study addresses this challenge by integrating a physical (P) model (SAHYSMOD) with a group (stakeholder) built system dynamics model (GBSDM) through a component modeling approach based on widely applied tools such as MS Excel, Python and Visual Basic for Applications (VBA). The coupled model (P-GBSDM) was applied to test soil salinity management scenarios (proposed by stakeholders) for the Haveli region of the Rechna Doab Basin in Pakistan. Scenarios such as water banking, vertical drainage, canal lining, and irrigation water reallocation were simulated with the integrated model. Spatiotemporal maps and economic and environmental trade-off criteria were used to examine the effectiveness of the selected management scenarios. After 20 years of simulation, canal lining reduced soil salinity by 22% but caused an initial reduction of 18% in farm income, which requires an initial investment from the government. The government-sponsored Salinity Control and Reclamation Project (SCARP) is a short-term policy that resulted in a 37% increase in water availability with a 12% increase in farmer income. However, it showed detrimental effects on soil salinity in the long term, with a 21% increase in soil salinity due to secondary salinization. The new P-GBSDM was shown to be an effective platform for engaging stakeholders and simulating their proposed management policies while taking into account socioeconomic considerations. This was not possible using the physically based SAHYSMOD model alone.

  20. Image processing using pulse-coupled neural networks applications in Python

    CERN Document Server

    Lindblad, Thomas

    2013-01-01

    Image processing algorithms based on the mammalian visual cortex are powerful tools for extraction information and manipulating images. This book reviews the neural theory and translates them into digital models. Applications are given in areas of image recognition, foveation, image fusion and information extraction. The third edition reflects renewed international interest in pulse image processing with updated sections presenting several newly developed applications. This edition also introduces a suite of Python scripts that assist readers in replicating results presented in the text and to further develop their own applications.

  1. Well-Posedness of a fully coupled thermo-chemo-poroelastic system with applications to petroleum rock mechanics

    Directory of Open Access Journals (Sweden)

    Tetyana Malysheva

    2017-05-01

    Full Text Available We consider a system of fully coupled parabolic and elliptic equations constituting the general model of chemical thermo-poroelasticity for a fluid-saturated porous media. The main result of this paper is the developed well-posedness theory for the corresponding initial-boundary problem arising from petroleum rock mechanics applications. Using the proposed pseudo-decoupling method, we establish, subject to some natural assumptions imposed on matrices of diffusion coefficients, the existence, uniqueness, and continuous dependence on initial and boundary data of a weak solution to the problem. Numerical experiments confirm the applicability of the obtained well-posedness results for thermo-chemo-poroelastic models with real-data parameters.

  2. Coupling Network Computing Applications in Air-cooled Turbine Blades Optimization

    Science.gov (United States)

    Shi, Liang; Yan, Peigang; Xie, Ming; Han, Wanjin

    2018-05-01

    Through establishing control parameters from blade outside to inside, the parametric design of air-cooled turbine blade based on airfoil has been implemented. On the basis of fast updating structure features and generating solid model, a complex cooling system has been created. Different flow units are modeled into a complex network topology with parallel and serial connection. Applying one-dimensional flow theory, programs have been composed to get pipeline network physical quantities along flow path, including flow rate, pressure, temperature and other parameters. These inner units parameters set as inner boundary conditions for external flow field calculation program HIT-3D by interpolation, thus to achieve full field thermal coupling simulation. Referring the studies in literatures to verify the effectiveness of pipeline network program and coupling algorithm. After that, on the basis of a modified design, and with the help of iSIGHT-FD, an optimization platform had been established. Through MIGA mechanism, the target of enhancing cooling efficiency has been reached, and the thermal stress has been effectively reduced. Research work in this paper has significance for rapid deploying the cooling structure design.

  3. Turbo-SMT: Parallel Coupled Sparse Matrix-Tensor Factorizations and Applications

    Science.gov (United States)

    Papalexakis, Evangelos E.; Faloutsos, Christos; Mitchell, Tom M.; Talukdar, Partha Pratim; Sidiropoulos, Nicholas D.; Murphy, Brian

    2016-01-01

    How can we correlate the neural activity in the human brain as it responds to typed words, with properties of these terms (like ’edible’, ’fits in hand’)? In short, we want to find latent variables, that jointly explain both the brain activity, as well as the behavioral responses. This is one of many settings of the Coupled Matrix-Tensor Factorization (CMTF) problem. Can we enhance any CMTF solver, so that it can operate on potentially very large datasets that may not fit in main memory? We introduce Turbo-SMT, a meta-method capable of doing exactly that: it boosts the performance of any CMTF algorithm, produces sparse and interpretable solutions, and parallelizes any CMTF algorithm, producing sparse and interpretable solutions (up to 65 fold). Additionally, we improve upon ALS, the work-horse algorithm for CMTF, with respect to efficiency and robustness to missing values. We apply Turbo-SMT to BrainQ, a dataset consisting of a (nouns, brain voxels, human subjects) tensor and a (nouns, properties) matrix, with coupling along the nouns dimension. Turbo-SMT is able to find meaningful latent variables, as well as to predict brain activity with competitive accuracy. Finally, we demonstrate the generality of Turbo-SMT, by applying it on a Facebook dataset (users, ’friends’, wall-postings); there, Turbo-SMT spots spammer-like anomalies. PMID:27672406

  4. Modelling coupled microbial processes in the subsurface: Model development, verification, evaluation and application

    Science.gov (United States)

    Masum, Shakil A.; Thomas, Hywel R.

    2018-06-01

    To study subsurface microbial processes, a coupled model which has been developed within a Thermal-Hydraulic-Chemical-Mechanical (THCM) framework is presented. The work presented here, focuses on microbial transport, growth and decay mechanisms under the influence of multiphase flow and bio-geochemical reactions. In this paper, theoretical formulations and numerical implementations of the microbial model are presented. The model has been verified and also evaluated against relevant experimental results. Simulated results show that the microbial processes have been accurately implemented and their impacts on porous media properties can be predicted either qualitatively or quantitatively or both. The model has been applied to investigate biofilm growth in a sandstone core that is subjected to a two-phase flow and variable pH conditions. The results indicate that biofilm growth (if not limited by substrates) in a multiphase system largely depends on the hydraulic properties of the medium. When the change in porewater pH which occurred due to dissolution of carbon dioxide gas is considered, growth processes are affected. For the given parameter regime, it has been shown that the net biofilm growth is favoured by higher pH; whilst the processes are considerably retarded at lower pH values. The capabilities of the model to predict microbial respiration in a fully coupled multiphase flow condition and microbial fermentation leading to production of a gas phase are also demonstrated.

  5. Coupled sulfur isotopic and chemical mass transfer modeling: Approach and application to dynamic hydrothermal processes

    International Nuclear Information System (INIS)

    Janecky, D.R.

    1988-01-01

    A computational modeling code (EQPSreverse arrowS) has been developed to examine sulfur isotopic distribution pathways coupled with calculations of chemical mass transfer pathways. A post processor approach to EQ6 calculations was chosen so that a variety of isotopic pathways could be examined for each reaction pathway. Two types of major bounding conditions were implemented: (1) equilibrium isotopic exchange between sulfate and sulfide species or exchange only accompanying chemical reduction and oxidation events, and (2) existence or lack of isotopic exchange between solution species and precipitated minerals, parallel to the open and closed chemical system formulations of chemical mass transfer modeling codes. All of the chemical data necessary to explicitly calculate isotopic distribution pathways is generated by most mass transfer modeling codes and can be input to the EQPS code. Routines are built in to directly handle EQ6 tabular files. Chemical reaction models of seafloor hydrothermal vent processes and accompanying sulfur isotopic distribution pathways illustrate the capabilities of coupling EQPSreverse arrowS with EQ6 calculations, including the extent of differences that can exist due to the isotopic bounding condition assumptions described above. 11 refs., 2 figs

  6. Construction of Fluid - solid Coupling Model with Improved Richards - BP & Its Engineering Application

    Science.gov (United States)

    Xie, Chengyu; Jia, Nan; Shi, Dongping; Lu, Hao

    2017-10-01

    In order to study the slurry diffusion law during grouting, Richards unsaturated-saturated model was introduced, the definition of the grouting model is clear, the Richards model control equation was established, And the BP neural network was introduced, the improved fluid-solid coupling model was constructed, Through the use of saturated - unsaturated seepage flow model, As well as the overflow boundary iterative solution of the mixed boundary conditions, the free surface is calculated. Engineering practice for an example, with the aid of multi - field coupling analysis software, the diffusion law of slurry was simulated numerically. The results show that the slurry diffusion rule is affected by grouting material, initial pressure and other factors. When the slurry starts, it flows in the cracks along the upper side of the grouting hole, when the pressure gradient is reduced to the critical pressure, that is, to the lower side of the flow, when the slurry diffusion stability, and ultimately its shape like an 8. The slurry is spread evenly from the overall point of view, from the grouting mouth toward the surrounding evenly spread, it gradually reaches saturation by non-saturation, and it is not a purely saturated flow, when the slurry spread and reach a saturated state, the diffusion time is the engineering grouting time.

  7. 5GHz LTCC-based aperture coupled wireless transmitter for system-on-package applications

    KAUST Repository

    Shamim, Atif

    2012-01-01

    A novel System-on-Package (SoP) implementation is presented for a transmitter (TX) module which makes use of electromagnetic coupling between the TX chip and the package antenna. The TX chip is realized in 0.13μm CMOS process and comprises an on-chip antenna, which serves as the oscillator\\'s inductor as well. The TX chip is housed in a Low Temperature Co-fired Ceramic (LTCC) package with a patch antenna. The on-chip antenna feeds the LTCC patch antenna through aperture coupling, thus negating the need for RF buffer amplifiers, matching elements, baluns, bond wires and package transmission lines. This is the first ever demonstration of wireless-interconnect between on-chip and package antennas which increases the gain and range of the TX module manyfold with respect to the on-chip antenna alone. Though the range of the TX SoP increases considerably, power consumption remains the same as that of the TX chip only. A simple analytical model for the new wireless-interconnect has been developed which helps determine the optimum position of the chip with respect to the aperture in the ground plane.

  8. 5GHz LTCC-based aperture coupled wireless transmitter for system-on-package applications

    KAUST Repository

    Shamim, Atif; Arsalan, Muhammad; Hojjat, Nasrin; Roy, Langis

    2012-01-01

    A novel System-on-Package (SoP) implementation is presented for a transmitter (TX) module which makes use of electromagnetic coupling between the TX chip and the package antenna. The TX chip is realized in 0.13μm CMOS process and comprises an on-chip antenna, which serves as the oscillator's inductor as well. The TX chip is housed in a Low Temperature Co-fired Ceramic (LTCC) package with a patch antenna. The on-chip antenna feeds the LTCC patch antenna through aperture coupling, thus negating the need for RF buffer amplifiers, matching elements, baluns, bond wires and package transmission lines. This is the first ever demonstration of wireless-interconnect between on-chip and package antennas which increases the gain and range of the TX module manyfold with respect to the on-chip antenna alone. Though the range of the TX SoP increases considerably, power consumption remains the same as that of the TX chip only. A simple analytical model for the new wireless-interconnect has been developed which helps determine the optimum position of the chip with respect to the aperture in the ground plane.

  9. Application of gas-coupled laser acoustic detection to gelatins and underwater sensing

    International Nuclear Information System (INIS)

    Caron, James N.; Kunapareddy, Pratima

    2014-01-01

    Gas-coupled Laser Acoustic Detection (GCLAD) has been used as a method to sense ultrasound waves in materials without contact of the material surface. To sense the waveform, a laser beam is directed parallel to the material surface and displaced or deflected when the radiated waveform traverses the beam. We present recent tests that demonstrate the potential of using this technique for detecting ultrasound in gelatin phantoms and in water. As opposed to interferometric detection, GCLAD operates independently of the optical surface properties of the material. This allows the technique to be used in cases where the material is transparent or semi-transparent. We present results on sensing ultrasound in gelatin phantoms that are used to mimic biological materials. As with air-coupled transducers, the frequency response of GCLAD at high frequencies is limited by the high attenuation of ultrasound in air. In contrast, water has a much lower attenuation. Here we demonstrate the use of a GCLAD-like system in water, measuring the directivity response at 1 MHz and sensing waveforms with higher frequency content

  10. Nuclear data uncertainties propagation methods in Boltzmann/Bateman coupled problems: Application to reactivity in MTR

    International Nuclear Information System (INIS)

    Frosio, Thomas; Bonaccorsi, Thomas; Blaise, Patrick

    2016-01-01

    Highlights: • Hybrid methods are developed for uncertainty propagation. • These methods take into account the flux perturbation in the coupled problem. • We show that OAT and MC methods give coherent results, except for Pearson correlations. • Local sensitivity analysis is performed. - Abstract: A novel method has been developed to calculate sensitivity coefficients in coupled Boltzmann/Bateman problem for nuclear data (ND) uncertainties propagation on the reactivity. Different uncertainty propagation methodologies, such as One-At-a-Time (OAT) and hybrid Monte-Carlo/deterministic methods have been tested and are discussed on an actual example of ND uncertainty problem on a Material Testing Reactor (MTR) benchmark. Those methods, unlike total Monte Carlo (MC) sampling for uncertainty propagation and quantification (UQ), allow obtaining sensitivity coefficients, as well as Bravais–Pearson correlations values between Boltzmann and Bateman, during the depletion calculation for global neutronics parameters such as the effective multiplication coefficient. The methodologies are compared to a pure MC sampling method, usually considered as the “reference” method. It is shown that methodologies can seriously underestimate propagated variances, when Bravais–Pearson correlations on ND are not taken into account in the UQ process.

  11. Assessment of systems codes and their coupling with CFD codes in thermal–hydraulic applications to innovative reactors

    Energy Technology Data Exchange (ETDEWEB)

    Bandini, G., E-mail: giacomino.bandini@enea.it [Italian National Agency for New Technologies, Energy and Sustainable Economic Development (ENEA) (Italy); Polidori, M. [Italian National Agency for New Technologies, Energy and Sustainable Economic Development (ENEA) (Italy); Gerschenfeld, A.; Pialla, D.; Li, S. [Commissariat à l’Energie Atomique (CEA) (France); Ma, W.M.; Kudinov, P.; Jeltsov, M.; Kööp, K. [Royal Institute of Technology (KTH) (Sweden); Huber, K.; Cheng, X.; Bruzzese, C.; Class, A.G.; Prill, D.P. [Karlsruhe Institute of Technology (KIT) (Germany); Papukchiev, A. [Gesellschaft für Anlagen- und Reaktorsicherheit (GRS) (Germany); Geffray, C.; Macian-Juan, R. [Technische Universität München (TUM) (Germany); Maas, L. [Institut de Radioprotection et de Sûreté Nucléaire (IRSN) (France)

    2015-01-15

    Highlights: • The assessment of RELAP5, TRACE and CATHARE system codes on integral experiments is presented. • Code benchmark of CATHARE, DYN2B, and ATHLET on PHENIX natural circulation experiment. • Grid-free pool modelling based on proper orthogonal decomposition for system codes is explained. • The code coupling methodologies are explained. • The coupling of several CFD/system codes is tested against integral experiments. - Abstract: The THINS project of the 7th Framework EU Program on nuclear fission safety is devoted to the investigation of crosscutting thermal–hydraulic issues for innovative nuclear systems. A significant effort in the project has been dedicated to the qualification and validation of system codes currently employed in thermal–hydraulic transient analysis for nuclear reactors. This assessment is based either on already available experimental data, or on the data provided by test campaigns carried out in the frame of THINS project activities. Data provided by TALL and CIRCE facilities were used in the assessment of system codes for HLM reactors, while the PHENIX ultimate natural circulation test was used as reference for a benchmark exercise among system codes for sodium-cooled reactor applications. In addition, a promising grid-free pool model based on proper orthogonal decomposition is proposed to overcome the limits shown by the thermal–hydraulic system codes in the simulation of pool-type systems. Furthermore, multi-scale system-CFD solutions have been developed and validated for innovative nuclear system applications. For this purpose, data from the PHENIX experiments have been used, and data are provided by the tests conducted with new configuration of the TALL-3D facility, which accommodates a 3D test section within the primary circuit. The TALL-3D measurements are currently used for the validation of the coupling between system and CFD codes.

  12. Laser of optical fiber composed by two coupled cavities: application as optical fiber sensor

    International Nuclear Information System (INIS)

    Vazquez S, R.A.; Kuzin, E.A.; Ibarra E, B.; May A, M.; Shlyagin, M.; Marquez B, I.

    2004-01-01

    We show an optical fiber laser sensor which consist of two cavities coupled and three fiber Bragg gratings. We used one Bragg grating (called reference) and two Bragg gratings (called sensors), which have the lower reflection wavelength. The reference grating with the two sensors grating make two cavities: first one is the internal cavity which has 4230 m of length and the another one is the external cavity which has 4277 m of length. Measuring the laser beating frequency for a resonance cavity and moving the frequency peaks when the another cavity is put in resonance, we prove that the arrangement can be used as a two points sensor for determining the difference of temperature or stress between these two points. (Author)

  13. Transport equations, Level Set and Eulerian mechanics. Application to fluid-structure coupling

    International Nuclear Information System (INIS)

    Maitre, E.

    2008-11-01

    My works were devoted to numerical analysis of non-linear elliptic-parabolic equations, to neutron transport equation and to the simulation of fabrics draping. More recently I developed an Eulerian method based on a level set formulation of the immersed boundary method to deal with fluid-structure coupling problems arising in bio-mechanics. Some of the more efficient algorithms to solve the neutron transport equation make use of the splitting of the transport operator taking into account its characteristics. In the present work we introduced a new algorithm based on this splitting and an adaptation of minimal residual methods to infinite dimensional case. We present the case where the velocity space is of dimension 1 (slab geometry) and 2 (plane geometry) because the splitting is simpler in the former

  14. Application of dimensional analysis to the problem of solar wind-magnetosphere energy coupling

    International Nuclear Information System (INIS)

    Bargatze, L.F.; McPherron, R.L.; Baker, D.N.; Hones, E.W. Jr.

    1984-01-01

    The constraints imposed by dimensional analyses are used to find how the solar wind-magnetosphere energy transfer rate depends upon interplanetary parameters. The analyses reported here assume that only magnetohydrodynamic processes are important in controlling the rate of energy transfer. The study utilizes ISEE-3 solar wind observations, the AE index, and U/sub T/ from three 10-day intervals during the IMS: Simple linear regression and histogram techniques are used to find the value of the MHD coupling exponent, α, which is consistent with observations of magnetospheric response. Once α is estimated, the form of the solar wind energy transfer rate is obtained by substitution into an equation of the interplanetary variables whose exponents depend upon α. 7 references, 6 figures, 1 table

  15. Synchronization of random bit generators based on coupled chaotic lasers and application to cryptography.

    Science.gov (United States)

    Kanter, Ido; Butkovski, Maria; Peleg, Yitzhak; Zigzag, Meital; Aviad, Yaara; Reidler, Igor; Rosenbluh, Michael; Kinzel, Wolfgang

    2010-08-16

    Random bit generators (RBGs) constitute an important tool in cryptography, stochastic simulations and secure communications. The later in particular has some difficult requirements: high generation rate of unpredictable bit strings and secure key-exchange protocols over public channels. Deterministic algorithms generate pseudo-random number sequences at high rates, however, their unpredictability is limited by the very nature of their deterministic origin. Recently, physical RBGs based on chaotic semiconductor lasers were shown to exceed Gbit/s rates. Whether secure synchronization of two high rate physical RBGs is possible remains an open question. Here we propose a method, whereby two fast RBGs based on mutually coupled chaotic lasers, are synchronized. Using information theoretic analysis we demonstrate security against a powerful computational eavesdropper, capable of noiseless amplification, where all parameters are publicly known. The method is also extended to secure synchronization of a small network of three RBGs.

  16. High-power fiber-coupled 100W visible spectrum diode lasers for display applications

    Science.gov (United States)

    Unger, Andreas; Küster, Matthias; Köhler, Bernd; Biesenbach, Jens

    2013-02-01

    Diode lasers in the blue and red spectral range are the most promising light sources for upcoming high-brightness digital projectors in cinemas and large venue displays. They combine improved efficiency, longer lifetime and a greatly improved color space compared to traditional xenon light sources. In this paper we report on high-power visible diode laser sources to serve the demands of this emerging market. A unique electro-optical platform enables scalable fiber coupled sources at 638 nm with an output power of up to 100 W from a 400 μm NA0.22 fiber. For the blue diode laser we demonstrate scalable sources from 5 W to 100 W from a 400 μm NA0.22 fiber.

  17. Packaged silica microsphere-taper coupling system for robust thermal sensing application.

    Science.gov (United States)

    Yan, Ying-Zhan; Zou, Chang-Ling; Yan, Shu-Bin; Sun, Fang-Wen; Ji, Zhe; Liu, Jun; Zhang, Yu-Guang; Wang, Li; Xue, Chen-Yang; Zhang, Wen-Dong; Han, Zheng-Fu; Xiong, Ji-Jun

    2011-03-28

    We propose and realize a novel packaged microsphere-taper coupling structure (PMTCS) with a high quality factor (Q) up to 5×10(6) by using the low refractive index (RI) ultraviolet (UV) glue as the coating material. The optical loss of the PMTCS is analyzed experimentally and theoretically, which indicate that the Q is limited by the glue absorption and the radiation loss. Moreover, to verify the practicability of the PMTCS, thermal sensing experiments are carried out, showing the excellent convenience and anti-jamming ability of the PMTCS with a high temperature resolution of 1.1×10(-3) ◦C. The experiments also demonstrate that the PMTCS holds predominant advantages, such as the robustness, mobility, isolation, and the PMTCS can maintain the high Q for a long time. The above advantages make the PMTCS strikingly attractive and potential in the fiber-integrated sensors and laser.

  18. The application of inductively coupled plasma mass spectrometry to the study of environmental radioactivity

    International Nuclear Information System (INIS)

    Igarashi, Yasuhito; Shiraishi, Kunio; Takaku, Yuichi.

    1991-01-01

    This paper discusses how far inductively coupled plasma mass spectrometry (ICP-MS) is applied in the field of environmental radioactivity. An outline of the apparatus for ICP-MS is given. Interferences associated with ICP-MS are explained in terms of spectrum interference, blocking phenomenon for sampling cone and other elements, and matrix effects. Detection efficiency of ICP-MS is discussed in view of sample induction efficiency, ionization efficiency, sampling efficiency or ion permeability efficiency, and double-focus ICP-MS. Finally, some problems of ICP-MS in measuring long-lived radionuclides are presented, which may be associated with extremely small ratio of radionuclides, measurement accuracy of radionuclide ratio, and extremely small almounts of radionuclides. A great contribution of ICP-MS to the study of environmental radioactivity is stressed. (N.K.) 112 refs

  19. Inductively Coupled Plasma: Fundamental Particle Investigations with Laser Ablation and Applications in Magnetic Sector Mass Spectrometry

    International Nuclear Information System (INIS)

    Nathan Joe Saetveit

    2008-01-01

    Particle size effects and elemental fractionation in laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) are investigated with nanosecond and femtosecond laser ablation, differential mobility analysis, and magnetic sector ICP-MS. Laser pulse width was found to have a significant influence on the LA particle size distribution and the elemental composition of the aerosol and thus fractionation. Emission from individual particles from solution nebulization, glass, and a pressed powder pellet are observed with high speed digital photography. The presence of intact particles in an ICP is shown to be a likely source of fractionation. A technique for the online detection of stimulated elemental release from neural tissue using magnetic sector ICP-MS is described. Detection limits of 1 (micro)g L -1 or better were found for P, Mn, Fe, Cu, and Zn in a 60 (micro)L injection in a physiological saline matrix

  20. Regularized principal covariates regression and its application to finding coupled patterns in climate fields

    Science.gov (United States)

    Fischer, M. J.

    2014-02-01

    There are many different methods for investigating the coupling between two climate fields, which are all based on the multivariate regression model. Each different method of solving the multivariate model has its own attractive characteristics, but often the suitability of a particular method for a particular problem is not clear. Continuum regression methods search the solution space between the conventional methods and thus can find regression model subspaces that mix the attractive characteristics of the end-member subspaces. Principal covariates regression is a continuum regression method that is easily applied to climate fields and makes use of two end-members: principal components regression and redundancy analysis. In this study, principal covariates regression is extended to additionally span a third end-member (partial least squares or maximum covariance analysis). The new method, regularized principal covariates regression, has several attractive features including the following: it easily applies to problems in which the response field has missing values or is temporally sparse, it explores a wide range of model spaces, and it seeks a model subspace that will, for a set number of components, have a predictive skill that is the same or better than conventional regression methods. The new method is illustrated by applying it to the problem of predicting the southern Australian winter rainfall anomaly field using the regional atmospheric pressure anomaly field. Regularized principal covariates regression identifies four major coupled patterns in these two fields. The two leading patterns, which explain over half the variance in the rainfall field, are related to the subtropical ridge and features of the zonally asymmetric circulation.

  1. A high performance data parallel tensor contraction framework: Application to coupled electro-mechanics

    Science.gov (United States)

    Poya, Roman; Gil, Antonio J.; Ortigosa, Rogelio

    2017-07-01

    The paper presents aspects of implementation of a new high performance tensor contraction framework for the numerical analysis of coupled and multi-physics problems on streaming architectures. In addition to explicit SIMD instructions and smart expression templates, the framework introduces domain specific constructs for the tensor cross product and its associated algebra recently rediscovered by Bonet et al. (2015, 2016) in the context of solid mechanics. The two key ingredients of the presented expression template engine are as follows. First, the capability to mathematically transform complex chains of operations to simpler equivalent expressions, while potentially avoiding routes with higher levels of computational complexity and, second, to perform a compile time depth-first or breadth-first search to find the optimal contraction indices of a large tensor network in order to minimise the number of floating point operations. For optimisations of tensor contraction such as loop transformation, loop fusion and data locality optimisations, the framework relies heavily on compile time technologies rather than source-to-source translation or JIT techniques. Every aspect of the framework is examined through relevant performance benchmarks, including the impact of data parallelism on the performance of isomorphic and nonisomorphic tensor products, the FLOP and memory I/O optimality in the evaluation of tensor networks, the compilation cost and memory footprint of the framework and the performance of tensor cross product kernels. The framework is then applied to finite element analysis of coupled electro-mechanical problems to assess the speed-ups achieved in kernel-based numerical integration of complex electroelastic energy functionals. In this context, domain-aware expression templates combined with SIMD instructions are shown to provide a significant speed-up over the classical low-level style programming techniques.

  2. Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster Theory

    Czech Academy of Sciences Publication Activity Database

    Huntington, L. M.; Demel, Ondřej; Nooijen, M.

    2016-01-01

    Roč. 12, č. 1 (2016), s. 114-132 ISSN 1549-9618 R&D Projects: GA ČR GJ15-00058Y Institutional support: RVO:61388955 Keywords : MR-EOM * Benchmark applications * variations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.245, year: 2016

  3. Constrained Predictive Control and its application to a Coupled-tanks Apparatus

    DEFF Research Database (Denmark)

    Poulsen, Niels Kjølstad; Kouvaritakis, Basil; Cannon, Mark

    2001-01-01

    The focus of this paper is the development and application to experimental equipment of fast constrained predictive control algorithms. A review of QP based algorithm and an alternative using interpolation and LP is considered. Despite its undemanding computational nature, the latter algorithm...

  4. CNN-coupled Humanoid Panoramic Annular Lens (PAL)-Optical System for Military Applications (Feasibility Study)

    National Research Council Canada - National Science Library

    Greguss, Pal

    2002-01-01

    ...) and the CNN chip for a few military applications. A polar beam splitter will be placed immediately after the relay lens to obtain two image planes, one will be used by the existing 64X64 CNN-UM focal plane array processor chip...

  5. Coupling Cover Crops with Alternative Swine Manure Application Strategies: Manure-15N Tracer Studies

    Science.gov (United States)

    Integration of rye cover crops with alternative liquid swine (Sus scrofa L.) manure application strategies may enhance retention of manure N in corn (Zea mays L.) - soybean [Glycine max (L.) Merr] cropping systems. The objective of this study was to quantify uptake of manure derived-N by a rye (Seca...

  6. Application of S-CO{sub 2} Cycle for Small Modular Reactor coupled with Desalination System

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Won Woong; Bae, Seong Jun; Lee, Jeong Ik [KAIST, Daejeon (Korea, Republic of)

    2016-10-15

    The Korean small modular reactor, SMART (System-integrated Modular Advanced ReacTor, 100MWe), is designed to achieve enhanced safety and improved economics through reliable passive safety systems, a system simplification and component modularization. SMART can generate electricity and provide water by seawater desalination. However, due to the desalination aspect of SMART, the total amount of net electricity generation is decreased from 100MWe to 90MWe. The authors suggest in this presentation that the reduction of electricity generation can be replenished by applying S-CO{sub 2} power cycle technology. The S-CO{sub 2} Brayton cycle, which is recently receiving significant attention as the next generation power conversion system, has some benefits such as high cycle efficiency, simple configuration, compactness and so on. In this study, the cycle performance analysis of the S-CO{sub 2} cycles for SMART with desalination system is conducted. The simple recuperated S-CO{sub 2} cycle is revised for coupling with desalination system. The three revised layout are proposed for the cycle performance comparison. In this results of the 3rd revised layout, the cycle efficiency reached 37.8%, which is higher than the efficiency of current SMART with the conventional power conversion system 30%.

  7. Semiclassical spectral quantization: Application to two and four coupled molecular degrees of freedom

    International Nuclear Information System (INIS)

    De Leon, N.; Heller, E.J.

    1984-01-01

    Semiclassical quantization of the quasiperiodic vibrational motion of molecules is usually based on Einstein--Brillouin--Keller (EBK) conditions for the quantization of the classical actions. Explicit use of the EBK conditions for molecular systems of K degrees of freedom requires K quantization conditions. Therefore, explicit use of the EBK conditions becomes increasingly difficult if not impossible for polyatomic systems of three or more degrees of freedom. In this paper we propose a semiclassical quantization method which makes explicit use of phase coherence of the de Broglie wave associated with the trajectory rather than the EBK conditions. We show that taking advantage of phase coherence reduces the K quantization conditions to a single quantum condition: regardless of the number of degrees of freedom. For reasons that will become obvious we call this method ''spectral quantization.'' Polyatomic vibrational wave functions and energy eigenvalues are generated from quasiperiodic classical trajectories. The spectral method is applied to an ABA linear triatomic molecule with two degrees of freedom and to an anharmonic model of the molecule cyanoacetylene. The usefulness of the technique is demonstrated in this latter calculation since the cyanoacetylene model will have four coupled vibrational degrees of freedom

  8. The application of the inductively coupled plasma system to the simultaneous determination of precious metals

    International Nuclear Information System (INIS)

    Watson, A.E.; Russell, G.M.; Middleton, H.R.; Davenport, F.F.

    1983-01-01

    This report describes the development of a spectrochemical technique using excitation by an inducticely coupled plasma (ICP) source for the simultaneous determination of the precious metals (defined here as gold, silver, and all the platinum-group metals except osmium) in a wide variety of samples from a plant for the extraction and refining of platinum metal. The limits of detection for the analytes were determined in various acid and salt media and, under the conditions used, ranged from 20 to 100ng/l. The analytes were determined in the presence of a thousandfold excess of each of the other precious metals used as a matrix element. Some severe interferences were noted but were ascribed to spectral-line overlap or to contamination of the matrix material. Various dissolution techniques, based upon standard procedures applied in the precious-metals industry, were used, depending on the particular type of material treated. The spectrometer was calibrated by the use of solutions containing the analytes, sodium chloride, and acid, with scandium as the internal standard. The accuracy and precision of the technique, established by the analysis of many samples of each type, were found to be satisfactory when close attention was paid to detail in the preparation of the analytical solution. The relative standard deviation of the method ranges from 0,005 to 0,05, depending on the element being determined

  9. Fully Coupled Geomechanics and Discrete Flow Network Modeling of Hydraulic Fracturing for Geothermal Applications

    Energy Technology Data Exchange (ETDEWEB)

    Fu, P; Johnson, S M; Hao, Y; Carrigan, C R

    2011-01-18

    The primary objective of our current research is to develop a computational test bed for evaluating borehole techniques to enhance fluid flow and heat transfer in enhanced geothermal systems (EGS). Simulating processes resulting in hydraulic fracturing and/or the remobilization of existing fractures, especially the interaction between propagating fractures and existing fractures, represents a critical goal of our project. To this end, we are continuing to develop a hydraulic fracturing simulation capability within the Livermore Distinct Element Code (LDEC), a combined FEM/DEM analysis code with explicit solid-fluid mechanics coupling. LDEC simulations start from an initial fracture distribution which can be stochastically generated or upscaled from the statistics of an actual fracture distribution. During the hydraulic stimulation process, LDEC tracks the propagation of fractures and other modifications to the fracture system. The output is transferred to the Non-isothermal Unsaturated Flow and Transport (NUFT) code to capture heat transfer and flow at the reservoir scale. This approach is intended to offer flexibility in the types of analyses we can perform, including evaluating the effects of different system heterogeneities on the heat extraction rate as well as seismicity associated with geothermal operations. This paper details the basic methodology of our approach. Two numerical examples showing the capability and effectiveness of our simulator are also presented.

  10. Sensing of chlorpheniramine in pharmaceutical applications by sequential injector coupled with potentiometer

    Directory of Open Access Journals (Sweden)

    Tawfik A. Saleh

    2011-11-01

    Full Text Available This paper reports on development of a system consisting of a portable sequential injector coupled with potentiometric unit for sensing of chlorpheniramine (CPA, based on the reaction of CPA with potassium permanganate in acidic media. Various experimental conditions affecting the potential intensity were studied and incorporated into the procedure. Under the optimum conditions, linear relationship between the CPA concentration and peak area was obtained for the concentration range of 0.1–50 ppm. The method reflects good recovery with relative standard deviation (RSD<3%. The detection limit was 0.05 ppm. The developed method was successfully applied for determination of CPA in pure form and in pharmaceutical dosage forms. The results, obtained using the method, are in accord with the results of the British pharmacopoeia method. In addition to its accuracy and precision, the method has the advantages of being simple, inexpensive and rapid. Keywords: Sensing, Flow injection, Chlorpheniramine, Potentiometry

  11. Applications of Coupled Explicit–Implicit Solution of SWEs for Unsteady Flow in Yangtze River

    Directory of Open Access Journals (Sweden)

    Yufei Ding

    2017-02-01

    Full Text Available In engineering practice, the unsteady flows generated from the operation of hydropower station in the upstream region could significantly change the navigation system of waterways located in the middle-lower reaches of the river. In order to study the complex propagation, convergence and superposition characteristics of unsteady flows in a long channel with flow confluence, a numerical model based on the coupling of implicit and explicit solution algorithms of Shallow Water Equations (SWEs has been applied to two large rivers in the reach of Yangtze River, China, which covers the distance from Yibin to Chongqing located upstream side of the Three Gorges Dam. The accuracy of numerical model has been validated by both the steady and unsteady flows using the prototype hydrological data. It is found that the unsteady flows show much more complex water level and discharge behaviors than the steady ones. The studied unsteady flows arising from the water regulation of two upstream hydropower stations could influence the region as far as Zhutuo hydrologic station, which is close to the city of Chongqing. Meanwhile, the computed stage–discharge rating curves at all observation stations demonstrate multi-value loop patterns because of the presence of additional water surface gradient. The present numerical model proves to be robust for simulating complex flows in very long engineering rivers up to 400 km.

  12. Application of DSTATCOM coupled with FESS for Power Quality Enhancement and Fault Mitigation

    Directory of Open Access Journals (Sweden)

    Nada Mamdouh

    2017-03-01

    Full Text Available In power systems, the use of renewable energy, especially Wind power generation is steadily increasing around the world. However, this incorporation and the lack of controllability over the wind, and the type of generation used cause problems in the power quality and in the dynamics of the system. In this work, the use of a Distribution Static Synchronous Compensator (DSTATCOM coupled with a Flywheel Energy Storage System (FESS is proposed to mitigate problems introduced by the intermittency of wind power generation. A dynamic model of the DSTATCOM/FESS device is briefly presented and a multi-level control technique is proposed. The proposed control technique has one control mode for active power, and two control modes to choose between, for reactive power and voltage control. The above technique has been used here to enhance not only the steady state operation but also to mitigate sudden load changes. The control system under consideration, with the DSTATCOM/FESS, and its controls are analyzed also, under the conditions of different faults which may happen in the system.  Simulation tests of the device are analyzed when it is combined with wind generation in the electric system. The results demonstrate satisfactory performance of the proposed control techniques, as well as a high effectiveness of the control system to mitigate problems introduced by wind power generation.

  13. Application of S-CO_2 Cycle for Small Modular Reactor coupled with Desalination System

    International Nuclear Information System (INIS)

    Lee, Won Woong; Bae, Seong Jun; Lee, Jeong Ik

    2016-01-01

    The Korean small modular reactor, SMART (System-integrated Modular Advanced ReacTor, 100MWe), is designed to achieve enhanced safety and improved economics through reliable passive safety systems, a system simplification and component modularization. SMART can generate electricity and provide water by seawater desalination. However, due to the desalination aspect of SMART, the total amount of net electricity generation is decreased from 100MWe to 90MWe. The authors suggest in this presentation that the reduction of electricity generation can be replenished by applying S-CO_2 power cycle technology. The S-CO_2 Brayton cycle, which is recently receiving significant attention as the next generation power conversion system, has some benefits such as high cycle efficiency, simple configuration, compactness and so on. In this study, the cycle performance analysis of the S-CO_2 cycles for SMART with desalination system is conducted. The simple recuperated S-CO_2 cycle is revised for coupling with desalination system. The three revised layout are proposed for the cycle performance comparison. In this results of the 3rd revised layout, the cycle efficiency reached 37.8%, which is higher than the efficiency of current SMART with the conventional power conversion system 30%

  14. Application of Coupled-Wave Wentzel-Kramers-Brillouin Approximation to Ground Penetrating Radar

    OpenAIRE

    Igor Prokopovich; Alexei Popov; Lara Pajewski; Marian Marciniak

    2017-01-01

    This paper deals with bistatic subsurface probing of a horizontally layered dielectric half-space by means of ultra-wideband electromagnetic waves. In particular, the main objective of this work is to present a new method for the solution of the two-dimensional back-scattering problem arising when a pulsed electromagnetic signal impinges on a non-uniform dielectric half-space; this scenario is of interest for ground penetrating radar (GPR) applications. For the analytical description of the s...

  15. Application of a modified flux-coupling type superconducting fault current limiter to transient performance enhancement of micro-grid

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Lei, E-mail: stclchen1982@163.com [School of Electrical Engineering, Wuhan University, Wuhan 430072 (China); Zheng, Feng; Deng, Changhong; Li, Shichun; Li, Miao; Liu, Hui [School of Electrical Engineering, Wuhan University, Wuhan 430072 (China); Zhu, Lin [Department of Electrical Engineering and Computer Science, University of Tennessee, Knoxville 37996 (United States); Guo, Fang [Department of Substation, Guang Dong Electric Power Design Institute, Guangzhou 510663 (China)

    2015-11-15

    Highlights: • A modified flux-coupling type SFCL is suggested to enhance the transient performance of a micro-grid. • The SFCL’s main contribution is to improve the micro-grid’s fault ride-through capability. • The SFCL also can make the micro-grid carry out a smooth transition between its grid-connected and islanded modes. • The simulations show that the SFCL can availably strengthen the micro-grid’s voltage and frequency stability. - Abstract: Concerning the application and development of a micro-grid system which is designed to accommodate high penetration of intermittent renewable resources, one of the main issues is related to an increase in the fault-current level. It is crucial to ensure the micro-grid’s operational stability and service reliability when a fault occurs in the main network. In this paper, our research group suggests a modified flux-coupling type superconducting fault current limiter (SFCL) to enhance the transient performance of a typical micro-grid system. The SFCL is installed at the point of common coupling (PCC) between the main network and the micro-grid, and it is expected to actively improve the micro-grid’s fault ride-through capability. And for some specific faults, the micro-grid should disconnect from the main network, and the SFCL’s contribution is to make the micro-grid carry out a smooth transition between its grid-connected and islanded modes. Related theory derivation, technical discussion and simulation analysis are performed. From the demonstrated results, applying the SFCL can effectively limit the fault current, maintain the power balance, and enhance the voltage and frequency stability of the micro-grid.

  16. Application of a modified flux-coupling type superconducting fault current limiter to transient performance enhancement of micro-grid

    International Nuclear Information System (INIS)

    Chen, Lei; Zheng, Feng; Deng, Changhong; Li, Shichun; Li, Miao; Liu, Hui; Zhu, Lin; Guo, Fang

    2015-01-01

    Highlights: • A modified flux-coupling type SFCL is suggested to enhance the transient performance of a micro-grid. • The SFCL’s main contribution is to improve the micro-grid’s fault ride-through capability. • The SFCL also can make the micro-grid carry out a smooth transition between its grid-connected and islanded modes. • The simulations show that the SFCL can availably strengthen the micro-grid’s voltage and frequency stability. - Abstract: Concerning the application and development of a micro-grid system which is designed to accommodate high penetration of intermittent renewable resources, one of the main issues is related to an increase in the fault-current level. It is crucial to ensure the micro-grid’s operational stability and service reliability when a fault occurs in the main network. In this paper, our research group suggests a modified flux-coupling type superconducting fault current limiter (SFCL) to enhance the transient performance of a typical micro-grid system. The SFCL is installed at the point of common coupling (PCC) between the main network and the micro-grid, and it is expected to actively improve the micro-grid’s fault ride-through capability. And for some specific faults, the micro-grid should disconnect from the main network, and the SFCL’s contribution is to make the micro-grid carry out a smooth transition between its grid-connected and islanded modes. Related theory derivation, technical discussion and simulation analysis are performed. From the demonstrated results, applying the SFCL can effectively limit the fault current, maintain the power balance, and enhance the voltage and frequency stability of the micro-grid.

  17. Affinity selection-mass spectrometry and its emerging application to the high throughput screening of G protein-coupled receptors.

    Science.gov (United States)

    Whitehurst, Charles E; Annis, D Allen

    2008-07-01

    Advances in combinatorial chemistry and genomics have inspired the development of novel affinity selection-based screening techniques that rely on mass spectrometry to identify compounds that preferentially bind to a protein target. Of the many affinity selection-mass spectrometry techniques so far documented, only a few solution-based implementations that separate target-ligand complexes away from unbound ligands persist today as routine high throughput screening platforms. Because affinity selection-mass spectrometry techniques do not rely on radioactive or fluorescent reporters or enzyme activities, they can complement traditional biochemical and cell-based screening assays and enable scientists to screen targets that may not be easily amenable to other methods. In addition, by employing mass spectrometry for ligand detection, these techniques enable high throughput screening of massive library collections of pooled compound mixtures, vastly increasing the chemical space that a target can encounter during screening. Of all drug targets, G protein coupled receptors yield the highest percentage of therapeutically effective drugs. In this manuscript, we present the emerging application of affinity selection-mass spectrometry to the high throughput screening of G protein coupled receptors. We also review how affinity selection-mass spectrometry can be used as an analytical tool to guide receptor purification, and further used after screening to characterize target-ligand binding interactions, enabling the classification of orthosteric and allosteric binders.

  18. Design and Implementation of Dual-Band MIMO Antenna with Low Mutual Coupling Using EBG for Handheld Applications

    Directory of Open Access Journals (Sweden)

    Duong Thanh Tu

    2017-01-01

    Full Text Available A dual-band Multiple Input Multiple Output (MIMO antenna system with enhanced isolation for LTE and WLAN applications is proposed. Using a double-rectangular Defected Ground Structure (DGS, the MIMO antenna gets two resonant frequencies of 2.6 GHz and 5.7 GHz with bandwidth of 5.7% and 4.3% respectively. To reduce much more mutual coupling between dual-band MIMO antenna ports, a novel double-side Electromagnetic Band Gap (EBG structure with equivalent circuit model is proposed. Size of t gain of the antenna is getting better, especially at the low band. he EBG unit cell is 8.6x8.6 mm2 that is built on FR4 substrate with height of 1.6 mm, so it is achieved more compact size than conventional EBG structures. With 1x7 EBG structures, the mutual coupling gets -40dB in the low frequency band and -30 dB in the high one with narrow distance of 0.11 from feeding point to feeding point. Furthermore, radiation efficiency as well as gain of the antenna is getting better, especially at the low band.

  19. Status of the TOUGH-FLAC simulator and recent applications related to coupled fluid flow and crustal deformations

    Energy Technology Data Exchange (ETDEWEB)

    Rutqvist, J.

    2010-06-01

    This paper presents recent advancement in and applications of TOUGH-FLAC, a simulator for multiphase fluid flow and geomechanics. The TOUGH-FLAC simulator links the TOUGH family multiphase fluid and heat transport codes with the commercial FLAC{sup 3D} geomechanical simulator. The most significant new TOUGH-FLAC development in the past few years is a revised architecture, enabling a more rigorous and tight coupling procedure with improved computational efficiency. The applications presented in this paper are related to modeling of crustal deformations caused by deep underground fluid movements and pressure changes as a result of both industrial activities (the In Salah CO{sub 2} Storage Project and the Geysers Geothermal Field) and natural events (the 1960s Matsushiro Earthquake Swarm). Finally, the paper provides some perspectives on the future of TOUGH-FLAC in light of its applicability to practical problems and the need for high-performance computing capabilities for field-scale problems, such as industrial-scale CO{sub 2} storage and enhanced geothermal systems. It is concluded that despite some limitations to fully adapting a commercial code such as FLAC{sup 3D} for some specialized research and computational needs, TOUGH-FLAC is likely to remain a pragmatic simulation approach, with an increasing number of users in both academia and industry.

  20. Neutronics - thermal-hydraulics coupling: application to the helium-cooled fast reactor

    International Nuclear Information System (INIS)

    Vaiana, F.

    2009-11-01

    This thesis focuses on the study of interactions between neutron-kinetics and thermal-hydraulics. Neutron-kinetics allow to calculate the power in a nuclear reactor and the temperature evolution of materials where this power is deposited is known thanks to thermal-hydraulics. Moreover, when the temperatures evolve, the densities and cross sections change. These two disciplines are thus coupled. The first part of this work corresponds to the study and development of a method which allows to simulate transients in nuclear reactors and especially with a Monte-Carlo code for neutron-kinetics. An algorithm for the resolution of the neutron transport equation has been established and validated with a benchmark. In thermal-hydraulics, a porous media approach, based on another thesis, is considered. This gives the opportunity to solve the equations on the whole core without unconscionable computation time. Finally, a theoretical study has been performed on the statistical uncertainties which result from the use of a Monte-Carlo code and which spread from the reactivity to the power and from the power to the temperatures. The second part deals with the study of a misplaced control rod withdrawing in a GFR (helium-cooled fast reactor), a fourth generation reactor. Some models allowing to calculate neutron-kinetics and thermal-hydraulics in the core (which contains assemblies built up with fuel plates) were defined. In thermal-hydraulics, a model for the core based on the porous media approach and a fuel plate homogenization model have been set up. A similar homogenization model has been studied for neutron-kinetics. Finally, the control rod withdrawing transient where we can observe the power raising and the stabilisation by thermal feedback has been performed with the Monte-Carlo code Tripoli for neutron-kinetics and the code Trio-U for thermal-hydraulics. (author)

  1. Pre-pregnancy community-based intervention for couples in Malaysia: application of intervention mapping.

    Science.gov (United States)

    Norris, Shane A; Ho, Julius Cheah Chee; Rashed, Aswir Abd; Vinding, Vibeke; Skau, Jutta K H; Biesma, Regien; Aagaard-Hansen, Jens; Hanson, Mark; Matzen, Priya

    2016-11-17

    Malaysia is experiencing a nutrition transition with burgeoning obesity, particularly in women, and a growing prevalence of non-communicable disease. These health burdens have severe implications not only for adult health but also across generations. Pre-conception health promotion could address the intergenerational risk of metabolic disease. This paper describes the development of the "Jom Mama" intervention using Intervention Mapping (IM). The Jom Mama intervention aims to improve the health of young adult couples in Malaysia prior to conception. IM comprises of five steps prior to the last one, which involves the evaluation of the intervention. We used the five steps to develop the Jom Mama intervention. Both the process and evidence is documented providing the rationale to the selection of the key objectives of the intervention: (i) increasing healthy dietary practice; (ii) increasing physical activity levels, (iii) reducing sedentary activity; and (iv) improving social support to offset stressful lifestyles. From the IM process, Jom Mama will be health-system centred approach that uniquely combines both community health promoters and an electronic-health platform to deliver the complex intervention. IM is an iterative process that systematically gathers "best" evidence, selects appropriate theories of behaviour change, and facilitates formative research so as to develop a complex intervention. Though the IM process is time consuming, complex, and costly, it has enriched the Jom Mama intervention with a number of notable advantages: (i) intervention fashioned on formative work with stakeholders and in the target group; (ii) intervention combines research evidence with theory; (iii) intervention acknowledges multiple dynamics of influence; and (iv) intervention is embedded within health service priorities in Malaysia for greater scale-up possibility.

  2. Geometry-coupled reactive fluid transport at the fracture scale -Application to CO 2 geologic storage

    KAUST Repository

    Kim, Seunghee

    2015-08-19

    Water acidification follows CO2 injection and leads to reactive fluid transport through pores and rock fractures, with potential implications to reservoirs and wells in CO2 geologic storage and enhanced oil recovery. Kinetic rate laws for dissolution reactions in calcite and anorthite are combined with Navier-Stokes law and advection-diffusion transport to perform geometry-coupled numerical simulations in order to study the evolution of chemical reactions, species concentration and fracture morphology. Results are summarized as a function of two dimensionless parameters: the Damköhler number Da which is the ratio between advection and reaction times, and the transverse Peclet number Pe defined as the ratio between the time for diffusion across the fracture and the time for advection along the fracture. Reactant species are readily consumed near the inlet in a carbonate reservoir when the flow velocity is low (low transverse Peclet number and Da>10-1). At high flow velocities, diffusion fails to homogenize the concentration field across the fracture (high transverse Peclet number Pe>10-1). When the reaction rate is low as in anorthite reservoirs (Da<10-1) reactant species are more readily transported towards the outlet. At a given Peclet number, a lower Damköhler number causes the flow channel to experience a more uniform aperture enlargement along the length of the fracture. When the length-to-aperture ratio is sufficiently large, say l/d>30, the system response resembles the solution for 1-D reactive fluid transport. A decreased length-to-aperture ratio slows the diffusive transport of reactant species to the mineral fracture surface, and analyses of fracture networks must take into consideration both the length and slenderness of individual fractures in addition to Pe and Da numbers.

  3. Application of new developments in coupled seismic analysis of piping systems

    International Nuclear Information System (INIS)

    Gupta, A.; Gupta, A.K.

    1995-01-01

    The current practice of calculating the seismic response is to perform the analysis of the primary structure (buildings) and the secondary systems (piping) separately. Earthquake input to the primary system in terms of a design response spectrum. An acceleration time history compatible with the design response spectrum is developed (a non-unique process) and primary system is analyzed to obtain the acceleration histories at the desired floors. Floor time histories are used for generating the corresponding instructure response spectrum (IRIS). The instructure response spectra are used as input at the supports of secondary systems. Further, in case of multiple supports, an envelope spectrum (introducing conservatism) is obtained from the individual support IRS. The effect of relative support motion is incorporated by a worst-case separate static analysis (adding to the conservatism). In the above method, mass interaction between the secondary and primary system is ignored, which may have significant effect at resonant frequencies (further adding to the conservatism). The calculated response may be an order of magnitude higher than they should be. Two computer programs, CREST and CREST-IRIS, were developed at Center for NUclear Power Plant Structures, Equipment and Piping. Any one of the two computer programs together with a piping analysis program can be used to perform an accurate coupled seismic analysis of piping systems. The two computer programs have been validated against the time history analysis for simple problems. In the present study, we have applied CREST to analyze two real-life piping systems. The piping analysis program used in this research is the commercial software PIPESTRESS, developed by DST Computer Services of Geneva, Switzerland. (author). 4 refs., 3 figs., 2 tabs

  4. Pre-pregnancy community-based intervention for couples in Malaysia: application of intervention mapping

    Directory of Open Access Journals (Sweden)

    Shane A. Norris

    2016-11-01

    Full Text Available Abstract Background Malaysia is experiencing a nutrition transition with burgeoning obesity, particularly in women, and a growing prevalence of non-communicable disease. These health burdens have severe implications not only for adult health but also across generations. Pre-conception health promotion could address the intergenerational risk of metabolic disease. This paper describes the development of the “Jom Mama” intervention using Intervention Mapping (IM. The Jom Mama intervention aims to improve the health of young adult couples in Malaysia prior to conception. Methods IM comprises of five steps prior to the last one, which involves the evaluation of the intervention. We used the five steps to develop the Jom Mama intervention. Results Both the process and evidence is documented providing the rationale to the selection of the key objectives of the intervention: (i increasing healthy dietary practice; (ii increasing physical activity levels, (iii reducing sedentary activity; and (iv improving social support to offset stressful lifestyles. From the IM process, Jom Mama will be health-system centred approach that uniquely combines both community health promoters and an electronic-health platform to deliver the complex intervention. Conclusion IM is an iterative process that systematically gathers “best” evidence, selects appropriate theories of behaviour change, and facilitates formative research so as to develop a complex intervention. Though the IM process is time consuming, complex, and costly, it has enriched the Jom Mama intervention with a number of notable advantages: (i intervention fashioned on formative work with stakeholders and in the target group; (ii intervention combines research evidence with theory; (iii intervention acknowledges multiple dynamics of influence; and (iv intervention is embedded within health service priorities in Malaysia for greater scale-up possibility.

  5. Application of energy management coupled with fuel switching on a hydrotreater unit

    Directory of Open Access Journals (Sweden)

    Eman M. Gabr

    2016-03-01

    Full Text Available In the last decades, saving energy and protecting environment became the most important topics for search and survey. The energy engineer for any chemical process is obliged by restrictions of “Kyoto Protocol” for limitation of carbon dioxide emissions from fuel combustion, so he does his best to reduce utility consumption and thus reduce gas emission. Proper designing of the heat exchanger network (HEN for any process is an effective and successful method to minimize utility consumption and therefore minimize gas emission (mainly carbon gases (CO2 and sulfur gases (SOx. Fuel switching coupled with energy targeting achieved the least gas emission. In this work we choose a hydrotreater unit of a petroleum refinery as a case study due to its effective role and its obvious consumption of utility. We applied the methodology of energy targeting through HEN design (using pinch technology at several values of mean temperature difference (ΔTmin; where the maximum percentage of energy saving was 37% for hot and cold utility which directly leads to percentage reduction of gas emission by 29% for CO2 and 17% for SOx. Switching fuel oil to other types of fuel realized gas emission reduction percentage where the maximum reduction established was through natural gas fuel type and reached 54% for CO2 and 90% for SOx. Comparison between existing design and the optimum ΔTmin HEN led to few modifications with the least added capital cost for the hydrotreater existing design to revamp it through four scenarios; the first one depended on fuel switching to natural gas while the second one switched fuel to diesel oil, in the third scenario we applied heat integration only and the fourth one used both of heat integration and fuel switching in a parallel way.

  6. Geometry-coupled reactive fluid transport at the fracture scale -Application to CO 2 geologic storage

    KAUST Repository

    Kim, Seunghee; Santamarina, Carlos

    2015-01-01

    Water acidification follows CO2 injection and leads to reactive fluid transport through pores and rock fractures, with potential implications to reservoirs and wells in CO2 geologic storage and enhanced oil recovery. Kinetic rate laws for dissolution reactions in calcite and anorthite are combined with Navier-Stokes law and advection-diffusion transport to perform geometry-coupled numerical simulations in order to study the evolution of chemical reactions, species concentration and fracture morphology. Results are summarized as a function of two dimensionless parameters: the Damköhler number Da which is the ratio between advection and reaction times, and the transverse Peclet number Pe defined as the ratio between the time for diffusion across the fracture and the time for advection along the fracture. Reactant species are readily consumed near the inlet in a carbonate reservoir when the flow velocity is low (low transverse Peclet number and Da>10-1). At high flow velocities, diffusion fails to homogenize the concentration field across the fracture (high transverse Peclet number Pe>10-1). When the reaction rate is low as in anorthite reservoirs (Da<10-1) reactant species are more readily transported towards the outlet. At a given Peclet number, a lower Damköhler number causes the flow channel to experience a more uniform aperture enlargement along the length of the fracture. When the length-to-aperture ratio is sufficiently large, say l/d>30, the system response resembles the solution for 1-D reactive fluid transport. A decreased length-to-aperture ratio slows the diffusive transport of reactant species to the mineral fracture surface, and analyses of fracture networks must take into consideration both the length and slenderness of individual fractures in addition to Pe and Da numbers.

  7. A microscopic approach based on particle-vibration coupling: application to charge-exchange transitions and multiplets in odd nuclei

    Directory of Open Access Journals (Sweden)

    Colò Gianluca

    2016-01-01

    Full Text Available In this contribution, we shall describe a formalism that goes beyond the simple time-dependent mean field and is based on particle-vibration coupling (PVC. Such a formalism has been developed with the idea of being self-consistent. It makes use of Skyrme effective forces, and has been used for several applications. We will focus on charge-exchange transitions, namely we will show that our model describes well both the Gamow-Teller giant resonance width, and the low-lying transitions associated with β-decay. In this latter case, including PVC produces a significant improvement of the half-lives obtained at mean-field level, and leads to a good agreement with experimental data. We will end by discussing particle-phonon multiplets in odd nuclei.

  8. Applicability of Related Data, Algorithms, and Models to the Simulation of Ground-Coupled Residential Hot Water Piping in California

    International Nuclear Information System (INIS)

    Warner, J.L.; Lutz, J.D.

    2006-01-01

    Residential water heating is an important consideration in California?s building energy efficiency standard. Explicit treatment of ground-coupled hot water piping is one of several planned improvements to the standard. The properties of water, piping, insulation, backfill materials, concrete slabs, and soil, their interactions, and their variations with temperature and over time are important considerations in the required supporting analysis. Heat transfer algorithms and models devised for generalized, hot water distribution system, ground-source heat pump and ground heat exchanger, nuclear waste repository, buried oil pipeline, and underground electricity transmission cable applications can be adapted to the simulation of under-slab water piping. A numerical model that permits detailed examination of and broad variations in many inputs while employing a technique to conserve computer run time is recommended.

  9. On the applicability of the layered sine-Gordon model for Josephson-coupled high-Tc layered superconductors

    International Nuclear Information System (INIS)

    Nandori, I; Jentschura, U D; Nagy, S; Sailer, K; Vad, K; Meszaros, S

    2007-01-01

    We find a mapping of the layered sine-Gordon model to an equivalent gas of topological excitations and determine the long-range interaction potentials of the topological defects. This enables us to make a detailed comparison to the so-called layered vortex gas, which can be obtained from the layered Ginzburg-Landau model. The layered sine-Gordon model has been proposed in the literature as a candidate field-theoretical model for Josephson-coupled high-T c superconductors, and the implications of our analysis for the applicability of the layered sine-Gordon model to high-T c superconductors are discussed. We are led to the conjecture that the layered sine-Gordon and the layered vortex gas models belong to different universality classes. The determination of the critical temperature of the layered sine-Gordon model is based on a renormalization-group analysis

  10. Application of isotope dilution for the determination of thorium in biological samples by inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    Igarashi, Yasuhito; Shiraishi, Kunio; Takaku, Yuichi; Masuda, Kimihiko; Seki, Riki; Yamamoto, Masayoshi.

    1992-01-01

    The applicability of isotope dilution-inductively coupled plasma mass spectrometry (ID-ICP-MS) was examined for Th in biological samples. A naturally occurring isotope of Th(Th-230) was used as the spiking isotope. The concentration of Th-230 in the final sample solution was about 50 - 60 pg/ml; an isotope ratio of 232/230 could be measured with a relative standard deviation of less than 2%. The error magnification depended on the amount of Th-232 being concomitant with the Th-230. Though it was shown that one ng of Th-232 could be determined with reasonable precision with a tracer of the present purity, more care should be taken to reduce any source of systematic error. (author)

  11. The application of a coupled artificial neural network and fault tree analysis model to predict coal and gas outbursts

    Energy Technology Data Exchange (ETDEWEB)

    Ruilin, Zhang [School of Safety Science and Engineering, Henan Polytechnic University, Jiaozuo, Henan Province, 454003, PR (China); Lowndes, Ian S. [Process and Environmental Research Division, Faculty of Engineering, University of Nottingham, University Park, Nottingham, NG7 2RD (United Kingdom)

    2010-11-01

    This paper proposes the use of a coupled fault tree analysis (FTA) and artificial neural network (ANN) model to improve the prediction of the potential risk of coal and gas outburst events during the underground mining of thick and deep Chinese coal seams. The model developed has been used to investigate the gas emission characteristics and the geological conditions that exist within the Huaibei coal mining region, Anhui province, China. The coal seams in this region exhibit a high incidence of coal and gas outbursts. An analysis of the results obtained from an initial application of an FTA model, identified eight dominant model parameters related to the gas content or geological conditions of the coal seams, which characterize the potential risk of in situ coal and gas outbursts. The eight dominant model parameters identified by the FTA method were subsequently used as input variables to an ANN model. The results produced by the ANN model were used to develop a qualitative risk index to characterize the potential risk level of occurrence of coal and gas outburst events. Four different potential risk alarm levels were defined: SAFE, POTENTIAL, HIGH and STRONG. Solutions to the prediction model were obtained using a combination of quantitative and qualitative data including the gas content or gas pressure and the geological and geotechnical conditions of coal seams. The application of this combined solution method identified more explicit and accurate model relationships between the in situ geological conditions and the potential risk of coal and gas outbursts. An analysis of the model solutions concluded that the coupled FTA and ANN model may offer a reliable alternative method to forecast the potential risk of coal and gas outbursts. (author)

  12. The PERC trademark process: Existing and potential applications for induction coupled plasma technology in hazardous and radioactive waste treatment

    International Nuclear Information System (INIS)

    Blutke, A.S.; Vavruska, J.S.; Serino, J.F.

    1996-01-01

    Plasma Technology, Inc. (PTI), a Santa Fe, New Mexico corporation has developed the Plasma Energy Recycle and Conversion (PERC)trademark treatment process as a safe and environmentally clean alternative to conventional thermal destruction technologies. The PERC trademark treatment process uses as its heat source an advanced Induction Coupled Plasma (ICP) torch connected to a reaction chamber system with an additional emission control system. For example, organic-based gas, liquid, slurry, and/or solid waste streams can be converted into usable or even salable products while residual emissions are reduced to an absolute minimum. In applications for treatment of hazardous and radioactive waste streams, the PERC system could be used for destruction of the hazardous organic constituents and/or significant waste volume reduction while capturing the radioactive fraction in a non-leachable form. Like Direct Current (DC) and Alternating Current (AC) arc plasma systems, ICP torches offer sufficient energy to decompose, melt and/or vitrify any waste stream. The decision for an arc plasma or an IC plasma system has to be made on a case by case evaluation and is highly dependent on the specific waste stream's form and composition. Induction coupled plasma technology offers one simple, but significant difference compared to DC or AC arc plasma systems: the ICP torch is electrodeless. To date, enormous research effort has been spent to improve the lifetime of electrodes and the effectiveness of related cooling systems. Arc plasma systems are established in research laboratories worldwide and are approaching a broad use in commercial applications. ICP technology has been improved relatively recently, but nowadays offers complete new and beneficial approaches in the field of waste conversion and treatment

  13. Analysis of bifurcation behavior of a piecewise linear vibrator with electromagnetic coupling for energy harvesting applications

    KAUST Repository

    El Aroudi, Abdelali

    2014-05-01

    Recently, nonlinearities have been shown to play an important role in increasing the extracted energy of vibration-based energy harvesting systems. In this paper, we study the dynamical behavior of a piecewise linear (PWL) spring-mass-damper system for vibration-based energy harvesting applications. First, we present a continuous time single degree of freedom PWL dynamical model of the system. Different configurations of the PWL model and their corresponding state-space regions are derived. Then, from this PWL model, extensive numerical simulations are carried out by computing time-domain waveforms, state-space trajectories and frequency responses under a deterministic harmonic excitation for different sets of system parameter values. Stability analysis is performed using Floquet theory combined with Filippov method, Poincaré map modeling and finite difference method (FDM). The Floquet multipliers are calculated using these three approaches and a good concordance is obtained among them. The performance of the system in terms of the harvested energy is studied by considering both purely harmonic excitation and a noisy vibrational source. A frequency-domain analysis shows that the harvested energy could be larger at low frequencies as compared to an equivalent linear system, in particular, for relatively low excitation intensities. This could be an advantage for potential use of this system in low frequency ambient vibrational-based energy harvesting applications. © 2014 World Scientific Publishing Company.

  14. New method for model coupling using Stampi. Application to the coupling of atmosphere model (MM5) and land-surface model (SOLVEG)

    International Nuclear Information System (INIS)

    Nagai, Haruyasu

    2003-12-01

    A new method to couple atmosphere and land-surface models using the message passing interface (MPI) was proposed to develop an atmosphere-land model for studies on heat, water, and material exchanges around the land surface. A non-hydrostatic atmospheric dynamic model of Pennsylvania State University and National Center for Atmospheric Research (PUS/NCAR-MM5) and a detailed land surface model (SOLVEG) including the surface-layer atmosphere, soil, and vegetation developed at Japan Atomic Energy Research Institute (JAERI) are used as the atmosphere and land-surface models, respectively. Concerning the MPI, a message passing library named Stampi developed at JAERI that can be used between different parallel computers is used. The models are coupled by exchanging calculation results by using MPI on their independent parallel calculations. The modifications for this model coupling are easy, simply adding some modules for data exchanges to each model code without changing each model's original structure. Moreover, this coupling method is flexible and allows the use of independent time step and grid interval for each model. (author)

  15. Women and Couples in Isolated Extreme Environments: Applications for Long-Duration Missions

    Science.gov (United States)

    Leon, G. R.; Sandal, G. M.

    four women from Greenland, Denmark, UK and Russia who traversed the Greenland ice by ski. The participants did not know each other prior to the expedition. Three were classified as "the right stuff' based on PCI findings. Diary and post-expedition reports indicated that incidents of interpersonal tension were often related to fatigue, homesickness, pain or cold. The participants also indicated that respect and tolerance for differences between them, as weIl as mutual emotional support were crucial factors for the successful completion of the expedition. Group 3 consisted of 3 married couples and the 2 1/2 year old child of the leader and his wife. Five of the crew sailed a small boat from Norway to the Canadian High Arctic; the leader's wife and child joined the team in Greenland. Over a 9 month period, the icelocked boat was ilie center of habitation, scientific, and other activities. Three of the group carried out a 6 week exploratory trek at the end of the winter-over. Participants completed the MPQ prior to the expedition, a WRF over the entire Arctic period, and a semi-structured personality interview at the close of the interval during which the entire group was together. AlI participants scored relatively highest on the Absorption scale, manifested in the salutory experience of enjoying and becoming engrossed in the beauty of the environment. WRF and interview findings indicated that team members consistently reported that the emotional support of and ability to confide in their partner were extremely important in alleviating interpersonal tensions with other team members, and contributed to the overall effective functioning of the group. Reported level of emotional response to stress and coping patterns used while in the stationary habitat were consistent with WRF responses during the later exploratory trek. The woman team member on the trek reported more discomfort regarding personal hygiene issues and fear of injury .In alI groups, the salience of the

  16. Coupling surfactants with permanganate for DNAPL removal : coinjection or sequential application as delivery methods

    Energy Technology Data Exchange (ETDEWEB)

    Dugan, P.J. [Carus Corp., Peru, IL (United States); Siegrist, R.L. [Colorado School of Mines, Golden, CO (United States); Crimi, M.L. [Clarkson Univ., Potsdam, NY (United States)

    2010-07-01

    This PowerPoint presentation described a study conducted to test the effectiveness of surfactant-enhanced permanganate for the remediation of dense nonaqueous phase liquids (DNAPL). When DNAPL enters the environment, it can pollute millions of gallons of ground water and create huge dissolved plumes that act as long-term sources of contamination. Surfactants were used to enhance the solubilization and mobilization of DNAPL during the remediation process. In situ chemical oxidation (ISCO) was then used to deliver oxidants into the sub-surface to destroy organic contaminants in the soil and ground water. Experimental 2-D flow-through cell studies of 72 surfactants were conducted with the permanganate to evaluate delivery methods and determine compatible co-solvents for the surfactant process. Delivery methods included co-injection and sequential application. Four compatible surfactants were found to be compatible with the permanganate. A 90 percent DNAPL remediation rate was achieved using relatively low surfactant and oxidant concentrations. tabs., figs.

  17. Nanocellulose-based Translucent Diffuser for Optoelectronic Device Applications with Dramatic Improvement of Light Coupling.

    Science.gov (United States)

    Wu, Wei; Tassi, Nancy G; Zhu, Hongli; Fang, Zhiqiang; Hu, Liangbing

    2015-12-09

    Nanocellulose is a biogenerated and biorenewable organic material. Using a process based on 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO)/NaClO/NaBr system, a highly translucent and light-diffusive film consisting of many layers of nanocellulose fibers and wood pulp microfibers was made. The film demonstrates a combination of large optical transmittance of ∼90% and tunable diffuse transmission of up to ∼78% across the visible and near-infrared spectra. The detailed characterizations of the film indicate the combination of high optical transmittance and haze is due to the film's large packing density and microstructured surface. The superior optical properties make the film a translucent light diffuser and applicable for improving the efficiencies of optoelectronic devices such as thin-film silicon solar cells and organic light-emitting devices.

  18. Status on Technology Development of Optic Fiber-Coupled Laser Ignition System for Rocket Engine Applications

    Science.gov (United States)

    Trinh, Huu P.; Early, Jim; Osborne, Robin; Thomas, Matthew; Bossard, John

    2003-01-01

    To pursue technology developments for future launch vehicles, NASA/Marshall Space Flight Center (MSFC) is examining vortex chamber concepts for liquid rocket engine applications. Past studies indicated that the vortex chamber schemes potentially have a number of advantages over conventional chamber methods. Due to the nature of the vortex flow, relatively cooler propellant streams tend to flow along the chamber wall. Hence, the thruster chamber can be operated without the need of any cooling techniques. This vortex flow also creates strong turbulence, which promotes the propellant mixing process. Consequently, the subject chamber concept: not only offer system simplicity, but also enhance the combustion performance. Test results have shown that chamber performance is markedly high even at a low chamber length-to-diameter ratio. This incentive can be translated to a convenience in the thrust chamber packaging.

  19. Joint reconstruction via coupled Bregman iterations with applications to PET-MR imaging

    Science.gov (United States)

    Rasch, Julian; Brinkmann, Eva-Maria; Burger, Martin

    2018-01-01

    Joint reconstruction has recently attracted a lot of attention, especially in the field of medical multi-modality imaging such as PET-MRI. Most of the developed methods rely on the comparison of image gradients, or more precisely their location, direction and magnitude, to make use of structural similarities between the images. A challenge and still an open issue for most of the methods is to handle images in entirely different scales, i.e. different magnitudes of gradients that cannot be dealt with by a global scaling of the data. We propose the use of generalized Bregman distances and infimal convolutions thereof with regard to the well-known total variation functional. The use of a total variation subgradient respectively the involved vector field rather than an image gradient naturally excludes the magnitudes of gradients, which in particular solves the scaling behavior. Additionally, the presented method features a weighting that allows to control the amount of interaction between channels. We give insights into the general behavior of the method, before we further tailor it to a particular application, namely PET-MRI joint reconstruction. To do so, we compute joint reconstruction results from blurry Poisson data for PET and undersampled Fourier data from MRI and show that we can gain a mutual benefit for both modalities. In particular, the results are superior to the respective separate reconstructions and other joint reconstruction methods.

  20. An efficient spectrofluorimetric method adopts doxazosin, terazosin and alfuzosin coupling with orthophthalaldehyde: Application in human plasma

    Science.gov (United States)

    Omar, Mahmoud A.; Mohamed, Abdel-Maaboud I.; Derayea, Sayed M.; Hammad, Mohamed A.; Mohamed, Abobakr A.

    2018-04-01

    A new, selective and sensitive spectrofluorimetric method was designed for the quantitation of doxazosin (DOX), terazosin (TER) and alfuzosin (ALF) in their dosage forms and human plasma. The method adopts efficient derivatization of the studied drugs with ortho-phthalaldehyde (OPA), in the presence of 2-mercaptoethanol in borate buffer (pH 9.7) to generate a highly fluorescent isoindole derivatives, which can strongly enhance the fluorescence intensities of the studied drugs, allowing their sensitive determination at 430 nm after excitation at 337 nm. The fluorescence-concentration plots were rectilinear over the ranges (10.0-400.0) ng/mL. Detection and quantification limits were found to be (0.52-3.88) and (1.59-11.76) ng/mL, respectively. The proposed method was validated according to ICH guidelines, and successfully applied for the determination of pharmaceutical preparations of the studied drugs. Moreover, the high sensitivity of the proposed method permits its successful application to the analysis of the studied drugs in spiked human plasma with % recovery (96.12 ± 1.34-100.66 ± 0.57, n = 3). A proposal for the reaction mechanism was presented.

  1. Application of hydrometeorological coupled European flood forecasting operational real time system in Yellow River Basin

    Directory of Open Access Journals (Sweden)

    Yi-qi Yan

    2009-12-01

    Full Text Available This study evaluated the application of the European flood forecasting operational real time system (EFFORTS to the Yellow River. An automatic data pre-processing program was developed to provide real-time hydrometeorological data. Various GIS layers were collected and developed to meet the demands of the distributed hydrological model in the EFFORTS. The model parameters were calibrated and validated based on more than ten years of historical hydrometeorological data from the study area. The San-Hua Basin (from the Sanmenxia Reservoir to the Huayuankou Hydrological Station, the most geographically important area of the Yellow River, was chosen as the study area. The analysis indicates that the EFFORTS enhances the work efficiency, extends the flood forecasting lead time, and attains an acceptable level of forecasting accuracy in the San-Hua Basin, with a mean deterministic coefficient at Huayuankou Station, the basin outlet, of 0.90 in calibration and 0.96 in validation. The analysis also shows that the simulation accuracy is better for the southern part than for the northern part of the San-Hua Basin. This implies that, along with the characteristics of the basin and the mechanisms of runoff generation of the hydrological model, the hydrometeorological data play an important role in simulation of hydrological behavior.

  2. Dedicated multichannel readout ASIC coupled with single crystal diamond for dosimeter application

    International Nuclear Information System (INIS)

    Fabbri, A; Notaristefani, F De; Galasso, M; Cencelli, V Orsolini; Falco, M D; Marinelli, M; Tortora, L; Verona, C; Rinati, G Verona

    2013-01-01

    This paper reports on the tests of a low-noise, multi-channel readout integrated circuit used as a readout electronic front-end for a diamond multi-pixel dosimeter. The system is developed for dose distribution measurement in radiotherapy applications. The first 10-channel prototype chip was designed and fabricated in a 0.18 um CMOS process. Every channel includes a charge integrator with a 10 pF capacitor and a double slope A/D converter. The diamond multi-pixel detector, based on CVD synthetic single crystal diamond Schottky diodes, is made by a 3 × 3 sensor matrix. The overall device has been tested under irradiation with 6 MeV radio therapeutic photon beams at the Policlinico ''Tor Vergata'' (PTV) hospital. Measurements show a 20 fA RMS leakage current from the front-end input stage and a negligible dark current from the diamond detector, a stable temporal response and a good linear behaviour as a function of both dose and dose rate. These characteristics were common to each tested channel.

  3. Environmental cost benefit analysis for a coal-fired power plant. An application of dispersion modelling coupled with GIS

    International Nuclear Information System (INIS)

    Oguz, M.; Balta, T.

    1998-01-01

    In this study, local air quality impacts of a proposed conventional coal-fired power at Icel region has been investigated using numerical dispersion modeling studies coupled with a GIS application. Within the impact area of the facility, Industrial Source Complex Short Term (ISCST2) dispersion model has been used to estimate ground level concentrations of air pollutants originating from the power plant. For the same impact area, GIS applications have been utilized to determine the agricultural yield distribution. For this purpose, relevant satellite images were digitized, classified and statistically analyzed. Based on the predicted ground level pollutant concentrations and sensitivity of the agricultural crops to those, agricultural yield loss was estimated for the impact area. The results have been quantified and validated in monetary terms for the purpose of performing an environmental cost benefit analysis. Comparison of the conventional cost benefit analysis with the environmental cost benefit analysis showed the significance of the external cost of the proposed facility, resulting from the environmental damages. 6 refs

  4. Center manifolds, normal forms and bifurcations of vector fields with application to coupling between periodic and steady motions

    Science.gov (United States)

    Holmes, Philip J.

    1981-06-01

    We study the instabilities known to aeronautical engineers as flutter and divergence. Mathematically, these states correspond to bifurcations to limit cycles and multiple equilibrium points in a differential equation. Making use of the center manifold and normal form theorems, we concentrate on the situation in which flutter and divergence become coupled, and show that there are essentially two ways in which this is likely to occur. In the first case the system can be reduced to an essential model which takes the form of a single degree of freedom nonlinear oscillator. This system, which may be analyzed by conventional phase-plane techniques, captures all the qualitative features of the full system. We discuss the reduction and show how the nonlinear terms may be simplified and put into normal form. Invariant manifold theory and the normal form theorem play a major role in this work and this paper serves as an introduction to their application in mechanics. Repeating the approach in the second case, we show that the essential model is now three dimensional and that far more complex behavior is possible, including nonperiodic and ‘chaotic’ motions. Throughout, we take a two degree of freedom system as an example, but the general methods are applicable to multi- and even infinite degree of freedom problems.

  5. Solute transport in coupled inland-coastal water systems. General conceptualisation and application to Forsmark

    Energy Technology Data Exchange (ETDEWEB)

    Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen (Dept. of Physical Geography, Quaternary Geology, Stockholm Univ., Stockholm (Sweden))

    2007-12-15

    diffuse and occurring through SGD, small transient streams and/or coastal wetlands. Regarding transport quantifications, hydrogeochemical characteristics and pollution source loads may generally differ between larger, monitored catchments and smaller unmonitored coastal catchments. Since national hydrological monitoring data systematically exclude smaller, coastal catchments, they may not be representative for conditions in Forsmark (or Laxemar-Simpevarp). This emphasises the importance of extending in time the recently started hydrological and hydrogeochemical data series in the Forsmark and Laxemar-Simpevarp coastal catchment areas, since they are in effect unmonitored from a hydrological viewpoint, due to the lack of extended discharge time series. In the performed initial demonstration analysis of solute transport pathways from deep groundwater to recipients at the surface, we considered the main scenarios: (I) transport in the Quaternary deposits-bedrock interface zone only, and (II) transport in the coupled groundwater-surface water system. Considering mean travel times from each model cell to the coast, and disregarding travel times in the deep bedrock domain itself (which may be added to the here presented values), results show that travel times in scenario (II) were less than 4 years in 90% of the considered model area. Travel times were longer in scenario (I) with values higher than 10 years in 40% of the catchment area. These results are based on the assumption that the pathways do not go through zones of near-stagnant groundwater. If they would do so (and the above assumption is violated), results show that travel times can be considerably longer, for instance exceeding 400 years in half of the model area in scenario (I). Considering possible solute attenuation (caused by e.g. biogeochemical reactions or decay) along the hydrological transport pathways to inland surface waters and to the coast, we estimate solute mass delivery factors, representing the

  6. Solute transport in coupled inland-coastal water systems. General conceptualisation and application to Forsmark

    International Nuclear Information System (INIS)

    Jarsjoe, Jerker; Destouni, Georgia; Persson, Klas; Prieto, Carmen

    2007-12-01

    diffuse and occurring through SGD, small transient streams and/or coastal wetlands. Regarding transport quantifications, hydrogeochemical characteristics and pollution source loads may generally differ between larger, monitored catchments and smaller unmonitored coastal catchments. Since national hydrological monitoring data systematically exclude smaller, coastal catchments, they may not be representative for conditions in Forsmark (or Laxemar-Simpevarp). This emphasises the importance of extending in time the recently started hydrological and hydrogeochemical data series in the Forsmark and Laxemar-Simpevarp coastal catchment areas, since they are in effect unmonitored from a hydrological viewpoint, due to the lack of extended discharge time series. In the performed initial demonstration analysis of solute transport pathways from deep groundwater to recipients at the surface, we considered the main scenarios: (I) transport in the Quaternary deposits-bedrock interface zone only, and (II) transport in the coupled groundwater-surface water system. Considering mean travel times from each model cell to the coast, and disregarding travel times in the deep bedrock domain itself (which may be added to the here presented values), results show that travel times in scenario (II) were less than 4 years in 90% of the considered model area. Travel times were longer in scenario (I) with values higher than 10 years in 40% of the catchment area. These results are based on the assumption that the pathways do not go through zones of near-stagnant groundwater. If they would do so (and the above assumption is violated), results show that travel times can be considerably longer, for instance exceeding 400 years in half of the model area in scenario (I). Considering possible solute attenuation (caused by e.g. biogeochemical reactions or decay) along the hydrological transport pathways to inland surface waters and to the coast, we estimate solute mass delivery factors, representing the

  7. The coupled code system DORT-TD/THERMIX and its application to the OECD/NEA/NSC PBMR400 MW coupled neutronics thermal hydraulics transient benchmark

    International Nuclear Information System (INIS)

    Pautz, A.; Tyobeka, B.; Ivanov, K.

    2009-01-01

    In new reactor designs that are still under review such as the Pebble Bed Modular Reactor (PBMR), not much experimental data exists to benchmark newly developed computer codes against. Such a situation requires that nuclear engineers and designers of this novel reactor design must resort to the validation of a newly developed code through a code-to-code benchmarking exercise because there are validated codes that are currently in use to analyze this reactor design, albeit very few of them. There are numerous HTR core physics benchmarks that are currently being pursued by different organizations, for different purposes. One such benchmark exercise is the PBMR-400MW OECD/NEA coupled neutronics/thermal hydraulics transient benchmark. In this paper, a newly developed coupled neutronics thermal hydraulics code system, DORT-TD/THERMIX with both transport and diffusion theory options, is used to simulate both the steady-state as well as several transient scenarios in this benchmark problem. (orig.)

  8. The path to clean energy: direct coupling of nuclear and renewable technologies for thermal and electrical applications

    Energy Technology Data Exchange (ETDEWEB)

    Bragg-Sitton, Shannon [Idaho National Lab. (INL), Idaho Falls, ID (United States). Nuclear Fuel Performance and Design; Boardman, Richard [Idaho National Lab. (INL), Idaho Falls, ID (United States). Advanced Process and Decision Systems; Ruth, Mark [National Renewable Energy Lab. (NREL), Golden, CO (United States). Strategic Energy Analysis Center

    2015-07-01

    The U.S. Department of Energy (DOE) recognizes the need to transform the energy infrastructure of the U.S. and elsewhere to systems that can significantly reduce environmental impacts in an efficient and economically viable manner while utilizing both clean energy generation sources and hydrocarbon resources. Thus, DOE is supporting research and development that could lead to more efficient utilization of clean nuclear and renewable energy generation sources. A concept being advanced by the DOE Offices of Nuclear Energy (NE) and Energy Efficiency and Renewable Energy (EERE) is tighter coupling of nuclear and renewable energy sources in a manner that better optimizes energy use for the combined electricity, industrial manufacturing, and the transportation sectors. This integration concept has been referred to as a “hybrid system” that is capable of providing energy (thermal or electrical) where it is needed, when it is needed. For the purposes of this work, the hybrid system would integrate two or more energy resources to generate two or more products, one of which must be an energy commodity, such as electricity or transportation fuel. This definition requires coupling of subsystems ‘‘behind’’ the electrical transmission bus, where energy flows are dynamically apportioned as necessary to meet demand and the system has a single connection to the grid that provides dispatchable electricity as required while capital intensive generation assets operate at full capacity. Development of integrated energy systems for an “energy park” must carefully consider the intended location and the associated regional resources, traditional industrial processes, energy delivery infrastructure, and markets to identify viable region-specific system configurations. This paper will provide an overview of the current status of regional hybrid energy system design, development and application of dynamic analysis tools to assess technical and economic performance, and

  9. Effective Application of Bicelles for Conformational Analysis of G Protein-Coupled Receptors by Hydrogen/Deuterium Exchange Mass Spectrometry

    Science.gov (United States)

    Duc, Nguyen Minh; Du, Yang; Thorsen, Thor S.; Lee, Su Youn; Zhang, Cheng; Kato, Hideaki; Kobilka, Brian K.; Chung, Ka Young

    2015-05-01

    G protein-coupled receptors (GPCRs) have important roles in physiology and pathology, and 40% of drugs currently on the market target GPCRs for the treatment of various diseases. Because of their therapeutic importance, the structural mechanism of GPCR signaling is of great interest in the field of drug discovery. Hydrogen/deuterium exchange mass spectrometry (HDX-MS) is a useful tool for analyzing ligand binding sites, the protein-protein interaction interface, and conformational changes of proteins. However, its application to GPCRs has been limited for various reasons, including the hydrophobic nature of GPCRs and the use of detergents in their preparation. In the present study, we tested the application of bicelles as a means of solubilizing GPCRs for HDX-MS studies. GPCRs (e.g., β2-adrenergic receptor [β2AR], μ-opioid receptor, and protease-activated receptor 1) solubilized in bicelles produced better sequence coverage (greater than 90%) than GPCRs solubilized in n-dodecyl-β-D-maltopyranoside (DDM), suggesting that bicelles are a more effective method of solubilization for HDX-MS studies. The HDX-MS profile of β2AR in bicelles showed that transmembrane domains (TMs) undergo lower deuterium uptake than intracellular or extracellular regions, which is consistent with the fact that the TMs are highly ordered and embedded in bicelles. The overall HDX-MS profiles of β2AR solubilized in bicelles and in DDM were similar except for intracellular loop 3. Interestingly, we detected EX1 kinetics, an important phenomenon in protein dynamics, at the C-terminus of TM6 in β2AR. In conclusion, we suggest the application of bicelles as a useful method for solubilizing GPCRs for conformational analysis by HDX-MS.

  10. Reconstruction and flux analysis of coupling between metabolic pathways of astrocytes and neurons: application to cerebral hypoxia

    Directory of Open Access Journals (Sweden)

    Akιn Ata

    2007-12-01

    Full Text Available Abstract Background It is a daunting task to identify all the metabolic pathways of brain energy metabolism and develop a dynamic simulation environment that will cover a time scale ranging from seconds to hours. To simplify this task and make it more practicable, we undertook stoichiometric modeling of brain energy metabolism with the major aim of including the main interacting pathways in and between astrocytes and neurons. Model The constructed model includes central metabolism (glycolysis, pentose phosphate pathway, TCA cycle, lipid metabolism, reactive oxygen species (ROS detoxification, amino acid metabolism (synthesis and catabolism, the well-known glutamate-glutamine cycle, other coupling reactions between astrocytes and neurons, and neurotransmitter metabolism. This is, to our knowledge, the most comprehensive attempt at stoichiometric modeling of brain metabolism to date in terms of its coverage of a wide range of metabolic pathways. We then attempted to model the basal physiological behaviour and hypoxic behaviour of the brain cells where astrocytes and neurons are tightly coupled. Results The reconstructed stoichiometric reaction model included 217 reactions (184 internal, 33 exchange and 216 metabolites (183 internal, 33 external distributed in and between astrocytes and neurons. Flux balance analysis (FBA techniques were applied to the reconstructed model to elucidate the underlying cellular principles of neuron-astrocyte coupling. Simulation of resting conditions under the constraints of maximization of glutamate/glutamine/GABA cycle fluxes between the two cell types with subsequent minimization of Euclidean norm of fluxes resulted in a flux distribution in accordance with literature-based findings. As a further validation of our model, the effect of oxygen deprivation (hypoxia on fluxes was simulated using an FBA-derivative approach, known as minimization of metabolic adjustment (MOMA. The results show the power of the

  11. The establishment and application of direct coupled electrostatic-structural field model in electrostatically controlled deployable membrane antenna

    Science.gov (United States)

    Gu, Yongzhen; Duan, Baoyan; Du, Jingli

    2018-05-01

    The electrostatically controlled deployable membrane antenna (ECDMA) is a promising space structure due to its low weight, large aperture and high precision characteristics. However, it is an extreme challenge to describe the coupled field between electrostatic and membrane structure accurately. A direct coupled method is applied to solve the coupled problem in this paper. Firstly, the membrane structure and electrostatic field are uniformly described by energy, considering the coupled problem is an energy conservation phenomenon. Then the direct coupled electrostatic-structural field governing equilibrium equations are obtained by energy variation approach. Numerical results show that the direct coupled method improves the computing efficiency by 36% compared with the traditional indirect coupled method with the same level accuracy. Finally, the prototype has been manufactured and tested and the ECDMA finite element simulations show good agreement with the experiment results as the maximum surface error difference is 6%.

  12. Energy flows modelling of a PEM electrolyzer-Photovoltaic generator-PEM fuel cell coupling dedicated to stationary applications

    International Nuclear Information System (INIS)

    Agbli, Krehi Serge

    2012-01-01

    A standalone multi-source system based on the coupling of photovoltaic energy and both a PEM electrolyzer and a PEMFC for stationary application is studied. The system gathers photovoltaic array as main energy source, ultra-capacitors and batteries packs in order to smooth respectively fast and medium dynamic by supplying the load or by absorbing photovoltaic source overproduction. Because of the necessity of fuel availability, especially for islanding application like this one, a PEM electrolyzer is integrated to the system for in situ hydrogen production. The relevance of PEMFC system powered by solar hydrogen is pointed out before examining hydrogen storage issue. Energetic and economic analyses have been performed leading to the choice of the pressurised hydrogen storage (in the bottle) rather than hydrogen storage both as liquid and within metal hydride. The main purpose being the proper management of the power flows in order to meet the energy requirement (the load) without power cut, a graphical modelling tool namely Energetic Macroscopic Representation (EMR) is used because of its analysis and control strengths. The EMR ability to describe multi-physics energetic tools is used to develop a PEM electrolyzer model. The multi-domain interaction between the electrical, the electrochemical, the thermodynamic and the fluidic domain is emphasised. Moreover, the temperature variation influence on the electrochemical parameters of the electrolyzer is taken into account by the developed EMR model. Afterwards, thanks to the modular feature of the EMR, the different models of each energetic entity of the system are performed before their assembling leading to the overall system EMR model. By using scale effect allowing extending the energetic tool power range from the experimental validation one to another one, the energetic system sizing is performed according to a household power profile. Then, by the help of the multi-level representation, the maximal control

  13. Modeling, fabrication and plasma actuator coupling of flexible pressure sensors for flow separation detection and control in aeronautical applications

    International Nuclear Information System (INIS)

    Francioso, L; De Pascali, C; Siciliano, P; Pescini, E; De Giorgi, M G

    2016-01-01

    Preventing the flow separation could enhance the performance of propulsion systems and future civil aircraft. To this end, a fast detection of boundary layer separation is mandatory for a sustainable and successful application of active flow control devices, such as plasma actuators. The present work reports on the design, fabrication and functional tests of low-cost capacitive pressure sensors coupled with dielectric barrier discharge (DBD) plasma actuators to detect and then control flow separation. Finite element method (FEM) simulations were used to obtain information on the deflection and the stress distribution in different-shaped floating membranes. The sensor sensitivity as a function of the pressure load was also calculated by experimental tests. The results of the calibration of different capacitive pressure sensors are reported in this work, together with functional tests in a wind tunnel equipped with a curved wall plate on which a DBD plasma actuator was mounted to control the flow separation. The flow behavior was experimentally investigated by particle image velocimetry (PIV) measurements. Statistical and spectral analysis, applied to the output signals of the pressure sensor placed downstream of the profile leading edge, demonstrated that the sensor is able to discriminate different ionic wind velocity and turbulence conditions. The sensor sensitivity in the 0–100 Pa range was experimentally measured and it ranged between 0.0030 and 0.0046 pF Pa −1 for the best devices. (paper)

  14. Analytical applications of atomic spectroscopy, with particular reference to inductively coupled plasma emission analysis of coal and fly ash

    International Nuclear Information System (INIS)

    Pougnet, M.A.B.

    1983-08-01

    This thesis outlines the analytical applications of atomic emission and absorption spectroscopy to a variety of materials. Special attention was directed to the analysis of coal and coal ashes. A simple slurry sampling technique was developed and used to determine V, Ni, Co, Mo and Mn in the National Bureau of Standards Standard Reference Materials (NBS-SRM) coals 1632a and 1635 by furnace atomic absorption spectroscopy (FAAS). Coal and fly ash were analysed by inductively coupled plasma atomic emission spectroscopy (ICP-AES). The determination of B, Be, Li, C, K and other trace elements by ICP-AES was investigated. Analytical methods were developed for the analysis of coal, fly ash and water samples. Fusion with sodium carbonate and a digestion bomb dissolution method were compared for the determination of boron in a South African boron-rich mineral (Kornerupine). Eight elements were determined in 10 industrial water samples from a power plant. Ca, Mg, Si and B were determined by ICP-AES and V, Ni, Co and Mo by FAAS. Various problems encountered during the course of the work and interferences in ICP-AES analysis are discussed. Some recommendations concerning method development and routine analysis by this technique are suggested

  15. Adapting mass spectrometry-based platforms for clinical proteomics applications: The capillary electrophoresis coupled mass spectrometry paradigm

    Science.gov (United States)

    Metzger, Jochen; Luppa, Peter B.; Good, David M.; Mischak, Harald

    2018-01-01

    Single biomarker detection is common in clinical laboratories due to the currently available method spectrum. For various diseases, however, no specific single biomarker could be identified. A strategy to overcome this diagnostic void is to shift from single analyte detection to multiplexed biomarker profiling. Mass spectrometric methods were employed for biomarker discovery in body fluids. The enormous complexity of biofluidic proteome compartments implies upstream fractionation. For this reason, mass spectrometry (MS) was coupled to two-dimensional gel electrophoresis, liquid chromatography, surface-enhanced laser desorption/ionization, or capillary electrophoresis (CE). Differences in performance and operating characteristics make them differentially suited for routine laboratory applications. Progress in the field of clinical proteomics relies not only on the use of an adequate technological platform, but also on a fast and efficient proteomic workflow including standardized sample preparation, proteomic data processing, statistical validation of biomarker selection, and sample classification. Based on CE-MS analysis, we describe how proteomic technology can be implemented in a clinical laboratory environment. In the last part of this review, we give an overview of CE-MS-based clinical studies and present information on identity and biological significance of the identified peptide biomarkers providing evidence of disease-induced changes in proteolytic processing and posttranslational modification. PMID:19404829

  16. Evaluation of Pentafluoroethane and 1,1-Difluoroethane for a Dielectric Etch Application in an Inductively Coupled Plasma Etch Tool

    Science.gov (United States)

    Karecki, Simon; Chatterjee, Ritwik; Pruette, Laura; Reif, Rafael; Sparks, Terry; Beu, Laurie; Vartanian, Victor

    2000-07-01

    In this work, a combination of two hydrofluorocarbon compounds, pentafluoroethane (FC-125, C2HF5) and 1,1-difluoroethane (FC-152a, CF2H-CH3), was evaluated as a potential replacement for perfluorocompounds in dielectric etch applications. A high aspect ratio oxide via etch was used as the test vehicle for this study, which was conducted in a commercial inductively coupled high density plasma etch tool. Both process and emissions data were collected and compared to those provided by a process utilizing a standard perfluorinated etch chemistry (C2F6). Global warming (CF4, C2F6, CHF3) and hygroscopic gas (HF, SiF4) emissions were characterized using Fourier transform infrared (FTIR) spectroscopy. FC-125/FC-152a was found to produce significant reductions in global warming emissions, on the order of 68 to 76% relative to the reference process. Although etch stopping, caused by a high degree of polymer deposition inside the etched features, was observed, process data otherwise appeared promising for an initial study, with good resist selectivity and etch rates being achieved.

  17. Characterization of Ca co-doped LSO:Ce scintillators coupled to SiPM for PET applications

    International Nuclear Information System (INIS)

    Bisogni, M.G.; Collazuol, G.M.; Marcatili, S.; Melcher, C.L.; Del Guerra, A.

    2011-01-01

    Scintillators suitable for PET applications must be characterized by a high efficiency for gamma-ray detection, determined by a high density and atomic number of the crystal; a fast light signal that allows to achieve a good time resolution and to cope with high counting rates; a high light yield for a good energy and time resolution; a good linearity of the light output as a function of the energy to preserve the intrinsic energy resolution of the scintillator. Recently developed LSO:Ce scintillators, co-doped with Ca, have been produced by the University of Tennessee group. They are characterized by the improved performance of most the above-mentioned characteristics. The crystals, initially tested with PMTs, showed a higher light output, faster light pulse, improved energy resolution and reduced afterglow, as compared to the standard LSO:Ce crystals. Even though the PMTs still represent the gold standard photodetectors, the recently available SiPMs are now valid candidate to replace PMTs in the next generation of PET scanners thanks to their compactness, high spatial resolution performances, low bias operating voltage and, most important for combined PET/MRI systems, insensitivity to static and RF fields. In this work we present the performance of Ca co-doped LSO:Ce samples coupled to SiPMs and PMTs. In particular we have assessed their performances by evaluating the energy and time resolution.

  18. Application of 3D coupled code ATHLET-QUABOX/CUBBOX for RBMK-1000 transients after graphite block modernization

    Energy Technology Data Exchange (ETDEWEB)

    Samokhin, Aleksei [Scientific and Engineering Centre for Nuclear and Radiation Safety (SEC NRS), Moscow (Russian Federation); Zilly, Matias [Gesellschaft fuer Anlagen- und Reaktorsicherheit (GRS) gGmbH, Garching (Germany)

    2016-11-15

    This work describes the application and the results of transient calculations for the RBMK-1000 with the coupled code system ATHLET 2.2A-QUABOX/CUBBOX which was developed in GRS. Within these studies the planned modernization of the graphite blocks of the RBMK-1000 reactor is taken into account. During the long-term operation of the uranium-graphite reactors RBMK-1000, a change of physical and mechanical properties of the reactor graphite blocks is observed due to the impact of radiation and temperature effects. These have led to a deformation of the reactor graphite columns and, as a result, a deformation of the control and protection system (CPS) and of fuel channels. Potentially, this deformation can lead to problems affecting the smooth movement of the control rods in the CPS channels and problems during the loading and unloading of fuel assemblies. The present paper analyzes two reactivity insertion transients, each taking into account three graphite removal scenarios. The presented work is directly connected with the modernization program of the RBMK- 1000 reactors and has an important contribution to the assessment of the safety-relevant parameters after the modification of the core graphite blocks.

  19. Applications of a lead pile coupled with fast reactor core of Yayoi as an intermediate energy neutron standard field

    International Nuclear Information System (INIS)

    Kosako, Toshiso; Nakazawa, Masaharu; Sekiguchi, Akira; Wakabayashi, Hiroaki.

    1976-10-01

    Intermediate neutron column of YAYOI reactor is here evaluated as an intermediate energy neutron standard field which provides a base of the measurements of various reaction rates in that energy region, including detector calibration and Doppler coefficient determination. The experiments were performed using YAYOI's core as a fast neutron source by coupling with the large lead pile, which is a 160 ton's octagon of 2.5 m high and with a thickness of about 2.5 m face to face distance. Spatial variation of the neutron flux in the lead pile was estimated by gold activation foils, and the neutron spectrum by sandwich foils, a helium-3 proportional counter and a proton recoil counter. The calculated results were obtained using one and two- dimensional discrete ordinate code, ANISN and TWOTRAN II. Through comparison of experiment with calculation, it became clear that the neutron field at the central block has simple energy spectrum and stable spatial distribution of the neutron flux, the absolute of which was 5.0 x 10 4 (n/cm 2 /sec/Watt) at the representative energy of 1 KeV. The energy spectrum of the position and the spatial dependent neutron flux in the lead pile are both represented by the semiempirical formula, which must be useful both for evaluation of experimental data and for future applications. (auth.)

  20. Modeling, fabrication and plasma actuator coupling of flexible pressure sensors for flow separation detection and control in aeronautical applications

    Science.gov (United States)

    Francioso, L.; De Pascali, C.; Pescini, E.; De Giorgi, M. G.; Siciliano, P.

    2016-06-01

    Preventing the flow separation could enhance the performance of propulsion systems and future civil aircraft. To this end, a fast detection of boundary layer separation is mandatory for a sustainable and successful application of active flow control devices, such as plasma actuators. The present work reports on the design, fabrication and functional tests of low-cost capacitive pressure sensors coupled with dielectric barrier discharge (DBD) plasma actuators to detect and then control flow separation. Finite element method (FEM) simulations were used to obtain information on the deflection and the stress distribution in different-shaped floating membranes. The sensor sensitivity as a function of the pressure load was also calculated by experimental tests. The results of the calibration of different capacitive pressure sensors are reported in this work, together with functional tests in a wind tunnel equipped with a curved wall plate on which a DBD plasma actuator was mounted to control the flow separation. The flow behavior was experimentally investigated by particle image velocimetry (PIV) measurements. Statistical and spectral analysis, applied to the output signals of the pressure sensor placed downstream of the profile leading edge, demonstrated that the sensor is able to discriminate different ionic wind velocity and turbulence conditions. The sensor sensitivity in the 0-100 Pa range was experimentally measured and it ranged between 0.0030 and 0.0046 pF Pa-1 for the best devices.

  1. Application of slurry nebulization to trace elemental analysis of some biological samples by inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    Mochizuki, T.; Sakashita, A.; Iwata, H.; Ishibashi, Y.; Gunji, N.

    1991-01-01

    The application of slurry nebulization/inductively coupled plasma mass spectrometry (ICP-MS) to trace elemental analysis of biological samples has been investigated. Three standard samples of the National Institute of Standards and Technology (NIST) were dispersed in 1% aqueous Triton X-100 solution by grinding with a planetary micronizing mill. The resulting slurries were nebulized into an ICP without any additional treatments. The 1% (m/v) slurry of the NIST bovine liver showed no significant influence on cone blockage and signal suppression/enhancement. Detection limit, precision and accuracy were discussed for the determination of 24 elements of interest in bovine liver, rice flour and pine needles. Detection limits ranged from 0.0001 μg g -1 for U to 0.52 μg g -1 for Zn at the effective integrating time of 10 s. For high mass elements, low blank values were obtained, yielding excellent limits ( -1 ). Acceptable accuracy and precision were obtained for most of the elements in the NIST bovine liver and rice flour, even for the volatile elements, such as As, Se and Br. However, relatively poor accuracy was obtained for the analysis of pine needles. (orig.)

  2. Evaluation of flow accelerated corrosion by coupled analysis of corrosion and flow dynamics (1), major features of coupled analysis and application for evaluation of wall thinning rate

    International Nuclear Information System (INIS)

    Naitoh, Masanori; Uchida, Shunsuke; Okada, Hidetoshi; Uehara, Yasushi; Koshizuka, Seiichi

    2009-01-01

    Six calculation steps have been prepared for predicting flow accelerated corrosion (FAC) occurrence and evaluating wall thinning rate. (1) Flow pattern and temperature in each elemental volume along the flow path are obtained with a 1D plant system code, (2) Corrosive conditions, e.g., oxygen concentration and electrochemical corrosion potential (ECP) along the flow path are calculated with a hydrazine-oxygen reaction code, (3) Precise flow patterns and mass transfer coefficients at the structure surface are calculated with a 3D CFD code, (4) Danger zones are evaluated by combining major FAC parameters, (5) Wall thinning rates are calculated with the coupled models of static electrochemical analysis and dynamic double oxide layer analysis at the identified danger zone, and then, (6) Residual life and effects of countermeasures can be evaluated. Anodic and cathodic current densities and ECPs were calculated with the static electrochemistry model, and ferrous ion release rate determined by the anodic current density was used as input for the dynamic double oxide layer model. Thickness of the oxide film and its characteristics determined by the dynamic double oxide layer model were used for the electrochemistry model to determine the resistances of cathodic current from the bulk to the surface and anodic current from the surface to the bulk. The calculated results of the coupled models had been compared with the data measured at operating Boiling Water Reactor (BWR) plants and it was demonstrated that the calculated results had good agreements with the measured ones. 6 step-evaluation procedures for liquid droplet impingement (LDI) were also proposed. (author)

  3. A new procedure for coupling antibody to paper discs for radioimmunoassay: application to the determination of alpha-fetoprotein

    International Nuclear Information System (INIS)

    Sasaki, T.; Tsukada, Y.; Hirai, H.

    1983-01-01

    Horse anti-alpha-fetoprotein was coupled to CM-cellulose discs by a modified carbodiimide reaction. The resulting coupled CM-discs were used in solid-phase radioimmunoassay of human alpha-fetoprotein. The sensitivity of these discs and conventional BrCN activated filter paper discs coupled anti-alpha-fetoprotein was approximately the same. A fair correlation between the alpha-fetoprotein levels determined by both methods was observed. The coupling procedure with carbodiimide is simple and the use of hazardous BrCN is eliminated. (Auth.)

  4. Coupled cooling method and application of latent heat thermal energy storage combined with pre-cooling of envelope: Method and model development

    International Nuclear Information System (INIS)

    Yuan, Yanping; Gao, Xiangkui; Wu, Hongwei; Zhang, Zujin; Cao, Xiaoling; Sun, Liangliang; Yu, Nanyang

    2017-01-01

    The traditional cooling methods cannot meet the requirements of safety, stability, reliability and no-power at the same time under some special circumstances. In this study, a new coupled cooling method of Latent Heat Thermal Energy Storage (LHTES) combined with Pre-cooling of Envelope (PE) is proposed and the numerical model of the coupled cooling method is developed. In the current study, a refuge chamber is selected as a case study. A semi-analytical method is used to analyze the cold storage performance of the Surrounding Rock (SR). Afterwards, a numerical model of the coupled cooling system, which takes the heat source, SR, Phase Change Material (PCM) and air heat transfer into consideration, is further established. The study identified that the simplified semi-analytical calculation formula with the diagram of the cold storage quantity of SR are very helpful for engineering calculation. The influence of the Fourier and Biot number on the cold storage capacity of SR can be easily analyzed. In addition, the whole-field model of the coupled cooling system is completely developed based on the PCM unit. - Highlights: • A new coupled cooling method that combines LHTES with PE is proposed. • This method can be applicable to a high-temperature and no-power circumstance. • The simplified calculation formula of the cold storage quantity of SR is given. • An efficient simulation model of the coupled cooling system is established.

  5. Evaluation of a SiPM array detector coupled to a LFS-3 pixellated scintillator for PET/MR applications

    International Nuclear Information System (INIS)

    David, Stratos; Fysikopoulos, Eleftherios; Georgiou, Maria; Loudos, George

    2015-01-01

    SiPM arrays are insensitive to magnetic fields and thus good candidates for hybrid PET/MR imaging systems. Moreover, due to their small size and flexibility can be used in dedicated small field of view small animal imaging detectors and especially in head PET/MR studies in mice. Co-doped LFS-3 scintillator crystals have higher light yield and slightly faster response than that of LSO:Ce mainly due to the co-doped activation of emission centers with varying materials such as Ce, Gd, Sc, Y, La, Tb, or Ca distributed at the molecular scale through the lutetium silicate crystal host. The purpose of this study is to investigate the behavior of the SensL ArraySL-4 (4x4 element array of 3x3 mm 2 silicon photomultipliers) optical detector coupled to a 6x6 LFS-3 scintillator array, with 2x2x5 mm 3 crystal size elements, for possible applications in small field of view PET/MR imaging detectors. We have designed a symmetric resistive charge division circuit to read out the signal outputs of 4x4 pixel SiPM array reducing the 16 pixel outputs of the photodetector to 4 position signals. The 4 position signals were digitized using free running Analog to Digital Converters. The ADCs sampling rate was 50 MHz. An FPGA (Spartan 6 LX150T) was used for triggering and digital signal processing of the pulses. Experimental evaluation was carried out with 22 Na radioactive source and the parameters studied where energy resolution and peak to valley ratio. The first preliminary results of the evaluation shows a clear visualization of the discrete 2x2x5 mm 3 LFS-3 scintillator elements. The mean peak to valley ratio of the horizontal profiles on the raw image was measured equal to 11 while the energy resolution was calculated equal to 30% at the central pixels.

  6. Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Bo [William R. Wiley Environmental; Kowalski, Karol [William R. Wiley Environmental

    2017-08-11

    The representation and storage of two-electron integral tensors are vital in large- scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this paper, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition of the two-electron integral tensor in our implementation. For the size of atomic basis set N_b ranging from ~ 100 up to ~ 2, 000, the observed numerical scaling of our implementation shows O(N_b^{2.5~3}) versus O(N_b^{3~4}) of single CD in most of other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic-orbital (AO) two-electron integral tensor from O(N_b^4) to O(N_b^2 log_{10}(N_b)) with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled- cluster formalism employing single and double excitations (CCSD) on several bench- mark systems including the C_{60} molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10^{-4} to 10^{-3} to give acceptable compromise between efficiency and accuracy.

  7. G protein-coupled receptor transmembrane binding pockets and their applications in GPCR research and drug discovery: a survey.

    Science.gov (United States)

    Kratochwil, Nicole A; Gatti-McArthur, Silvia; Hoener, Marius C; Lindemann, Lothar; Christ, Andreas D; Green, Luke G; Guba, Wolfgang; Martin, Rainer E; Malherbe, Pari; Porter, Richard H P; Slack, Jay P; Winnig, Marcel; Dehmlow, Henrietta; Grether, Uwe; Hertel, Cornelia; Narquizian, Robert; Panousis, Constantinos G; Kolczewski, Sabine; Steward, Lucinda

    2011-01-01

    G protein-coupled receptors (GPCRs) share a common architecture consisting of seven transmembrane (TM) domains. Various lines of evidence suggest that this fold provides a generic binding pocket within the TM region for hosting agonists, antagonists, and allosteric modulators. Hence, an automated method was developed that allows a fast analysis and comparison of these generic ligand binding pockets across the entire GPCR family by providing the relevant information for all GPCRs in the same format. This methodology compiles amino acids lining the TM binding pocket including parts of the ECL2 loop in a so-called 1D ligand binding pocket vector and translates these 1D vectors in a second step into 3D receptor pharmacophore models. It aims to support various aspects of GPCR drug discovery in the pharmaceutical industry. Applications of pharmacophore similarity analysis of these 1D LPVs include definition of receptor subfamilies, prediction of species differences within subfamilies in regard to in vitro pharmacology and identification of nearest neighbors for GPCRs of interest to generate starting points for GPCR lead identification programs. These aspects of GPCR research are exemplified in the field of melanopsins, trace amine-associated receptors and somatostatin receptor subtype 5. In addition, it is demonstrated how 3D pharmacophore models of the LPVs can support the prediction of amino acids involved in ligand recognition, the understanding of mutational data in a 3D context and the elucidation of binding modes for GPCR ligands and their evaluation. Furthermore, guidance through 3D receptor pharmacophore modeling for the synthesis of subtype-specific GPCR ligands will be reported. Illustrative examples are taken from the GPCR family class C, metabotropic glutamate receptors 1 and 5 and sweet taste receptors, and from the GPCR class A, e.g. nicotinic acid and 5-hydroxytryptamine 5A receptor. © 2011 Bentham Science Publishers

  8. Characterization and Application of a Planar Radio - Inductively-Coupled Plasma Source for the Production of Barrier Coatings.

    Science.gov (United States)

    Mahoney, Leonard Joseph

    A planar radio-frequency (rf) inductively-coupled plasma (ICP) source is used to produce fluorocarbon discharges (CF_4/Ar) to fluorinate the surface of high-density polyethylene (HDPE). Using this system, concurrent studies of discharge characteristics, permeation properties of treated polymers and polymer surface characteristics are conducted to advance the use of plasma-fluorinated polymer surfaces as a barrier layer for automotive applications. Langmuir probes are used to determine spatial distribution of charged-particle and space-potential characteristics in Ar and CF_4/Ar discharges and to show the influence of the spatial distribution of the heating regions and the reactor boundaries on the discharge uniformity. Langmuir probes are also used to identify rf anisotropic drift motion of electrons in the heating regions of the source and transient high-energy electron features in pulsed discharges. These latter features allow pulsed ICP sources to be operated at low time-averaged powers that are necessary to treat thermally sensitive polymers. Fourier Transform Infrared (FITR) spectroscopy is used to measure the dissociation of fluorocarbon gases and to explore differences between pulsed- and continuous -power operation. Dissociation levels of CF_4 (50-85%) using pulsed-power operation are as high as that for continuous operation, even though the net time -averaged power is far less with pulsed operation. The result suggests that pulsed fluorocarbon discharges possess high concentrations of chemically-active species needed for rapid surface fluorination. A gravimetric permeation cup method is used to measure the permeation rate of test fuels through HDPE membranes, and electron spectroscopy for chemical analysis (ESCA) studies are performed to determine the stoichiometry and thickness of the barrier layer. From these studies we find that a 50-70 A thick, polar, fluoro-hydrocarbon over layer reduces the permeation of isooctane/toluene/methanol mixtures by a

  9. A novel domain overlapping strategy for the multiscale coupling of CFD with 1D system codes with applications to transient flows

    International Nuclear Information System (INIS)

    Grunloh, T.P.; Manera, A.

    2016-01-01

    Highlights: • A novel domain overlapping coupling method is presented. • Method calculates closure coefficients for system codes based on CFD results. • Convergence and stability are compared with a domain decomposition implementation. • Proposed method is tested in several 1D cases. • Proposed method found to exhibit more favorable convergence and stability behavior. - Abstract: A novel multiscale coupling methodology based on a domain overlapping approach has been developed to couple a computational fluid dynamics code with a best-estimate thermal hydraulic code. The methodology has been implemented in the coupling infrastructure code Janus, developed at the University of Michigan, providing methods for the online data transfer between the commercial computational fluid dynamics code STAR-CCM+ and the US NRC best-estimate thermal hydraulic system code TRACE. Coupling between these two software packages is motivated by the desire to extend the range of applicability of TRACE to scenarios in which local momentum and energy transfer are important, such as three-dimensional mixing. These types of flows are relevant, for example, in the simulation of passive safety systems including large containment pools, or for flow mixing in the reactor pressure vessel downcomer of current light water reactors and integral small modular reactors. The intrafluid shear forces neglected by TRACE equations of motion are readily calculated from computational fluid dynamics solutions. Consequently, the coupling methods used in this study are built around correcting TRACE solutions with data from a corresponding STAR-CCM+ solution. Two coupling strategies are discussed in the paper: one based on a novel domain overlapping approach specifically designed for transient operation, and a second based on the well-known domain decomposition approach. In the present paper, we discuss the application of the two coupling methods to the simulation of open and closed loops in both steady

  10. Electromagnetic clutches and couplings

    CERN Document Server

    Vorob'Yeva, T M; Fry, D W; Higinbotham, W

    2013-01-01

    Electromagnetic Clutches and Couplings contains a detailed description of U.S.S.R. electromagnetic friction clutches, magnetic couplings, and magnetic particle couplings. This book is divided into four chapters. The first chapter discusses the design and construction of magnetic (solenoid-operated) couplings, which are very quick-acting devices and used in low power high-speed servo-systems. Chapter 2 describes the possible fields of application, design, construction, and utilization of magnetic particle couplings. The aspects of construction, design, and utilization of induction clutches (sli

  11. Synchronization between Different Networks with Time-Varying Delay and Its Application in Bilayer Coupled Public Traffic Network

    Directory of Open Access Journals (Sweden)

    Wenju Du

    2016-01-01

    Full Text Available In order to study the dynamic characteristics of urban public traffic network, this paper establishes the conventional bus traffic network and the urban rail traffic network based on the space R modeling method. Then regarding these two networks as the subnetwork, the paper presents a new bilayer coupled public traffic network through the transfer relationship between subway and bus, and this model well reflects the connection between the passengers and bus operating vehicles. Based on the synchronization theory of coupling network with time-varying delay and taking “Lorenz system” as the network node, the paper studies the synchronization of bilayer coupled public traffic network. Finally, numerical results are given to show the impact of public traffic dispatching, delayed departure, the number of public bus stops between bus lines, and the number of transfer stations between two traffic modes on the bilayer coupled public traffic network balance through Matlab simulation.

  12. Increasing sync rate of pulse-coupled oscillators via phase response function design: theory and application to wireless networks

    OpenAIRE

    Wang, Yongqiang; Nunez, Felipe; Doyle III, Francis J.

    2012-01-01

    This paper addresses the synchronization rate of weakly connected pulse-coupled oscillators (PCOs). We prove that besides coupling strength, the phase response function is also a determinant of synchronization rate. Inspired by the result, we propose to increase the synchronization rate of PCOs by designing the phase response function. This has important significance in PCO-based clock synchronization of wireless networks. By designing the phase response function, synchronization rate is incr...

  13. Analytical applications of the electrochemiluminescence of tris(2,2'-bipyridyl)ruthenium(II) coupled to capillary/microchip electrophoresis: A review

    International Nuclear Information System (INIS)

    Su Ming; Wei Wei; Liu Songqin

    2011-01-01

    Graphical abstract: The mechanism of Ru(bpy) 3 2+ electrochemiluminescence, addition mode of Ru(bpy) 3 2+ , recent applications of capillary electrophoresis coupled with electrochemiluminescent detection in drug and other substrates analysis are reviewed. - Abstract: A comprehensive review on the development of analytical methods, by coupling electrochemiluminescence (ECL) detection with capillary electrophoresis (CE) and microchip electrophoresis (ME), is presented. After the description of the basic mechanism of ECL, the addition mode of luminescence reagent in CE-ECL system has been discussed. The analytical applications of the CE-ECL technique in terms of different analytes are also given. Due to the importance of ME as a separation method for the present and future, the ME detection methods based on ECL are considered in a relatively detailed way. Finally, possible trends for CE/ME-ECL in the near future are discussed.

  14. Analytical applications of the electrochemiluminescence of tris(2,2'-bipyridyl)ruthenium(II) coupled to capillary/microchip electrophoresis: A review

    Energy Technology Data Exchange (ETDEWEB)

    Su Ming; Wei Wei [School of Chemistry and Chemical Engineering, Southeast University, Nanjing, 211189 (China); Liu Songqin, E-mail: liusq@seu.edu.cn [School of Chemistry and Chemical Engineering, Southeast University, Nanjing, 211189 (China)

    2011-10-17

    Graphical abstract: The mechanism of Ru(bpy){sub 3}{sup 2+} electrochemiluminescence, addition mode of Ru(bpy){sub 3}{sup 2+}, recent applications of capillary electrophoresis coupled with electrochemiluminescent detection in drug and other substrates analysis are reviewed. - Abstract: A comprehensive review on the development of analytical methods, by coupling electrochemiluminescence (ECL) detection with capillary electrophoresis (CE) and microchip electrophoresis (ME), is presented. After the description of the basic mechanism of ECL, the addition mode of luminescence reagent in CE-ECL system has been discussed. The analytical applications of the CE-ECL technique in terms of different analytes are also given. Due to the importance of ME as a separation method for the present and future, the ME detection methods based on ECL are considered in a relatively detailed way. Finally, possible trends for CE/ME-ECL in the near future are discussed.

  15. Prediction of partial synchronization in delay-coupled nonlinear oscillators, with application to Hindmarsh–Rose neurons

    International Nuclear Information System (INIS)

    Ünal, Hakkı Ulaş; Michiels, Wim

    2013-01-01

    The full synchronization of coupled nonlinear oscillators has been widely studied. In this paper we investigate conditions for which partial synchronization of time-delayed diffusively coupled systems arises. The coupling configuration of the systems is described by a directed graph. As a novel quantitative result we first give necessary and sufficient conditions for the presence of forward invariant sets characterized by partially synchronous motion. These conditions can easily be checked from the eigenvalues and eigenvectors of the graph Laplacian. Second, we perform stability analysis of the synchronized equilibria in a (gain,delay) parameter space. For this analysis the coupled nonlinear systems are linearized around the synchronized equilibria and then the resulting characteristic function is factorized. By such a factorization, it is shown that the relation between the behaviour of different agents at the zero of the characteristic function depends on the structure of the eigenvectors of the weighted Laplacian matrix. By determining the structure of the solutions in the unstable manifold, combined with the characterization of invariant sets, we predict which partially synchronous regimes occur and estimate the corresponding coupling gain and delay values. We apply the obtained results to networks of coupled Hindmarsh–Rose neurons and verify the occurrence of the expected partially synchronous regimes by using a numerical simulation. We also make a comparison with an existing approach based on Lyapunov functionals. (paper)

  16. A Unique Coupled Common Fixed Point Theorem for Symmetric (φ,ψ-Contractive Mappings in Ordered G-Metric Spaces with Applications

    Directory of Open Access Journals (Sweden)

    Manish Jain

    2013-01-01

    Full Text Available We establish the existence and uniqueness of coupled common fixed point for symmetric (φ,ψ-contractive mappings in the framework of ordered G-metric spaces. Present work extends, generalize, and enrich the recent results of Choudhury and Maity (2011, Nashine (2012, and Mohiuddine and Alotaibi (2012, thereby, weakening the involved contractive conditions. Our theoretical results are accompanied by suitable examples and an application to integral equations.

  17. Application of “Boomerang” Linear Polystyrene-Stabilized Pd Nanoparticles to a Series of C-C Coupling Reactions in Water

    Directory of Open Access Journals (Sweden)

    Atsushi Ohtaka

    2015-02-01

    Full Text Available The application of a catch-and-release system for soluble Pd species between water (reaction medium and polystyrene (polymer support was examined in the Suzuki coupling reaction with 2-bromothiophene and the Heck reaction with styrene or bromobenzene. Although a slight increase in particle size was observed by TEM after re-stabilization of the Pd species on linear polystyrene, no agglomeration was observed.

  18. Liquid theory with high accuracy and broad applicability: Coupling parameter series expansion and non hard sphere perturbation strategy

    Directory of Open Access Journals (Sweden)

    Shiqi Zhou

    2011-12-01

    Full Text Available Thermodynamic and structural properties of liquids are of fundamental interest in physics, chemistry, and biology, and perturbation approach has been fundamental to liquid theoretical approaches since the dawn of modern statistical mechanics and remains so to this day. Although thermodynamic perturbation theory (TPT is widely used in the chemical physics community, one of the most popular versions of the TPT, i.e. Zwanzig (Zwanzig, R. W. J. Chem. Phys. 1954, 22, 1420-1426 1st-order high temperature series expansion (HTSE TPT and its 2nd-order counterpart under a macroscopic compressibility approximation of Barker-Henderson (Barker, J. A.; Henderson, D. J. Chem. Phys. 1967, 47, 2856-2861, have some serious shortcomings: (i the nth-order term of the HTSE is involved with reference fluid distribution functions of order up to 2n, and the higher-order terms hence progressively become more complicated and numerically inaccessible; (ii the performance of the HTSE rapidly deteriorates and the calculated results become even qualitatively incorrect as the temperature of interest decreases. This account deals with the developments that we have made over the last five years or so to advance a coupling parameter series expansion (CPSE and a non hard sphere (HS perturbation strategy that has scored some of its greatest successes in overcoming the above-mentioned difficulties. In this account (i we expatiate on implementation details of our schemes: how input information indispensable to high-order truncation of the CPSE in both the HS and non HS perturbation schemes is calculated by an Ornstein-Zernike integral equation theory; how high-order thermodynamic quantities, such as critical parameters and excess constant volume heat capacity, are extracted from the resulting excess Helmholtz free energy with irregular and inevitable numerical errors; how to select reference potential in the non HS perturbation scheme. (ii We give a quantitative analysis on why

  19. Evaluation of a SiPM array detector coupled to a LFS-3 pixellated scintillator for PET/MR applications

    Energy Technology Data Exchange (ETDEWEB)

    David, Stratos; Fysikopoulos, Eleftherios [Technological Educational Institute of Athens (Greece); Georgiou, Maria [Technological Educational Institute of Athens (Greece); Department of Medical School, University of Thessaly, Larissa (Greece); Loudos, George [Technological Educational Institute of Athens (Greece)

    2015-05-18

    SiPM arrays are insensitive to magnetic fields and thus good candidates for hybrid PET/MR imaging systems. Moreover, due to their small size and flexibility can be used in dedicated small field of view small animal imaging detectors and especially in head PET/MR studies in mice. Co-doped LFS-3 scintillator crystals have higher light yield and slightly faster response than that of LSO:Ce mainly due to the co-doped activation of emission centers with varying materials such as Ce, Gd, Sc, Y, La, Tb, or Ca distributed at the molecular scale through the lutetium silicate crystal host. The purpose of this study is to investigate the behavior of the SensL ArraySL-4 (4x4 element array of 3x3 mm{sup 2} silicon photomultipliers) optical detector coupled to a 6x6 LFS-3 scintillator array, with 2x2x5 mm{sup 3} crystal size elements, for possible applications in small field of view PET/MR imaging detectors. We have designed a symmetric resistive charge division circuit to read out the signal outputs of 4x4 pixel SiPM array reducing the 16 pixel outputs of the photodetector to 4 position signals. The 4 position signals were digitized using free running Analog to Digital Converters. The ADCs sampling rate was 50 MHz. An FPGA (Spartan 6 LX150T) was used for triggering and digital signal processing of the pulses. Experimental evaluation was carried out with {sup 22}Na radioactive source and the parameters studied where energy resolution and peak to valley ratio. The first preliminary results of the evaluation shows a clear visualization of the discrete 2x2x5 mm{sup 3} LFS-3 scintillator elements. The mean peak to valley ratio of the horizontal profiles on the raw image was measured equal to 11 while the energy resolution was calculated equal to 30% at the central pixels.

  20. Application of a generalized interface module to the coupling of PARCS with both RELAP5 and TRAC-M

    Energy Technology Data Exchange (ETDEWEB)

    Barber, D.A.; Wang, W. [SCIENTECH, Inc. (United States); Miller, R.M.; Downar, T.J. [Purdue Univ., West Lafayette, IN (United States); Joo, H.G. [Korean Atomic Energy Research Inst., Seoul (Korea, Republic of); Mousseau, V.A. [Los Alamos National Lab., NM (United States); Ebert, D.E. [Nuclear Regulatory Commission, Washington, DC (United States)

    1999-04-01

    In an effort to more easily assess various combinations of 3-D neutronic/thermal-hydraulic codes, the USNRC has sponsored the development of a generalized interface module for the coupling of any thermal-hydraulics code to any spatial kinetics code. In this design, the thermal-hydraulics, general interface, and spatial kinetics codes function independently and utilize the Parallel Virtual Machine (PVM) software to manage inter-process communication. Using this interface, the USNRC version of the 3D neutron kinetics code, PARCS, has been coupled to the USNRC system analysis codes RELAP5 and TRAC-M. RELAP5/PARCS assessment results are presented for an OECD/NEA main steam line break benchmark problem. The assessment of TRAC-M/PARCS has only recently been initiated; nonetheless, the capabilities of the coupled code are presented for the OECD/NEA main steam line break benchmark problem.

  1. Application of a generalized interface module to the coupling of PARCS with both RELAPS and TRAC-M

    International Nuclear Information System (INIS)

    Barber, D.A.; Wang, W.; Miller, R.M.; Downar, T.J.; Joo, H.G.; Mousseau, V.A.; Ebert, D.E.

    1999-01-01

    In an effort to more easily assess various combinations of 3-D neutronic/thermal-hydraulic codes, the USNRC has sponsored the development of a generalized interface module for the coupling of any thermal-hydraulics code to any spatial kinetics code. In this design, the thermal-hydraulics, general interface, and spatial kinetics codes function independently and utilize the Parallel Virtual Machine (PVM) software to manage inter-process communication. Using this interface, the USNRC version of the 3D neutron kinetics code, PARCS, has been coupled to the USNRC system analysis codes RELAP5 and TRAC-M. RELAP5/PARCS assessment results are presented for an OECD/NEA main steam line break benchmark problem. The assessment of TRAC-M/PARCS has only recently been initiated; nonetheless, the capabilities of the coupled code are presented for the OECD/NEA main steam line break benchmark problem

  2. Code Coupling via Jacobian-Free Newton-Krylov Algorithms with Application to Magnetized Fluid Plasma and Kinetic Neutral Models

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, Ilon [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-05-27

    Jacobian-free Newton-Krylov (JFNK) algorithms are a potentially powerful class of methods for solving the problem of coupling codes that address dfferent physics models. As communication capability between individual submodules varies, different choices of coupling algorithms are required. The more communication that is available, the more possible it becomes to exploit the simple sparsity pattern of the Jacobian, albeit of a large system. The less communication that is available, the more dense the Jacobian matrices become and new types of preconditioners must be sought to efficiently take large time steps. In general, methods that use constrained or reduced subsystems can offer a compromise in complexity. The specific problem of coupling a fluid plasma code to a kinetic neutrals code is discussed as an example.

  3. Increasing sync rate of pulse-coupled oscillators via phase response function design: theory and application to wireless networks.

    Science.gov (United States)

    Wang, Yongqiang; Núñez, Felipe; Doyle, Francis J

    2012-07-25

    This paper addresses the synchronization rate of weakly connected pulse-coupled oscillators (PCOs). We prove that besides coupling strength, the phase response function is also a determinant of synchronization rate. Inspired by the result, we propose to increase the synchronization rate of PCOs by designing the phase response function. This has important significance in PCO-based clock synchronization of wireless networks. By designing the phase response function, synchronization rate is increased even under a fixed transmission power. Given that energy consumption in synchronization is determined by the product of synchronization time and transformation power, the new strategy reduces energy consumption in clock synchronization. QualNet experiments confirm the theoretical results.

  4. Application of the stabilization method to the molecular states of LiHe3+: Energies and radial couplings

    International Nuclear Information System (INIS)

    Macias, A.; Mendizabal, R.; Pelayo, F.; Riera, A.; Yaez, M.

    1986-01-01

    We have used the stabilization method to perform calculations on autoionizing states of the LiHe 3+ system which are involved in Li 3+ +He collisions. The molecular energies and radial couplings are calculated with use of programs developed at our laboratory. For both short and large internuclear distances, the stabilization treatment is complemented by block-diagonalization techniques. Our calculations allow us to draw conclusions on the conditions under which these methods can be used to calculate energy positions and radial couplings for states that lie in an ionization continuum

  5. Single Switch Nonisolated Ultra-Step-Up DC-DC Converter with an Integrated Coupled Inductor for High Boost Applications

    DEFF Research Database (Denmark)

    Siwakoti, Yam P.; Blaabjerg, Frede

    2017-01-01

    This paper introduces a new single-switch nonisolated dc-dc converter with very high voltage gain and reduced semiconductor voltage stress. The converter utilizes an integrated autotransformer and a coupled inductor on the same core in order to achieve a very high voltage gain without using extreme...... duty cycle. Furthermore, a passive lossless clamp circuit recycles the leakage energy of the coupled magnetics and alleviates the voltage spikes across the main switch. This feature along with low stress on the switching device enables the designer to use a low voltage and low RDS-on MOSFET, which...

  6. Meson-baryon coupling constants from a chiral-invariant SU(3) Lagrangian and application to NN scattering

    International Nuclear Information System (INIS)

    Stoks, V.G.J.

    1997-01-01

    We present a chiral-invariant meson-baryon Lagrangian which describes the interactions of the baryon octet with the lowest-mass meson nonets. The nonlinear realization of the chiral symmetry generates pair-meson interaction vertices. The corresponding pair-meson coupling constants can all be expressed in terms of the meson-nucleon-nucleon pseudovector, scalar, and vector coupling constants, and their corresponding F/(F+D) ratios, and for which empirical estimates are given. We show that it is possible to construct an NN potential of reasonable quality satisfying these theoretical and empirical constraints. (orig.)

  7. Application of the stabilization method to the molecular states of LiHeT : Energies and radial couplings

    Energy Technology Data Exchange (ETDEWEB)

    Macias, A.; Mendizabal, R.; Pelayo, F.; Riera, A.; Yaez, M.

    1986-01-01

    We have used the stabilization method to perform calculations on autoionizing states of the LiHeT system which are involved in LiT +He collisions. The molecular energies and radial couplings are calculated with use of programs developed at our laboratory. For both short and large internuclear distances, the stabilization treatment is complemented by block-diagonalization techniques. Our calculations allow us to draw conclusions on the conditions under which these methods can be used to calculate energy positions and radial couplings for states that lie in an ionization continuum.

  8. Recovery of slow potentials in AC-coupled electrocorticography: application to spreading depolarizations in rat and human cerebral cortex

    DEFF Research Database (Denmark)

    Hartings, Jed A; Watanabe, Tomas; Dreier, Jens P

    2009-01-01

    Cortical spreading depolarizations (spreading depressions and peri-infarct depolarizations) are a pathology intrinsic to acute brain injury, generating large negative extracellular slow potential changes (SPCs) that, lasting on the order of minutes, are studied with DC-coupled recordings in animals...... of the inverse filter was validated by its ability to recover both simulated and real low-frequency input test signals. The inverse filter was then applied to AC-coupled ECoG recordings from five patients who underwent invasive monitoring after aneurysmal subarachnoid hemorrhage. For 117 SPCs, the inverse filter...

  9. Global dynamics of shaft lines of turbo-machineries coupled to surrounding fluids: application to the case of fluid sheets; Dynamique globale des lignes d'arbres de turbomachines couplees aux fluides environnants: application au cas des lames fluides

    Energy Technology Data Exchange (ETDEWEB)

    Lornage, D.

    2001-12-15

    Shaft lines of turbo-machineries have to stand increasing reliability, efficiency and safety requirements. A precise modeling of the rotating parts with all possible coupling has become necessary. In this context, this work aims to develop a global modeling of rotating wheel/shaft system inside a surrounding fluid in order to foresee its dynamical behaviour. The use and advantage of Eulerian, Lagrangian and mixed (arbitrary Lagrangian Eulerian - ALE) formulations is recalled first. A bibliographic synthesis of the classical techniques used in structure mechanics and of coupling techniques for rotating machines is presented. The coupling technique retained is presented. It uses fluid and structure models independently developed and validated. The structure domain is discretized by the finite-element method. The fluid domain is discretized by the finite-difference method taking into consideration the hypotheses linked with thin films. A modal base projection combined with a mesh at the fluid-structure interface allows an efficient, adaptable and evolutive coupling. Finally, the method is applied to 3 test-cases. The first two ones comprise a shaft/disc system coupled to a fluid sheet between the disc and the casing and to an hydrodynamic bearing. Both cases allow a first validation of the coupling method. The third case aims to study a structure closer to a real system made of a shaft and a wheel coupled to a fluid sheet between a flange and a casing. These three applications allow to show the trends linked with the fluid effects and the coupling between the flexible sub-parts of the structure. (J.S.)

  10. Evaluation of aerodynamic characteristics of a coupled fluid-structure system using generalized Bernoulli's principle: An application to vocal folds vibration.

    Science.gov (United States)

    Zhang, Lucy T; Yang, Jubiao

    2016-12-01

    In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli's principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli's principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions.

  11. Evaluation of aerodynamic characteristics of a coupled fluid-structure system using generalized Bernoulli’s principle: An application to vocal folds vibration

    Science.gov (United States)

    Zhang, Lucy T.; Yang, Jubiao

    2017-01-01

    In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli’s principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli’s principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions. PMID:29527541

  12. Development of sub-channel code SACoS and its application in coupled neutronics/thermal hydraulics system for SCWR

    International Nuclear Information System (INIS)

    Chaudri, Khurrum Saleem; Su Yali; Chen Ronghua; Tian Wenxi; Su Guanghui; Qiu Suizheng

    2012-01-01

    Highlights: ► A tool is developed for coupled neutronics/thermal-hydraulic analysis for SCWR. ► For thermal hydraulic analysis, a sub-channel code SACoS is developed and verified. ► Coupled analysis agree quite well with the reference calculations. ► Different choice of important parameters makes huge difference in design calculations. - Abstract: Supercritical Water Reactor (SCWR) is one of the promising reactors from the list of fourth generation of nuclear reactors. High thermal efficiency and low cost of electricity make it an attractive option in the era of growing energy demand. An almost seven fold density variation for coolant/moderator along the active height does not allow the use of constant density assumption for design calculations, as used for previous generations of reactors. The advancement in computer technology gives us the superior option of performing coupled analysis. Thermal hydraulics calculations of supercritical water systems present extra challenges as not many computational tools are available to perform that job. This paper introduces a new sub-channel code called Sub-channel Analysis Code of SCWR (SACoS) and its application in coupled analyses of High Performance Light Water Reactor (HPLWR). SACoS can compute the basic thermal hydraulic parameters needed for design studies of a supercritical water reactor. Multiple heat transfer and pressure drop correlations are incorporated in the code according to the flow regime. It has the additional capability of calculating the thermal hydraulic parameters of moderator flowing in water box and between fuel assemblies under co-current or counter current flow conditions. Using MCNP4c and SACoS, a coupled system has been developed for SCWR design analyses. The developed coupled system is verified by performing and comparing HPLWR calculations. The results were found to be in very good agreement. Significant difference between the results was seen when Doppler feedback effect was included in

  13. Dark coupling

    International Nuclear Information System (INIS)

    Gavela, M.B.; Hernández, D.; Honorez, L. Lopez; Mena, O.; Rigolin, S.

    2009-01-01

    The two dark sectors of the universe—dark matter and dark energy—may interact with each other. Background and linear density perturbation evolution equations are developed for a generic coupling. We then establish the general conditions necessary to obtain models free from non-adiabatic instabilities. As an application, we consider a viable universe in which the interaction strength is proportional to the dark energy density. The scenario does not exhibit ''phantom crossing'' and is free from instabilities, including early ones. A sizeable interaction strength is compatible with combined WMAP, HST, SN, LSS and H(z) data. Neutrino mass and/or cosmic curvature are allowed to be larger than in non-interacting models. Our analysis sheds light as well on unstable scenarios previously proposed

  14. Urchin-like TiO₂@C core-shell microspheres: coupled synthesis and lithium-ion battery applications.

    Science.gov (United States)

    Liu, Zhenyu; Liu, Jing; Liu, Junfeng; Wang, Li; Zhang, Guoxin; Sun, Xiaoming

    2014-05-21

    Carbon coated urchin-like TiO2 microspheres were prepared through coupled hydrolysis of titanium tetrachloride and catalyzed carbonization of glucose. Carbon coating endowed the composite with unusual structural stability at high temperature and reasonable Li-ion battery performance.

  15. An application of nonlinear supratransmission to the propagation of binary signals in weakly damped, mechanical systems of coupled oscillators

    International Nuclear Information System (INIS)

    Macias-Diaz, J.E.; Puri, A.

    2007-01-01

    In the present Letter, we simulate the propagation of binary signals in semi-infinite, mechanical chains of coupled oscillators harmonically driven at the end, by making use of the recently discovered process of nonlinear supratransmission. Our numerical results-which are based on a brand-new computational technique with energy-invariant properties-show an efficient and reliable transmission of information

  16. Coupling of electromagnetics and structural/fluid dynamics - application to the dual coolant blanket subjected to plasma disruptions

    International Nuclear Information System (INIS)

    Jordan, T.

    1996-01-01

    Some aspects concerning the coupling of quasi-stationary electromagnetics and the dynamics of structure and fluid are investigated. The necessary equations are given in a dimensionless form. The dimensionless parameters in these equations are used to evaluate the importance of the different coupling effects. A finite element formulation of the eddy-current damping in solid structures is developed. With this formulation, an existing finite element method (FEM) structural dynamics code is extended and coupled to an FEM eddy-current code. With this program system, the influence of the eddy-current damping on the dynamic loading of the dual coolant blanket during a centered plasma disruption is determined. The analysis proves that only in loosely fixed or soft structures will eddy-current damping considerably reduce the resulting stresses. Additionally, the dynamic behavior of the liquid metal in the blankets' poloidal channels is described with a simple two-dimensional magnetohydrodynamic approach. The analysis of the dimensionless parameters shows that for small-scale experiments, which are designed to model the coupled electromagnetic and structural/fluid dynamic effects in such a blanket, the same magnetic fields must be applied as in the real fusion device. This will be the easiest way to design experiments that produce transferable results. 10 refs., 7 figs

  17. Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic States

    Science.gov (United States)

    Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.

  18. Generalized coupled wake boundary layer model: applications and comparisons with field and LES data for two wind farms

    NARCIS (Netherlands)

    Stevens, Richard Johannes Antonius Maria; Gayme, Dennice F.; Meneveau, Charles

    2016-01-01

    We describe a generalization of the coupled wake boundary layer (CWBL) model for wind farms that can be used to evaluate the performance of wind farms under arbitrary wind inflow directions, whereas the original CWBL model (Stevens et al., J. Renewable and Sustainable Energy 7, 023115 (2015))

  19. Application of an Ensemble Kalman filter to a 1-D coupled hydrodynamic-ecosystem model of the Ligurian Sea

    NARCIS (Netherlands)

    Lenartz, F.; Raick, C.; Soetaert, K.E.R.; Grégoire, M.

    2007-01-01

    The Ensemble Kalman filter (EnKF) has been applied to a 1-D complex ecosystem model coupled with a hydrodynamic model of the Ligurian Sea. In order to improve the performance of the EnKF, an ensemble subsampling strategy has been used to better represent the covariance matrices and a pre-analysis

  20. Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and application.

    Science.gov (United States)

    Phillips, Jordan J; Peralta, Juan E

    2013-05-07

    We present a method for calculating magnetic coupling parameters from a single spin-configuration via analytic derivatives of the electronic energy with respect to the local spin direction. This method does not introduce new approximations beyond those found in the Heisenberg-Dirac Hamiltonian and a standard Kohn-Sham Density Functional Theory calculation, and in the limit of an ideal Heisenberg system it reproduces the coupling as determined from spin-projected energy-differences. Our method employs a generalized perturbative approach to constrained density functional theory, where exact expressions for the energy to second order in the constraints are obtained by analytic derivatives from coupled-perturbed theory. When the relative angle between magnetization vectors of metal atoms enters as a constraint, this allows us to calculate all the magnetic exchange couplings of a system from derivatives with respect to local spin directions from the high-spin configuration. Because of the favorable computational scaling of our method with respect to the number of spin-centers, as compared to the broken-symmetry energy-differences approach, this opens the possibility for the blackbox exploration of magnetic properties in large polynuclear transition-metal complexes. In this work we outline the motivation, theory, and implementation of this method, and present results for several model systems and transition-metal complexes with a variety of density functional approximations and Hartree-Fock.

  1. Unbiased minimum variance estimator of a matrix exponential function. Application to Boltzmann/Bateman coupled equations solving

    International Nuclear Information System (INIS)

    Dumonteil, E.; Diop, C. M.

    2009-01-01

    This paper derives an unbiased minimum variance estimator (UMVE) of a matrix exponential function of a normal wean. The result is then used to propose a reference scheme to solve Boltzmann/Bateman coupled equations, thanks to Monte Carlo transport codes. The last section will present numerical results on a simple example. (authors)

  2. A fluid system with coupled input and output, and its application to bottlenecks in ad hoc networks

    NARCIS (Netherlands)

    Mandjes, M.; Roijers, F.

    2007-01-01

    This paper studies a fluid queue with coupled input and output. Flows arrive according to a Poisson process, and when n flows are present, each of them transmits traffic into the queue at a rate c/(n+1), where the remaining c/(n+1) is used to serve the queue. We assume exponentially distributed flow

  3. A fluid system with coupled input and output, and its application to bottlenecks in ad hoc networks.

    NARCIS (Netherlands)

    Mandjes, M.R.H.; Roijers, F.

    2007-01-01

    Abstract: This paper studies a fluid queue with coupled input and output. Flows arrive according to a Poisson process, and when n flows are present, each of them transmits traffic into the queue at a rate c/(n+1), where the remaining c/(n+1) is used to serve the queue. We

  4. Effect of ferrite addition above the base ferrite on the coupling factor of wireless power transfer for vehicle applications

    DEFF Research Database (Denmark)

    Batra, Tushar; Schaltz, Erik; Ahn, Seungyoung

    2015-01-01

    and reduce magnetic emissions to the surroundings. Effect of adding extra ferrite above the base ferrite at different physical locations on the self-inductance, mutual inductance and coupling factor is under investigation in this paper. The addition can increase or decrease the mutual inductance depending...

  5. SU-E-E-08: Applications of the Quantization of Coupled Circuits in Radiation Physics (design of Klystron, Bremsstrahlung, Synchrotron)

    Energy Technology Data Exchange (ETDEWEB)

    Ulmer, W

    2015-06-15

    Purpose: During the past decade the quantization of coupled/forced electromagnetic circuits with or without Ohm’s resistance has gained the subject of some fundamental studies, since even problems of quantum electrodynamics can be solved in an elegant manner, e.g. the creation of quantized electromagnetic fields. In this communication, we shall use these principles to describe optimization procedures in the design of klystrons, synchrotron irradiation and high energy bremsstrahlung. Methods: The base is the Hamiltonian of an electromagnetic circuit and the extension to coupled circuits, which allow the study of symmetries and perturbed symmetries in a very apparent way (SU2, SU3, SU4). The introduction resistance and forced oscillators for the emission and absorption in such coupled systems provides characteristic resonance conditions, and atomic orbitals can be described by that. The extension to virtual orbitals leads to creation of bremsstrahlung, if the incident electron (velocity v nearly c) is described by a current, which is associated with its inductivitance and the virtual orbital to the charge distribution (capacitance). Coupled systems with forced oscillators can be used to amplify drastically the resonance frequencies to describe klystrons and synchrotron radiation. Results: The cross-section formula for bremsstrahlung given by the propagator method of Feynman can readily be derived. The design of klystrons and synchrotrons inclusive the radiation outcome can be described and optimized by the determination of the mutual magnetic couplings between the oscillators induced by the currents. Conclusions: The presented methods of quantization of circuits inclusive resistance provide rather a straightforward way to understand complex technical processes such as creation of bremsstrahlung or creation of radiation by klystrons and synchrotrons. They can either be used for optimization procedures and, last but not least, for pedagogical purposes with regard to

  6. Low voltage operation of electro-absorption modulator promising for high-definition 3D imaging application using a three step asymmetric coupled quantum well structure

    International Nuclear Information System (INIS)

    Na, Byung Hoon; Ju, Gun Wu; Cho, Yong Chul; Lee, Yong Tak; Choi, Hee Ju; Jeon, Jin Myeong; Lee, Soo Kyung; Park, Yong Hwa; Park, Chang Young

    2015-01-01

    In this paper, we propose a transmission type electro-absorption modulator (EAM) operating at 850 nm having low operating voltage and high absorption change with low insertion loss using a novel three step asymmetric coupled quantum well (3 ACQW) structure which can be used as an optical image shutter for high-definition (HD) three dimensional (3D) imaging. Theoretical calculations show that the exciton red shift of 3 ACQW structure is more than two times larger than that of rectangular quantum well (RQW) structure while maintaining high absorption change. The EAM having coupled cavities with 3 ACQW structure shows a wide spectral bandwidth and high amplitude modulation at a bias voltage of only -8V, which is 41% lower in operating voltage than that of RQW, making the proposed EAM highly attractive as an optical image shutter for HD 3D imaging applications

  7. Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems.

    Science.gov (United States)

    Huntington, Lee M J; Krupička, Martin; Neese, Frank; Izsák, Róbert

    2017-11-07

    The similarity transformed equation of motion coupled-cluster approach is extended for applications to high-spin open-shell systems, within the unrestricted Hartree-Fock (UHF) formalism. An automatic active space selection scheme has also been implemented such that calculations can be performed in a black-box fashion. It is observed that both the canonical and automatic active space selecting similarity transformed equation of motion (STEOM) approaches perform about as well as the more expensive equation of motion coupled-cluster singles doubles (EOM-CCSD) method for the calculation of the excitation energies of doublet radicals. The automatic active space selecting UHF STEOM approach can therefore be employed as a viable, lower scaling alternative to UHF EOM-CCSD for the calculation of excited states in high-spin open-shell systems.

  8. General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.

    Science.gov (United States)

    Hubert, Mickaël; Olsen, Jeppe; Loras, Jessica; Fleig, Timo

    2013-11-21

    We present a new implementation of general excitation rank coupled cluster theory for electronically excited states based on the single-reference multi-reference formalism. The method may include active-space selected and/or general higher excitations by means of the general active space concept. It may employ molecular integrals over the four-component Lévy-Leblond Hamiltonian or the relativistic spin-orbit-free four-component Hamiltonian of Dyall. In an initial application to ground- and excited states of the scandium monohydride molecule we report spectroscopic constants using basis sets of up to quadruple-zeta quality and up to full iterative triple excitations in the cluster operators. Effects due to spin-orbit interaction are evaluated using two-component multi-reference configuration interaction for assessing the accuracy of the coupled cluster results.

  9. Sensitivity enhanced NMR spectroscopy by quenching scalar coupling mediated relaxation: Application to the direct observation of hydrogen bonds in 13C/15N-labeled proteins

    Energy Technology Data Exchange (ETDEWEB)

    Liu Aizhuo; Hu Weidong; Qamar, Seema; Majumdar, Ananya [Memorial Sloan-Kettering Cancer Center, Cellular Biochemistry and Biophysics Program (United States)

    2000-05-15

    In this paper, we demonstrate that the sensitivity of triple-resonance NMR experiments can be enhanced significantly through quenching scalar coupling mediated relaxation by using composite-pulse decoupling (CPD) or an adiabatic decoupling sequence on aliphatic, in particular alpha-carbons in {sup 13}C/{sup 15}N-labeled proteins. The CPD-HNCO experiment renders 50% sensitivity enhancement over the conventional CT-HNCO experiment performed on a 12 kDa FK506 binding protein, when a total of 266 ms of amide nitrogen-carbonyl carbon defocusing and refocusing periods is employed. This is a typical time period for the direct detection of hydrogen bonds in proteins via trans-hydrogen bond {sup 3h}J{sub NC'} couplings. The experimental data fit theoretical analysis well. The significant enhancement in sensitivity makes the experiment more applicable to larger-sized proteins without resorting to perdeuteration.

  10. Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems

    Science.gov (United States)

    Huntington, Lee M. J.; Krupička, Martin; Neese, Frank; Izsák, Róbert

    2017-11-01

    The similarity transformed equation of motion coupled-cluster approach is extended for applications to high-spin open-shell systems, within the unrestricted Hartree-Fock (UHF) formalism. An automatic active space selection scheme has also been implemented such that calculations can be performed in a black-box fashion. It is observed that both the canonical and automatic active space selecting similarity transformed equation of motion (STEOM) approaches perform about as well as the more expensive equation of motion coupled-cluster singles doubles (EOM-CCSD) method for the calculation of the excitation energies of doublet radicals. The automatic active space selecting UHF STEOM approach can therefore be employed as a viable, lower scaling alternative to UHF EOM-CCSD for the calculation of excited states in high-spin open-shell systems.

  11. Development of a coupled dynamics code with transport theory capability and application to accelerator driven systems transients

    International Nuclear Information System (INIS)

    Cahalan, J.E.; Ama, T.; Palmiotti, G.; Taiwo, T.A.; Yang, W.S.

    2000-01-01

    The VARIANT-K and DIF3D-K nodal spatial kinetics computer codes have been coupled to the SAS4A and SASSYS-1 liquid metal reactor accident and systems analysis codes. SAS4A and SASSYS-1 have been extended with the addition of heavy liquid metal (Pb and Pb-Bi) thermophysical properties, heat transfer correlations, and fluid dynamics correlations. The coupling methodology and heavy liquid metal modeling additions are described. The new computer code suite has been applied to analysis of neutron source and thermal-hydraulics transients in a model of an accelerator-driven minor actinide burner design proposed in an OECD/NEA/NSC benchmark specification. Modeling assumptions and input data generation procedures are described. Results of transient analyses are reported, with emphasis on comparison of P1 and P3 variational nodal transport theory results with nodal diffusion theory results, and on significance of spatial kinetics effects

  12. Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

    Energy Technology Data Exchange (ETDEWEB)

    Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany and Max-Planck Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany)

    2015-07-28

    Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

  13. Development of a diffuse element matrix in 'planar' technology. A particular application: logical gate with coupled emitter

    International Nuclear Information System (INIS)

    Rousseau, P.

    1968-01-01

    In a first part, after a brief recall concerning 'planar' technology we discuss the various parasitic elements associated with integrated circuits components. Mathematical formulae of these elements are derived. In a second part, we present a matrix of 22 transistors and 12 resistors which has been realized. This matrix enables the integration of the major part of nuclear circuits. Some of the obtained circuits are shown, particularly an emitter coupled logic gate which presents good electrical behaviour. (author) [fr

  14. "Application, evaluation and sensitivity analysis of the coupled WRF-CMAQ system from regional to urban scales"

    Science.gov (United States)

    Appel, W.; Gilliam, R. C.; Mathur, R.; Roselle, S. J.; Pleim, J. E.; Hogrefe, C.; Pouliot, G.

    2017-12-01

    The Community Multiscale Air Quality (CMAQ) model is a state-of-the-science chemical transport model (CTM) capable of simulating the emission, transport and fate of numerous air pollutants. Similarly, the Weather Research and Forecasting (WRF) model is a state-of-the-science meteorological model capable of simulating meteorology at many scales (e.g. global to urban). The coupled WRF-CMAQ system integrates these two models in a "two-way" configuration which allows feedback effects between the chemical (e.g. aerosols) and physical (e.g. solar radiation) states of the atmosphere. In addition, the coupled modeling system allows for more frequent communication between the CTM and meteorological model than is typically done in uncoupled WRF-CMAQ simulations. The goal of this modeling exercise is to assess the ability of the coupled WRF-CMAQ system at fine-scales (e.g. 4km to 1km) through comparison with high space and time resolution field measurements, and comparing those results to the traditional regional scale (e.g. 12km) simulation. This work will specifically examine several fine-scale simulations over the Eastern United States and the Baltimore, MD/Washington D.C. region for 2011, with special emphasis on the period of the DISCOVERAQ field campaign. In addition to evaluating the model performance at the various scales, the impact of the more frequent time coupling of the CTM and meteorology, aerosol feedback effects and lightning generated NO at the finer spatial resolutions will be assessed. The effect of simulating sub-grid clouds using several different options (i.e. explicit, parameterized or assimilated) will also be examined, since clouds are particularly important as they can have a large impact on both the meteorology (beyond the clouds themselves) and air quality, and are notoriously difficult to simulate accurately.

  15. A global coupling index of multivariate neural series with application to the evaluation of mild cognitive impairment.

    Science.gov (United States)

    Wen, Dong; Xue, Qing; Lu, Chengbiao; Guan, Xinyong; Wang, Yuping; Li, Xiaoli

    2014-08-01

    Recently, the synchronization between neural signals has been widely used as a key indicator of brain function. To understand comprehensively the effect of synchronization on the brain function, accurate computation of the synchronization strength among multivariate neural series from the whole brain is necessary. In this study, we proposed a method named global coupling index (GCI) to estimate the synchronization strength of multiple neural signals. First of all, performance of the GCI method was evaluated by analyzing simulated EEG signals from a multi-channel neural mass model, including the effects of the frequency band, the coupling coefficient, and the signal noise ratio. Then, the GCI method was applied to analyze the EEG signals from 12 mild cognitive impairment (MCI) subjects and 12 normal controls (NC). The results showed that GCI method had two major advantages over the global synchronization index (GSI) or S-estimator. Firstly, simulation data showed that the GCI method provided both a more robust result on the frequency band and a better performance on the coupling coefficients. Secondly, the actual EEG data demonstrated that GCI method was more sensitive in differentiating the MCI from control subjects, in terms of the global synchronization strength of neural series of specific alpha, beta1 and beta2 frequency bands. Hence, it is suggested that GCI is a better method over GSI and S-estimator to estimate the synchronization strength of multivariate neural series for predicting the MCI from the whole brain EEG recordings. Copyright © 2014. Published by Elsevier Ltd.

  16. Geometrical modification transfer between specific meshes of each coupled physical codes. Application to the Jules Horowitz research reactor experimental devices

    International Nuclear Information System (INIS)

    Duplex, B.

    2011-01-01

    The CEA develops and uses scientific software, called physical codes, in various physical disciplines to optimize installation and experimentation costs. During a study, several physical phenomena interact, so a code coupling and some data exchanges between different physical codes are required. Each physical code computes on a particular geometry, usually represented by a mesh composed of thousands to millions of elements. This PhD Thesis focuses on the geometrical modification transfer between specific meshes of each coupled physical code. First, it presents a physical code coupling method where deformations are computed by one of these codes. Next, it discusses the establishment of a model, common to different physical codes, grouping all the shared data. Finally, it covers the deformation transfers between meshes of the same geometry or adjacent geometries. Geometrical modifications are discrete data because they are based on a mesh. In order to permit every code to access deformations and to transfer them, a continuous representation is computed. Two functions are developed, one with a global support, and the other with a local support. Both functions combine a simplification method and a radial basis function network. A whole use case is dedicated to the Jules Horowitz reactor. The effect of differential dilatations on experimental device cooling is studied. (author) [fr

  17. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    Energy Technology Data Exchange (ETDEWEB)

    Mai, Sebastian; Marquetand, Philipp; González, Leticia [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Müller, Thomas, E-mail: th.mueller@fz-juelich.de [Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425 Jülich (Germany); Plasser, Felix [Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany); Lischka, Hans [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061 (United States)

    2014-08-21

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.

  18. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    International Nuclear Information System (INIS)

    Mai, Sebastian; Marquetand, Philipp; González, Leticia; Müller, Thomas; Plasser, Felix; Lischka, Hans

    2014-01-01

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations

  19. Application of novel catalytic-ceramic-filler in a coupled system for long-chain dicarboxylic acids manufacturing wastewater treatment.

    Science.gov (United States)

    Wu, Suqing; Qi, Yuanfeng; Fan, Chunzhen; He, Shengbing; Dai, Bibo; Huang, Jungchen; Zhou, Weili; Gao, Lei

    2016-02-01

    To gain systematic technology for long-chain dicarboxylic acids (LDCA) manufacturing wastewater treatment, catalytic micro-electrolysis (CME) coupling with adsorption-biodegradation sludge (AB) process was studied. Firstly, novel catalytic-ceramic-filler was prepared from scrap iron, clay and copper sulfate solution and packed in the CME reactor. To remove residual n-alkane and LDCA, the CME reactor was utilized for LDCA wastewater pretreatment. The results revealed that about 94% of n-alkane, 98% of LDCA and 84% of chemical oxygen demand (COD) were removed by the aerated CME reactor at the optimum hydraulic retention time (HRT) of 3.0 h. In this process, catalysis from Cu and montmorillonites played an important role in improving the contaminants removal. Secondly, to remove residual COD in the wastewater, AB process was designed for the secondary biological treatment, about 90% of the influent COD could be removed by biosorption, bio-flocculation and biodegradation effects. Finally, the effluent COD (about 150 mg L(-1)) discharged from the coupled CME-AB system met the requirement of the national discharged standard (COD ≤ 300 mg L(-1)). All of these results suggest that the coupled CME-AB system is a promising technology due to its high-efficient performance, and has the potential to be applied for the real LDCA wastewater treatment. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Development of sub-channel/system coupled code and its application to a supercritical water-cooled test loop

    International Nuclear Information System (INIS)

    Liu, X.J.; Yang, T.; Cheng, X.

    2014-01-01

    To analyze the local thermal-hydraulic parameters in the supercritical water reactor-fuel qualification test (SCWR-FQT) fuel bundle with a flow blockage, a coupled sub-channel and system code system is developed in this paper. Both of the sub-channel code and system code are adapted to transient analysis of SCWR. Two codes are coupled by data transfer and data adaptation at the interface. In the coupled code, the whole system behavior including safety system characteristic is analyzed by system code ATHLET-SC, whereas the local thermal-hydraulic parameters are predicted by the sub-channel code COBRA-SC. Sensitivity analysis are carried out respectively in ATHLET-SC and COBRA-SC code, to identify the appropriate models for description of the flow blockage phenomenon in the test loop. Some measures to mitigate the accident consequence are also trialed to demonstrate their effectiveness. The results indicate that the new developed code has good feasibility to transient analysis of supercritical water-cooled test. And the peak cladding temperature caused by blockage in the fuel assembly can be reduced effectively by the safety measures of SCWR-FQT. (author)

  1. Numerical simulation of a nonlinear coupled fluid-structure problem. Application to the design of naval nuclear propulsion structures; Modelisation et simulation numerique d'un probleme couple fluide/structure non lineaire: application au dimensionnement de structures nucleaires de propulsion navale

    Energy Technology Data Exchange (ETDEWEB)

    Sigrist, J.F

    2004-11-15

    application of the finite element coupling techniques is exposed. A modal analysis is performed on a simplified model of a nuclear reactor; this example highlights the importance of fluid/structure effects in the industrial case. (author)

  2. Development of a diffuse element matrix in 'planar' technology. A particular application: logical gate with coupled emitter; Etude et realisation d'une matrice d'elements diffuses selon la technologie 'planar'. Application particuliere: porte logique a emetteurs couples

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, P [Commissariat a l' Energie Atomique, 38 - Grenoble (France). Centre d' Etudes Nucleaires

    1967-06-01

    In a first part, after a brief recall concerning 'planar' technology we discuss the various parasitic elements associated with integrated circuits components. Mathematical formulae of these elements are derived. In a second part, we present a matrix of 22 transistors and 12 resistors which has been realized. This matrix enables the integration of the major part of nuclear circuits. Some of the obtained circuits are shown, particularly an emitter coupled logic gate which presents good electrical behaviour. (author) [French] Dans uns premiere partie, apres un bref rappel de la technologie 'planar' nous etudions les divers elements parasites associes a tout composant d'un circuit integre. Un developpement sommaire des expressions mathematiques de ces elements est propose. Dans une seconde partie nous presentons la matrice de 22 transistors et 12 resistances que nous avons realisee. Cette matrice repond aux principaux besoins de l'electronique nucleaire. Nous proposons ensuite quelques exemples de circuits realises a partir de cette matrice dont notamment une porte logique a emetteurs couples de performances tres interessantes. (auteur)

  3. A New MRI-Based Model of Heart Function with Coupled Hemodynamics and Application to Normal and Diseased Canine Left Ventricles

    Science.gov (United States)

    Choi, Young Joon; Constantino, Jason; Vedula, Vijay; Trayanova, Natalia; Mittal, Rajat

    2015-01-01

    A methodology for the simulation of heart function that combines an MRI-based model of cardiac electromechanics (CE) with a Navier–Stokes-based hemodynamics model is presented. The CE model consists of two coupled components that simulate the electrical and the mechanical functions of the heart. Accurate representations of ventricular geometry and fiber orientations are constructed from the structural magnetic resonance and the diffusion tensor MR images, respectively. The deformation of the ventricle obtained from the electromechanical model serves as input to the hemodynamics model in this one-way coupled approach via imposed kinematic wall velocity boundary conditions and at the same time, governs the blood flow into and out of the ventricular volume. The time-dependent endocardial surfaces are registered using a diffeomorphic mapping algorithm, while the intraventricular blood flow patterns are simulated using a sharp-interface immersed boundary method-based flow solver. The utility of the combined heart-function model is demonstrated by comparing the hemodynamic characteristics of a normal canine heart beating in sinus rhythm against that of the dyssynchronously beating failing heart. We also discuss the potential of coupled CE and hemodynamics models for various clinical applications. PMID:26442254

  4. A Compact Multiple Notched Ultra-Wide Band Antenna with an Analysis of the CSRR-TO-CSRR Coupling for Portable UWB Applications.

    Science.gov (United States)

    Rahman, MuhibUr; Ko, Dong-Sik; Park, Jung-Dong

    2017-09-25

    We present a compact ultra-wideband (UWB) antenna integrated with sharp notches with a detailed analysis of the mutual coupling of the multiple notch resonators. By utilizing complementary split ring resonators (CSRR) on the radiating semi-circular patch, we achieve the sharp notch-filtering of various bands within the UWB band without increasing the antenna size. The notched frequency bands include WiMAX, INSAT, and lower and upper WLAN. In order to estimate the frequency shifts of the notch due to the coupling of the nearby CSRRs, an analysis of the coupling among the multiple notch resonators is carried out and we construct the lumped-circuit equivalent model. The time domain analysis of the proposed antenna is performed to show its validity on the UWB application. The measured frequency response of the input port corresponds quite well with the calculations and simulations. The radiation pattern of the implemented quad-notched UWB antenna is nearly omnidirectional in the passband.

  5. Coupled Flow and Geomechanics Modeling of Slow Earthquakes: Application to Slow Slip Events (SSE) in the Guerrero Gap, Mexico

    Science.gov (United States)

    Alves da Silva Junior, J.; Frank, W.; Castineira, D.; Jha, B.; Juanes, R.

    2016-12-01

    Three major cycles of slow slip events (SSE) have been reported since the early 2000s in the Guerrero gap, Mexico, on the boundary between the Cocos and North American plates. Analysis of teleseismic waveforms recorded on a dense temporary seismic network in the Guerrero gap have found low S-wave velocity and high Vp/Vs ratios at the depths corresponding to the sources of SSE, implying the possible presence of fluids and thus an active dewatering process that may result in near-lithostatic pore pressure at the plate interface. Here we use coupled flow and geomechanics analysis of the Guerrero gap to model transient changes in the stress field in the subduction zone as a result of pore pressure fluctuations and potential fluid flow along the subduction interface. Our computational modeling approach couples a multiphase flow simulator with a mechanical simulator using the unconditionally stable fixed stress scheme for the sequential solution of the two-way coupling between flow and geomechanics (Jha and Juanes, 2014). We assume quasi-static mechanical deformation and neglect the inertial term in the solid momentum balance equation—an approximation that is valid to model SSE assuming aseismic slip. We represent the subducting Cocos fault as a surface embedded in a three-dimensional medium, and use zero thickness interface elements to accurately model stick-slip behavior under dynamically evolving fluid pressure and fault strength. We employ the rate- and state-dependent friction model in the evolution of the coefficient of friction. We calibrate our model using two distinct datasets—GPS data and tremor catalogs in the area of Guerrero gap—and by separately constraining the rate of water production from a model of mineral hydration with depth. Our quantitative modeling approach furnishes a mechanistic understanding of the relationship between pore pressure evolution, stress transfer and tremor migration, and helps elucidate the origin of SSE in this area.

  6. Convergence of numerical schemes suitable for two dimensional nonlinear convection: application to the coupling of modes in a plasma

    International Nuclear Information System (INIS)

    Boukadida, T.

    1988-01-01

    The compatibility between accuracy and stability of the quasilinear equations is studied. Three stuations are analyzed: the discontinuous P-1 approximation of the first order quasilinear equation, the two dimensional version of the Lax-Friedrichs scheme and the coupling of modes in a plasma. For the one dimensional case, the proposed scheme matches the available data. In the two dimensional case, tests to show the explosion condition are performed. This investigation can be applied in laser-matter interactions, nonlinear optics and in many fields of physics [fr

  7. Development of a coupled neutronic/thermal-hydraulic tool with multi-scale capabilities and applications to HPLWR core analysis

    International Nuclear Information System (INIS)

    Monti, Lanfranco; Starflinger, Joerg; Schulenberg, Thomas

    2011-01-01

    Highlights: → Advanced analysis and design techniques for innovative reactors are addressed. → Detailed investigation of a 3 pass core design with a multi-physics-scales tool. → Coupled 40-group neutron transport/equivalent channels TH core analyses methods. → Multi-scale capabilities: from equivalent channels to sub-channel pin-by-pin study. → High fidelity approach: reduction of conservatism involved in core simulations. - Abstract: The High Performance Light Water Reactor (HPLWR) is a thermal spectrum nuclear reactor cooled and moderated with light water operated at supercritical pressure. It is an innovative reactor concept, which requires developing and applying advanced analysis tools as described in the paper. The relevant water density reduction associated with the heat-up, together with the multi-pass core design, results in a pronounced coupling between neutronic and thermal-hydraulic analyses, which takes into account the strong natural influence of the in-core distribution of power generation and water properties. The neutron flux gradients within the multi-pass core, together with the pronounced dependence of water properties on the temperature, require to consider a fine spatial resolution in which the individual fuel pins are resolved to provide precise evaluation of the clad temperature, currently considered as one of the crucial design criteria. These goals have been achieved considering an advanced analysis method based on the usage of existing codes which have been coupled with developed interfaces. Initially neutronic and thermal-hydraulic full core calculations have been iterated until a consistent solution is found to determine the steady state full power condition of the HPLWR core. Results of few group neutronic analyses might be less reliable in case of HPLWR 3-pass core than for conventional LWRs because of considerable changes of the neutron spectrum within the core, hence 40 groups transport theory has been preferred to the

  8. Glycosyl Cross-Coupling of Anomeric Nucleophiles: Scope, Mechanism, and Applications in the Synthesis of Aryl C-Glycosides.

    Science.gov (United States)

    Zhu, Feng; Rodriguez, Jacob; Yang, Tianyi; Kevlishvili, Ilia; Miller, Eric; Yi, Duk; O'Neill, Sloane; Rourke, Michael J; Liu, Peng; Walczak, Maciej A

    2017-12-13

    Stereoselective manipulations at the C1 anomeric position of saccharides are one of the central goals of preparative carbohydrate chemistry. Historically, the majority of reactions forming a bond with anomeric carbon has focused on reactions of nucleophiles with saccharide donors equipped with a leaving group. Here, we describe a novel approach to stereoselective synthesis of C-aryl glycosides capitalizing on the highly stereospecific reaction of anomeric nucleophiles. First, methods for the preparation of anomeric stannanes have been developed and optimized to afford both anomers of common saccharides in high anomeric selectivities. We established that oligosaccharide stannanes could be prepared from monosaccharide stannanes via O-glycosylation with Schmidt-type donors, glycal epoxides, or under dehydrative conditions with C1 alcohols. Second, we identified a general set of catalytic conditions with Pd 2 (dba) 3 (2.5 mol%) and a bulky ligand (JackiePhos, 10 mol%) controlling the β-elimination pathway. We demonstrated that the glycosyl cross-coupling resulted in consistently high anomeric selectivities for both anomers with mono- and oligosaccharides, deoxysugars, saccharides with free hydroxyl groups, pyranose, and furanose substrates. The versatility of the glycosyl cross-coupling reaction was probed in the total synthesis of salmochelins (siderophores) and commercial anti-diabetic drugs (gliflozins). Combined experimental and computational studies revealed that the β-elimination pathway is suppressed for biphenyl-type ligands due to the shielding of Pd(II) by sterically demanding JackiePhos, whereas smaller ligands, which allow for the formation of a Pd-F complex, predominantly result in a glycal product. Similar steric effects account for the diminished rates of cross-couplings of 1,2-cis C1-stannanes with aryl halides. DFT calculations also revealed that the transmetalation occurs via a cyclic transition state with retention of configuration at the anomeric

  9. Coupling of climate models and ice sheet models by surface mass balance gradients: application to the Greenland Ice Sheet

    Directory of Open Access Journals (Sweden)

    M. M. Helsen

    2012-03-01

    Full Text Available It is notoriously difficult to couple surface mass balance (SMB results from climate models to the changing geometry of an ice sheet model. This problem is traditionally avoided by using only accumulation from a climate model, and parameterizing the meltwater run-off as a function of temperature, which is often related to surface elevation (Hs. In this study, we propose a new strategy to calculate SMB, to allow a direct adjustment of SMB to a change in ice sheet topography and/or a change in climate forcing. This method is based on elevational gradients in the SMB field as computed by a regional climate model. Separate linear relations are derived for ablation and accumulation, using pairs of Hs and SMB within a minimum search radius. The continuously adjusting SMB forcing is consistent with climate model forcing fields, also for initially non-glaciated areas in the peripheral areas of an ice sheet. When applied to an asynchronous coupled ice sheet – climate model setup, this method circumvents traditional temperature lapse rate assumptions. Here we apply it to the Greenland Ice Sheet (GrIS. Experiments using both steady-state forcing and glacial-interglacial forcing result in realistic ice sheet reconstructions.

  10. Neuronal coupling by endogenous electric fields: cable theory and applications to coincidence detector neurons in the auditory brain stem.

    Science.gov (United States)

    Goldwyn, Joshua H; Rinzel, John

    2016-04-01

    The ongoing activity of neurons generates a spatially and time-varying field of extracellular voltage (Ve). This Ve field reflects population-level neural activity, but does it modulate neural dynamics and the function of neural circuits? We provide a cable theory framework to study how a bundle of model neurons generates Ve and how this Ve feeds back and influences membrane potential (Vm). We find that these "ephaptic interactions" are small but not negligible. The model neural population can generate Ve with millivolt-scale amplitude, and this Ve perturbs the Vm of "nearby" cables and effectively increases their electrotonic length. After using passive cable theory to systematically study ephaptic coupling, we explore a test case: the medial superior olive (MSO) in the auditory brain stem. The MSO is a possible locus of ephaptic interactions: sounds evoke large (millivolt scale)Vein vivo in this nucleus. The Ve response is thought to be generated by MSO neurons that perform a known neuronal computation with submillisecond temporal precision (coincidence detection to encode sound source location). Using a biophysically based model of MSO neurons, we find millivolt-scale ephaptic interactions consistent with the passive cable theory results. These subtle membrane potential perturbations induce changes in spike initiation threshold, spike time synchrony, and time difference sensitivity. These results suggest that ephaptic coupling may influence MSO function. Copyright © 2016 the American Physiological Society.

  11. Application of coupled zero-valent iron/biochar system for degradation of chlorobenzene-contaminated groundwater.

    Science.gov (United States)

    Zhang, Xu; Wu, Yanqing

    2017-02-01

    A novel iron-carbon micro-electrolysis system, bamboo-derived biochar coupled with zero-valent iron (ZVI), was investigated for chlorobenzene (CB)-contaminated groundwater removal. Influences of initial pH value, mass ratio of the ZVI/Biochar, initial CB concentration and ionic strength of the ZVI/Biochar micro-electrolysis were studied. The results indicated that the increase of initial pH led to the decrease of the CB removal efficiency. While the optimum mass ratio of ZVI to biochar was 2:1, the improved initial concentration and reaction time were 33.68 mg/L and 4 h, respectively. When pH of 2, mass ratio of 2:1 and reaction time of 4 h were applied, the CB removal efficiency was 99.92%. Enhanced degradation of CB was observed with increased Cl - concentration. When the Cl - concentration of 1,000 mg/L and reaction time of 1 h were applied, the CB removal efficiency arrived at 98.2%. Additionally, considering that biochar is cost-effective and readily produced, the coupled ZVI/Biochar micro-electrolysis could represent an effective approach for the treatment of groundwater containing chlorinated organic compounds in the future.

  12. The coupling of the Star-Cd software to a whole-core neutron transport code Decart for PWR applications

    International Nuclear Information System (INIS)

    Thomas, J.W.; Lee, H.C.; Downar, T.J.; Sofu, T.; Weber, D.P.; Joo, H.G.; Cho, J.Y.

    2003-01-01

    As part of a U.S.- Korea collaborative U.S. Department of Energy INERI project, a comprehensive high-fidelity reactor-core modeling capability is being developed for detailed analysis of existing and advanced PWR reactor designs. An essential element of the project has been the development of an interface between the computational fluid dynamics (CFD) module, STAR-CD, and the neutronics module, DeCART. Since the computational mesh for CFD and neutronics calculations are generally different, the capability to average and decompose data on these different meshes has been an important part of code coupling activities. An averaging process has been developed to extract neutronics zone temperatures in the fuel and coolant and to generate appropriate multi group cross sections and densities. Similar procedures have also been established to map the power distribution from the neutronics zones to the mesh structure used in the CFD module. Since MPI is used as the parallel model in STAR-CD and conflicts arise during initiation of a second level of MPI, the interface developed here is based on using TCP/IP protocol sockets to establish communication between the CFD and neutronics modules. Preliminary coupled calculations have been performed for PWR fuel assembly size problems and converged solutions have been achieved for a series of steady-state problems ranging from a single pin to a 1/8 model of a 17 x 17 PWR fuel assembly. (authors)

  13. Avoiding bias effects in NMR experiments for heteronuclear dipole-dipole coupling determinations: principles and application to organic semiconductor materials.

    Science.gov (United States)

    Kurz, Ricardo; Cobo, Marcio Fernando; de Azevedo, Eduardo Ribeiro; Sommer, Michael; Wicklein, André; Thelakkat, Mukundan; Hempel, Günter; Saalwächter, Kay

    2013-09-16

    Carbon-proton dipole-dipole couplings between bonded atoms represent a popular probe of molecular dynamics in soft materials or biomolecules. Their site-resolved determination, for example, by using the popular DIPSHIFT experiment, can be challenged by spectral overlap with nonbonded carbon atoms. The problem can be solved by using very short cross-polarization (CP) contact times, however, the measured modulation curves then deviate strongly from the theoretically predicted shape, which is caused by the dependence of the CP efficiency on the orientation of the CH vector, leading to an anisotropic magnetization distribution even for isotropic samples. Herein, we present a detailed demonstration and explanation of this problem, as well as providing a solution. We combine DIPSHIFT experiments with the rotor-directed exchange of orientations (RODEO) method, and modifications of it, to redistribute the magnetization and obtain undistorted modulation curves. Our strategy is general in that it can also be applied to other types of experiments for heteronuclear dipole-dipole coupling determinations that rely on dipolar polarization transfer. It is demonstrated with perylene-bisimide-based organic semiconductor materials, as an example, in which measurements of dynamic order parameters reveal correlations of the molecular dynamics with the phase structure and functional properties. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Online coupling of high-resolution chromatography with extreme UV photon activation tandem mass spectrometry: Application to the structural investigation of complex glycans by dissociative photoionization

    International Nuclear Information System (INIS)

    Ropartz, David; Giuliani, Alexandre; Fanuel, Mathieu; Hervé, Cécile; Czjzek, Mirjam; Rogniaux, Hélène

    2016-01-01

    The activation of ions by extreme-energy photons (XUV) produced by a synchrotron radiation beamline is a powerful method for characterizing complex glycans using tandem mass spectrometry (MS). As previously described, this activation method leads to rich fragmentation spectra with many structurally valuable cross-ring cleavages while maintaining labile modifications on the glycan structures. However, until now, the tandem MS event was too long to be compatible with liquid chromatography elution times. In this work, the duty cycle of the activation and detection of fragments was shortened, and the background signal on the spectra was drastically reduced. Both improvements allowed, for the first time, the successful coupling of a UHPLC system to XUV-activated tandem MS. The approach was used to characterize a complex mixture of oligo-porphyrans, which are a class of highly sulfated oligosaccharides, in a fully automated way. Due to an enhanced dynamic range and an increased sensitivity, some hypothetical structures of low abundance have been unequivocally confirmed in this study and others have been revised. Some previously undescribed species of oligo-porphyrans that exhibit lateral branching have been fully resolved. This work contributes to the scarce knowledge of the structure of porphyrans in red algae and pushes the current capacities of XUV-activation tandem MS by demonstrating the possibility of a direct coupling with UHPLC. This study will considerably broaden the applicability and practicality of this method in many fields of analytical biology. - Highlights: • For the first time, XUV photon activation tandem MS was coupled to UHPLC. • The approach was used to characterize a complex mixture of biomolecules. • The MSMS duty cycle was compatible with elution times of UHPLC without compromised. • Minor species were characterized with an enhanced sensitivity and dynamic range. • These results broaden the application of the technique in many field of

  15. Online coupling of high-resolution chromatography with extreme UV photon activation tandem mass spectrometry: Application to the structural investigation of complex glycans by dissociative photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Ropartz, David, E-mail: David.Ropartz@nantes.inra.fr [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France); Giuliani, Alexandre [Synchrotron SOLEIL, L' Orme des Merisiers, F-91190 Gif-sur-Yvette (France); UAR 1008 CEPIA, INRA, F-44316 Nantes (France); Fanuel, Mathieu [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France); Hervé, Cécile; Czjzek, Mirjam [Sorbonne Universités, Université Pierre et Marie Curie, Paris VI, CNRS, Integrative Biology of Marine Models, UMR 8227, Station Biologique, Place George Teissier, F29688 Roscoff Cedex (France); Rogniaux, Hélène [INRA, UR1268 Biopolymers Interactions Assemblies F-44316 Nantes (France)

    2016-08-24

    The activation of ions by extreme-energy photons (XUV) produced by a synchrotron radiation beamline is a powerful method for characterizing complex glycans using tandem mass spectrometry (MS). As previously described, this activation method leads to rich fragmentation spectra with many structurally valuable cross-ring cleavages while maintaining labile modifications on the glycan structures. However, until now, the tandem MS event was too long to be compatible with liquid chromatography elution times. In this work, the duty cycle of the activation and detection of fragments was shortened, and the background signal on the spectra was drastically reduced. Both improvements allowed, for the first time, the successful coupling of a UHPLC system to XUV-activated tandem MS. The approach was used to characterize a complex mixture of oligo-porphyrans, which are a class of highly sulfated oligosaccharides, in a fully automated way. Due to an enhanced dynamic range and an increased sensitivity, some hypothetical structures of low abundance have been unequivocally confirmed in this study and others have been revised. Some previously undescribed species of oligo-porphyrans that exhibit lateral branching have been fully resolved. This work contributes to the scarce knowledge of the structure of porphyrans in red algae and pushes the current capacities of XUV-activation tandem MS by demonstrating the possibility of a direct coupling with UHPLC. This study will considerably broaden the applicability and practicality of this method in many fields of analytical biology. - Highlights: • For the first time, XUV photon activation tandem MS was coupled to UHPLC. • The approach was used to characterize a complex mixture of biomolecules. • The MSMS duty cycle was compatible with elution times of UHPLC without compromised. • Minor species were characterized with an enhanced sensitivity and dynamic range. • These results broaden the application of the technique in many field of

  16. Application of a Reduced Order Kalman Filter to Initialize a Coupled Atmosphere-Ocean Model: Impact on the Prediction of El Nino

    Science.gov (United States)

    Ballabrera-Poy, Joaquim; Busalacchi, Antonio J.; Murtugudde, Ragu

    2000-01-01

    A reduced order Kalman Filter, based on a simplification of the Singular Evolutive Extended Kalman (SEEK) filter equations, is used to assimilate observed fields of the surface wind stress, sea surface temperature and sea level into the nonlinear coupled ocean-atmosphere model. The SEEK filter projects the Kalman Filter equations onto a subspace defined by the eigenvalue decomposition of the error forecast matrix, allowing its application to high dimensional systems. The Zebiak and Cane model couples a linear reduced gravity ocean model with a single vertical mode atmospheric model of Zebiak. The compatibility between the simplified physics of the model and each observed variable is studied separately and together. The results show the ability of the model to represent the simultaneous value of the wind stress, SST and sea level, when the fields are limited to the latitude band 10 deg S - 10 deg N. In this first application of the Kalman Filter to a coupled ocean-atmosphere prediction model, the sea level fields are assimilated in terms of the Kelvin and Rossby modes of the thermocline depth anomaly. An estimation of the error of these modes is derived from the projection of an estimation of the sea level error over such modes. This method gives a value of 12 for the error of the Kelvin amplitude, and 6 m of error for the Rossby component of the thermocline depth. The ability of the method to reconstruct the state of the equatorial Pacific and predict its time evolution is demonstrated. The method is shown to be quite robust for predictions I up to six months, and able to predict the onset of the 1997 warm event fifteen months before its occurrence.

  17. Environmental application of elemental speciation analysis based on liquid or gas chromatography hyphenated to inductively coupled plasma mass spectrometry-A review

    International Nuclear Information System (INIS)

    Popp, Maximilian; Hann, Stephan; Koellensperger, Gunda

    2010-01-01

    In recent years the number of environmental applications of elemental speciation analysis using inductively coupled plasma mass spectrometry (ICP-MS) as detector has increased significantly. The analytical characteristics, such as extremely low detection limits (LOD) for almost all elements, the wide linear range, the possibility for multi-elemental analysis and the possibility to apply isotope dilution mass spectrometry (IDMS) make ICP-MS an attractive tool for elemental speciation analysis. Two methodological approaches, i.e. the combination of ICP-MS with high performance liquid chromatography (HPLC) and gas chromatography (GC), dominate the field. Besides the investigation of metals and metalloids and their species (e.g. Sn, Hg, As), representing 'classic' elements in environmental science, more recently other elements (e.g. P, S, Br, I) amenable to ICP-MS determination were addressed. In addition, the introduction of isotope dilution analysis and the development of isotopically labeled species-specific standards have contributed to the success of ICP-MS in the field. The aim of this review is to summarize these developments and to highlight recent trends in the environmental application of ICP-MS coupled to GC and HPLC.

  18. Development and Applications of a General Coupled Thermal-hydraulic/Neutronic Model for the Ringhals-3 Pressurized Water Reactor

    International Nuclear Information System (INIS)

    Staalek, Mathias

    2008-03-01

    Coupled calculations are important for the simulation of nuclear power plants when there is a strong feedback between the neutron kinetics and the thermal-hydraulics. A general coupled model of the Ringhals-3 Pressurized Water Reactor has been developed for this purpose. The development is outlined in the thesis with details given in the appended papers. A PARCS model was developed for the core calculations and a RELAP5 model for the thermal-hydraulic calculations. The RELAP5 model has 157 channels for modelling the flow in the fuel assemblies. This means that there is a one-one correspondence radially between the neutronic and thermal-hydraulic nodalization. This detailed mapping between the neutron kinetics and the thermal-hydraulics makes it possible to use the model for all kinds of transient. To provide realistic material data to the PARCS model, a cross-section interface was developed. With this interface one can import material data from a binary CASMO-4 library file into PARCS. Due to the one-to-one mapping, any any core loading can easily be considered. The PARCS model was benchmarked against measurements of the steady-state power distribution of Ringhals-3. The power shape was well reproduced by the model. Validational work for steady-state conditions of the thermal-hydraulic was also successfully performed. The most challenging part of the validation of a coupled model is for transients. This is much more difficult since the dynamics of the system becomes very important. Two transients that occurred at Ringhals-3 were chosen for the validational work. The first transient was a Load Rejection Transient. In general the model gave good results but some problems were experienced, e.g. the pressurizer pressure turned out to be more difficult to be correctly simulated. The second transient was a Loss of Feed Water transient. A malfunctioning feed water control valve closed, and therefore shut down the feed water supply to the steam generator in one of the

  19. Development and Applications of a General Coupled Thermal-hydraulic/Neutronic Model for the Ringhals-3 Pressurized Water Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Staalek, Mathias

    2008-03-15

    Coupled calculations are important for the simulation of nuclear power plants when there is a strong feedback between the neutron kinetics and the thermal-hydraulics. A general coupled model of the Ringhals-3 Pressurized Water Reactor has been developed for this purpose. The development is outlined in the thesis with details given in the appended papers. A PARCS model was developed for the core calculations and a RELAP5 model for the thermal-hydraulic calculations. The RELAP5 model has 157 channels for modelling the flow in the fuel assemblies. This means that there is a one-one correspondence radially between the neutronic and thermal-hydraulic nodalization. This detailed mapping between the neutron kinetics and the thermal-hydraulics makes it possible to use the model for all kinds of transient. To provide realistic material data to the PARCS model, a cross-section interface was developed. With this interface one can import material data from a binary CASMO-4 library file into PARCS. Due to the one-to-one mapping, any any core loading can easily be considered. The PARCS model was benchmarked against measurements of the steady-state power distribution of Ringhals-3. The power shape was well reproduced by the model. Validational work for steady-state conditions of the thermal-hydraulic was also successfully performed. The most challenging part of the validation of a coupled model is for transients. This is much more difficult since the dynamics of the system becomes very important. Two transients that occurred at Ringhals-3 were chosen for the validational work. The first transient was a Load Rejection Transient. In general the model gave good results but some problems were experienced, e.g. the pressurizer pressure turned out to be more difficult to be correctly simulated. The second transient was a Loss of Feed Water transient. A malfunctioning feed water control valve closed, and therefore shut down the feed water supply to the steam generator in one of the

  20. Renormalization group summation, spectrality constraints, and coupling constant analyticity for phenomenological applications of two-point correlators in QCD

    International Nuclear Information System (INIS)

    Pivovarov, A.A.

    2003-01-01

    The analytic structure in the strong coupling constant that emerges for some observables in QCD after duality averaging of renormalization-group-improved amplitudes is discussed, and the validity of the infrared renormalon hypothesis for the determination of this structure is critically reexamined. A consistent description of peculiar features of perturbation theory series related to hypothetical infrared renormalons and corresponding power corrections is considered. It is shown that perturbation theory series for the spectral moments of two-point correlators of hadronic currents in QCD can explicitly be summed in all orders using the definition of the moments that avoids integration through the infrared region in momentum space. Such a definition of the moments relies on the analytic properties of two-point correlators in the momentum variable that allows for shifting the integration contour into the complex plane of the momentum. For definiteness, an explicit case of gluonic current correlators is discussed in detail

  1. Carbon-enhanced inductively coupled plasma mass spectrometric detection of arsenic and selenium and its application to arsenic speciation

    DEFF Research Database (Denmark)

    Larsen, Erik Huusfeldt; Sturup, Stefan

    1994-01-01

    Addition of carbon as methanol or ammonium carbonate to the aqueous analyte solutions in combination with increased plasma power input enhanced the inductively coupled plasma mass spectrometry (ICP-MS) signal intensities of arsenic and selenium. In the presence of the optimum 3% v/v methanol...... (noise) was not increased. Therefore, the observed increase in analyte sensitivity led to a similar increase in signal-to-noise ratio. The addition of carbon as ammonium carbonate enhanced the arsenic signal by a similar factor but caused severe contamination of the ICP-MS instrument by carbon. In the 3....../nebulization efficiency. It is proposed that an increased population of carbon ions or carbon-containing ions in the plasma facilitates a more complete ionization of analytes lower in ionization energy than carbon itself. The enhanced detection power for arsenic was applied to arsenic speciation by high...

  2. An electrochemical procedure coupled with a Schiff base method; application to electroorganic synthesis of new nitrogen-containing heterocycles

    International Nuclear Information System (INIS)

    Dowlati, Bahram; Othman, Mohamed Rozali

    2013-01-01

    The synthesis of Nitrogen-containing heterocycles has been achieved using chemical and electrochemical methods, respectively. The direct chemical synthesis of nucleophiles proceeds through the Schiff base chemical reaction. This procedure offers an alternate reaction between dicarbonyl compounds and diamines leads to the formation of products. The results indicate that the Schiff base chemical method for synthesis of the product has successfully performed in excellent overall yield. In the electrochemical step, a series of Nitrogen-containing compounds were electrosynthesized. Various parameters such as the applied potential, pH of the electrolytic solution, cell configuration and also purification techniques, were carried out to optimize the yields of corresponding products. New Nitrogen-containing heterocycle derivatives were synthesized using an electrochemical procedure coupled with a Schiff base as a facile, efficient and practical method. The products have been characterized after purification by IR, 1 H NMR, 13 C NMR and ESI-MS 2

  3. Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions

    Energy Technology Data Exchange (ETDEWEB)

    Azar, Richard Julian, E-mail: julianazar2323@berkeley.edu; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-05-28

    Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidation of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.

  4. Channel-coupling theory of covalent bonding in H2: A further application of arrangement-channel quantum mechanics

    International Nuclear Information System (INIS)

    Levin, F.S.; Krueger, H.

    1977-01-01

    The dissociation energy D/sub e/ and the equilibrium proton-proton separation R/sub eq/ of H 2 are calculated using the methods of arrangement-channel quantum mechanics. This theory is the channel component version of the channel-coupling array approach to many-body scattering, applied to bound-state problems. In the approximation used herein, the wave function is identical to that of the classic Heitler-London-Sugiura valence-bond calculation, which gave D/sub e/ = 3.14 eV and R/sub eq/ = 1.65a 0 , values accurate to 34% and 17.8%, respectively. The present method yields D/sub e/ = 4.437 eV and R/sub eq/ approx. = 1.42a 0 , accurate to 6.5% and 1%, respectively. Some implications of these results are discussed

  5. Resonant mode for a dc plasma spray torch by means of pressure–voltage coupling: application to synchronized liquid injection

    International Nuclear Information System (INIS)

    Krowka, J; Rat, V; Coudert, J F

    2013-01-01

    Electric arc instabilities in dc plasma torches result in non-homogeneous treatment of nanosized solid particles injected into the plasma jets. In the particular case of suspension plasma spraying, large discrepancies in the particles trajectories and thermal histories make the control of coating properties more difficult to achieve. In this paper, a new approach of arc dynamics highlights the existence of different resonant modes and the possibility of their coupling. This study leads us to design a special plasma torch working in a very regular pulsed regime. Then, an innovative injection system based on the drop-on-demand method synchronized with the plasma oscillations is presented as an efficient method to control the dynamics of plasma/particles interactions. (paper)

  6. Coupled optic-thermodynamic analysis of a novel wireless power transfer system using concentrated sunlight for space applications

    International Nuclear Information System (INIS)

    Zhong, Ming-Liang; Li, Yun-Ze; Mao, Yu-Feng; Liang, Yi-Hao; Liu, Jia

    2017-01-01

    Highlights: • A novel space wireless power transfer system is proposed. • Concentrated sunlight is used as the medium to avoid multiple conversions. • Fresnel lens and optical fiber bundle make the system compact and space-qualified. • Coupled optic-thermodynamic model is developed to analyze link efficiencies. • End-to-end efficiency achieved is as twice as that of microwave or laser system. - Abstract: The energy generation and supply for in-orbit spacecraft have become an urgent problem concerning efficient and economical utilization of spacecraft formation flying. To fill the gap between the requirement of inter-spacecraft energy transfer and the development of wireless power transfer, this paper presents a novel wireless power transfer system whose transmission medium is concentrated sunlight. The system concentrates sunlight using a Fresnel lens, and changes the direction of concentrated sunlight beam with optical fibers. The light energy is converted to thermal form by a heat collector, and then it is utilized to generate electricity by a Stirling engine integrated with linear alternator. Equipments employed on fractionated spacecraft shall be supported by this electric energy. A coupled optic-thermodynamic model was developed to analyze system link efficiencies. This system offers characteristics such as high flexibility, relatively low cost for launch and maintenance, and most importantly, high end-to-end efficiency. Simulation results show that the geometric concentration ratio and the temperature ratio of expansion and compression spaces are two key parameters of this system. Output power of 234.3 W was achieved on the distance of 100 m, and the end-to-end efficiency of the system was above 20%.

  7. An adaptive least-squares global sensitivity method and application to a plasma-coupled combustion prediction with parametric correlation

    Science.gov (United States)

    Tang, Kunkun; Massa, Luca; Wang, Jonathan; Freund, Jonathan B.

    2018-05-01

    We introduce an efficient non-intrusive surrogate-based methodology for global sensitivity analysis and uncertainty quantification. Modified covariance-based sensitivity indices (mCov-SI) are defined for outputs that reflect correlated effects. The overall approach is applied to simulations of a complex plasma-coupled combustion system with disparate uncertain parameters in sub-models for chemical kinetics and a laser-induced breakdown ignition seed. The surrogate is based on an Analysis of Variance (ANOVA) expansion, such as widely used in statistics, with orthogonal polynomials representing the ANOVA subspaces and a polynomial dimensional decomposition (PDD) representing its multi-dimensional components. The coefficients of the PDD expansion are obtained using a least-squares regression, which both avoids the direct computation of high-dimensional integrals and affords an attractive flexibility in choosing sampling points. This facilitates importance sampling using a Bayesian calibrated posterior distribution, which is fast and thus particularly advantageous in common practical cases, such as our large-scale demonstration, for which the asymptotic convergence properties of polynomial expansions cannot be realized due to computation expense. Effort, instead, is focused on efficient finite-resolution sampling. Standard covariance-based sensitivity indices (Cov-SI) are employed to account for correlation of the uncertain parameters. Magnitude of Cov-SI is unfortunately unbounded, which can produce extremely large indices that limit their utility. Alternatively, mCov-SI are then proposed in order to bound this magnitude ∈ [ 0 , 1 ]. The polynomial expansion is coupled with an adaptive ANOVA strategy to provide an accurate surrogate as the union of several low-dimensional spaces, avoiding the typical computational cost of a high-dimensional expansion. It is also adaptively simplified according to the relative contribution of the different polynomials to the total

  8. Modeling of coupled heat transfer and reactive transport processes in porous media: Application to seepage studies at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas

    2007-01-01

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However

  9. Modeling of coupled heat transfer and reactive transport processes in porous media: Application to seepage studies at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Mukhopadhyay, S.; Sonnenthal, E.L.; Spycher, N.

    2007-01-01

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO 2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However

  10. Axisymmetric alternating direction explicit scheme for efficient coupled simulation of hydro-mechanical interaction in geotechnical engineering—Application to circular footing and deep tunnel in saturated ground

    Directory of Open Access Journals (Sweden)

    Simon Heru Prassetyo

    2018-04-01

    Full Text Available Explicit solution techniques have been widely used in geotechnical engineering for simulating the coupled hydro-mechanical (H-M interaction of fluid flow and deformation induced by structures built above and under saturated ground, i.e. circular footing and deep tunnel. However, the technique is only conditionally stable and requires small time steps, portending its inefficiency for simulating large-scale H-M problems. To improve its efficiency, the unconditionally stable alternating direction explicit (ADE scheme could be used to solve the flow problem. The standard ADE scheme, however, is only moderately accurate and is restricted to uniform grids and plane strain flow conditions. This paper aims to remove these drawbacks by developing a novel high-order ADE scheme capable of solving flow problems in non-uniform grids and under axisymmetric conditions. The new scheme is derived by performing a fourth-order finite difference (FD approximation to the spatial derivatives of the axisymmetric fluid–diffusion equation in a non-uniform grid configuration. The implicit Crank-Nicolson technique is then applied to the resulting approximation, and the subsequent equation is split into two alternating direction sweeps, giving rise to a new axisymmetric ADE scheme. The pore pressure solutions from the new scheme are then sequentially coupled with an existing geomechanical simulator in the computer code fast Lagrangian analysis of continua (FLAC. This coupling procedure is called the sequentially-explicit coupling technique based on the fourth-order axisymmetric ADE scheme or SEA-4-AXI. Application of SEA-4-AXI for solving axisymmetric consolidation of a circular footing and of advancing tunnel in deep saturated ground shows that SEA-4-AXI reduces computer runtime up to 42%–50% that of FLAC's basic scheme without numerical instability. In addition, it produces high numerical accuracy of the H-M solutions with average percentage difference of only 0.5%

  11. Effective leaf area index retrieving from terrestrial point cloud data: coupling computational geometry application and Gaussian mixture model clustering

    Science.gov (United States)

    Jin, S.; Tamura, M.; Susaki, J.

    2014-09-01

    Leaf area index (LAI) is one of the most important structural parameters of forestry studies which manifests the ability of the green vegetation interacted with the solar illumination. Classic understanding about LAI is to consider the green canopy as integration of horizontal leaf layers. Since multi-angle remote sensing technique developed, LAI obliged to be deliberated according to the observation geometry. Effective LAI could formulate the leaf-light interaction virtually and precisely. To retrieve the LAI/effective LAI from remotely sensed data therefore becomes a challenge during the past decades. Laser scanning technique can provide accurate surface echoed coordinates with densely scanned intervals. To utilize the density based statistical algorithm for analyzing the voluminous amount of the 3-D points data is one of the subjects of the laser scanning applications. Computational geometry also provides some mature applications for point cloud data (PCD) processing and analysing. In this paper, authors investigated the feasibility of a new application for retrieving the effective LAI of an isolated broad leaf tree. Simplified curvature was calculated for each point in order to remove those non-photosynthetic tissues. Then PCD were discretized into voxel, and clustered by using Gaussian mixture model. Subsequently the area of each cluster was calculated by employing the computational geometry applications. In order to validate our application, we chose an indoor plant to estimate the leaf area, the correlation coefficient between calculation and measurement was 98.28 %. We finally calculated the effective LAI of the tree with 6 × 6 assumed observation directions.

  12. Tuning the ITO work function by capacitively coupled plasma and its application in inverted organic solar cells

    International Nuclear Information System (INIS)

    Fang, Ming; Zhang, Chunmei; Chen, Qiang

    2016-01-01

    Highlights: • The work function of ITO was reduced by plasma treatment. • The reduction of the work function was attributed to the variation in chemical component of ITO surface. • The inverted solar cell without electron transport layer was fabricated using plasma-treated ITO. • Optimal power conversion efficiency of 3.22% was achieved. - Abstract: In this paper, we investigated the performance of inverted organic solar cells (OSCs) with plasma-treated indium tin oxide (ITO) as the cathode for omitting an electron transport layer. The Ar plasma was produced by capcitively coupled plasma setup under 20 Pa chamber pressure. For the device with the structure of plasma-treated ITO/P3HT:PCBM/MoO_3/Ag, a power conversion efficiency (PCE) of 3.22% was achieved, whereas PCE of 1.13% was recorded from the device fabricated with the pristine ITO. The photovoltaic performance was found to be dependent on the applied power of plasma. After analyzing by atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), we concluded that the chemical component variation of ITOs surface resulted in the decrease of ITO work function, which meant that the ITO Fermi level became shallow relative to the vacuum level. The low work function of ITO should be responsible for the improvement of inverted OSCs because of the better energy level alignment between ITO and the photoactive layer.

  13. Scalable implementations of accurate excited-state coupled cluster theories: application of high-level methods to porphyrin based systems

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, Karol; Krishnamoorthy, Sriram; Olson, Ryan M.; Tipparaju, Vinod; Apra, Edoardo

    2011-11-30

    The development of reliable tools for excited-state simulations is emerging as an extremely powerful computational chemistry tool for understanding complex processes in the broad class of light harvesting systems and optoelectronic devices. Over the last years we have been developing equation of motion coupled cluster (EOMCC) methods capable of tackling these problems. In this paper we discuss the parallel performance of EOMCC codes which provide accurate description of the excited-state correlation effects. Two aspects are discuss in details: (1) a new algorithm for the iterative EOMCC methods based on the novel task scheduling algorithms, and (2) parallel algorithms for the non-iterative methods describing the effect of triply excited configurations. We demonstrate that the most computationally intensive non-iterative part can take advantage of 210,000 cores of the Cray XT5 system at OLCF. In particular, we demonstrate the importance of non-iterative many-body methods for achieving experimental level of accuracy for several porphyrin-based system.

  14. Purification of family B G protein-coupled receptors using nanodiscs: Application to human glucagon-like peptide-1 receptor.

    Directory of Open Access Journals (Sweden)

    Yingying Cai

    Full Text Available Family B G protein-coupled receptors (GPCRs play vital roles in hormone-regulated homeostasis. They are drug targets for metabolic diseases, including type 2 diabetes and osteoporosis. Despite their importance, the signaling mechanisms for family B GPCRs at the molecular level remain largely unexplored due to the challenges in purification of functional receptors in sufficient amount for biophysical characterization. Here, we purified the family B GPCR human glucagon-like peptide-1 (GLP-1 receptor (GLP1R, whose agonists, e.g. exendin-4, are used for the treatment of type 2 diabetes mellitus. The receptor was expressed in HEK293S GnTl- cells using our recently developed protocol. The protocol incorporates the receptor into the native-like lipid environment of reconstituted high density lipoprotein (rHDL particles, also known as nanodiscs, immediately after the membrane solubilization step followed by chromatographic purification, minimizing detergent contact with the target receptor to reduce denaturation and prolonging stabilization of receptor in lipid bilayers without extra steps of reconstitution. This method yielded purified GLP1R in nanodiscs that could bind to GLP-1 and exendin-4 and activate Gs protein. This nanodisc purification method can potentially be a general strategy to routinely obtain purified family B GPCRs in the 10s of microgram amounts useful for spectroscopic analysis of receptor functions and activation mechanisms.

  15. Purification of family B G protein-coupled receptors using nanodiscs: Application to human glucagon-like peptide-1 receptor.

    Science.gov (United States)

    Cai, Yingying; Liu, Yuting; Culhane, Kelly J; DeVree, Brian T; Yang, Yang; Sunahara, Roger K; Yan, Elsa C Y

    2017-01-01

    Family B G protein-coupled receptors (GPCRs) play vital roles in hormone-regulated homeostasis. They are drug targets for metabolic diseases, including type 2 diabetes and osteoporosis. Despite their importance, the signaling mechanisms for family B GPCRs at the molecular level remain largely unexplored due to the challenges in purification of functional receptors in sufficient amount for biophysical characterization. Here, we purified the family B GPCR human glucagon-like peptide-1 (GLP-1) receptor (GLP1R), whose agonists, e.g. exendin-4, are used for the treatment of type 2 diabetes mellitus. The receptor was expressed in HEK293S GnTl- cells using our recently developed protocol. The protocol incorporates the receptor into the native-like lipid environment of reconstituted high density lipoprotein (rHDL) particles, also known as nanodiscs, immediately after the membrane solubilization step followed by chromatographic purification, minimizing detergent contact with the target receptor to reduce denaturation and prolonging stabilization of receptor in lipid bilayers without extra steps of reconstitution. This method yielded purified GLP1R in nanodiscs that could bind to GLP-1 and exendin-4 and activate Gs protein. This nanodisc purification method can potentially be a general strategy to routinely obtain purified family B GPCRs in the 10s of microgram amounts useful for spectroscopic analysis of receptor functions and activation mechanisms.

  16. Application of inductively coupled plasma mass spectrometry for multielement analysis in small sample amounts of thyroid tissue from Chernobyl area

    International Nuclear Information System (INIS)

    Becker, J.S.; Dietze, H.J.; Boulyga, S.F.; Bazhanova, N.N.; Kanash, N.V.; Malenchenko, A.F.

    2000-01-01

    As a result of the Chernobyl nuclear power plant accident in 1986, thyroid pathologies occurred among children in some regions of belarus. Besides the irradiation of children's thyroids by radioactive iodine and caesium nuclides, toxic elements from fallout are a direct risk to health. Inductively coupled plasma quadrupole-based mass spectrometry (Icp-Ms) and instrumental neutron activation analysis (IAA) were used for multielement determination in small amounts (I-10 mg) of human thyroid tissue samples. The accuracy of the applied analytical technique for small biological sample amounts was checked using NIST standard reference material oyster tissue (SRM 1566 b). Almost all essential elements as well as a number of toxic elements such as Cd, Pb, Hg, U etc. Were determined in a multitude of human thyroid tissues by quadrupole-based Icp-Ms using micro nebulization. In general, the thyroid tissue affected by pathology is characterized by higher calcium content. Some other elements, among them Sr, Zn, Fe, Mn, V, As, Cr, Ni, Pb, U, Ba, Sb, were also Accumulated in such tissue. The results obtained will be used as initial material for further specific studies of the role of particular elements in thyroid pathology development

  17. Flexible Ag-C60 nano-biosensors based on surface plasmon coupled emission for clinical and forensic applications.

    Science.gov (United States)

    Mulpur, Pradyumna; Yadavilli, Sairam; Mulpur, Praharsha; Kondiparthi, Neeharika; Sengupta, Bishwambhar; Rao, Apparao M; Podila, Ramakrishna; Kamisetti, Venkataramaniah

    2015-10-14

    The relatively low sensitivity of fluorescence detection schemes, which are mainly limited by the isotropic nature of fluorophore emission, can be overcome by utilizing surface plasmon coupled emission (SPCE). In this study, we demonstrate directional emission from fluorophores on flexible Ag-C60 SPCE sensor platforms for point-of-care sensing, in healthcare and forensic sensing scenarios, with at least 10 times higher sensitivity than traditional fluorescence sensing schemes. Adopting the highly sensitive Ag-C60 SPCE platform based on glass and novel low-cost flexible substrates, we report the unambiguous detection of acid-fast Mycobacterium tuberculosis (Mtb) bacteria at densities as low as 20 Mtb mm(-2); from non-acid-fast bacteria (e.g., E. coli and S. aureus), and the specific on-site detection of acid-fast sperm cells in human semen samples. In combination with the directional emission and high-sensitivity of SPCE platforms, we also demonstrate the utility of smartphones that can replace expensive and cumbersome detectors to enable rapid hand-held detection of analytes in resource-limited settings; a much needed critical advance to biosensors, for developing countries.

  18. Analysis and Optimization of Spiral Circular Inductive Coupling Link for Bio-Implanted Applications on Air and within Human Tissue

    Directory of Open Access Journals (Sweden)

    Saad Mutashar

    2014-06-01

    Full Text Available The use of wireless communication using inductive links to transfer data and power to implantable microsystems to stimulate and monitor nerves and muscles is increasing. This paper deals with the development of the theoretical analysis and optimization of an inductive link based on coupling and on spiral circular coil geometry. The coil dimensions offer 22 mm of mutual distance in air. However, at 6 mm of distance, the coils offer a power transmission efficiency of 80% in the optimum case and 73% in the worst case via low input impedance, whereas, transmission efficiency is 45% and 32%, respectively, via high input impedance. The simulations were performed in air and with two types of simulated human biological tissues such as dry and wet-skin using a depth of 6 mm. The performance results expound that the combined magnitude of the electric field components surrounding the external coil is approximately 98% of that in air, and for an internal coil, it is approximately 50%, respectively. It can be seen that the gain surrounding coils is almost constant and confirms the omnidirectional pattern associated with such loop antennas which reduces the effect of non-alignment between the two coils. The results also show that the specific absorption rate (SAR and power loss within the tissue are lower than that of the standard level. Thus, the tissue will not be damaged anymore.

  19. Tuning the ITO work function by capacitively coupled plasma and its application in inverted organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Ming [Laboratory of Plasma Physics and Materials, Beijing Institute of Graphic Communication, Beijing (China); Zhang, Chunmei, E-mail: zhangchunmei@bigc.edu.cn [Laboratory of Plasma Physics and Materials, Beijing Institute of Graphic Communication, Beijing (China); Chen, Qiang [Laboratory of Plasma Physics and Materials, Beijing Institute of Graphic Communication, Beijing (China); State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, Xi’an (China)

    2016-11-01

    Highlights: • The work function of ITO was reduced by plasma treatment. • The reduction of the work function was attributed to the variation in chemical component of ITO surface. • The inverted solar cell without electron transport layer was fabricated using plasma-treated ITO. • Optimal power conversion efficiency of 3.22% was achieved. - Abstract: In this paper, we investigated the performance of inverted organic solar cells (OSCs) with plasma-treated indium tin oxide (ITO) as the cathode for omitting an electron transport layer. The Ar plasma was produced by capcitively coupled plasma setup under 20 Pa chamber pressure. For the device with the structure of plasma-treated ITO/P3HT:PCBM/MoO{sub 3}/Ag, a power conversion efficiency (PCE) of 3.22% was achieved, whereas PCE of 1.13% was recorded from the device fabricated with the pristine ITO. The photovoltaic performance was found to be dependent on the applied power of plasma. After analyzing by atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), we concluded that the chemical component variation of ITOs surface resulted in the decrease of ITO work function, which meant that the ITO Fermi level became shallow relative to the vacuum level. The low work function of ITO should be responsible for the improvement of inverted OSCs because of the better energy level alignment between ITO and the photoactive layer.

  20. An approximate block Newton method for coupled iterations of nonlinear solvers: Theory and conjugate heat transfer applications

    Science.gov (United States)

    Yeckel, Andrew; Lun, Lisa; Derby, Jeffrey J.

    2009-12-01

    A new, approximate block Newton (ABN) method is derived and tested for the coupled solution of nonlinear models, each of which is treated as a modular, black box. Such an approach is motivated by a desire to maintain software flexibility without sacrificing solution efficiency or robustness. Though block Newton methods of similar type have been proposed and studied, we present a unique derivation and use it to sort out some of the more confusing points in the literature. In particular, we show that our ABN method behaves like a Newton iteration preconditioned by an inexact Newton solver derived from subproblem Jacobians. The method is demonstrated on several conjugate heat transfer problems modeled after melt crystal growth processes. These problems are represented by partitioned spatial regions, each modeled by independent heat transfer codes and linked by temperature and flux matching conditions at the boundaries common to the partitions. Whereas a typical block Gauss-Seidel iteration fails about half the time for the model problem, quadratic convergence is achieved by the ABN method under all conditions studied here. Additional performance advantages over existing methods are demonstrated and discussed.

  1. Application of computational fluid dynamics and surrogate-coupled evolutionary computing to enhance centrifugal-pump performance

    Directory of Open Access Journals (Sweden)

    Sayed Ahmed Imran Bellary

    2016-01-01

    Full Text Available To reduce the total design and optimization time, numerical analysis with surrogate-based approaches is being used in turbomachinery optimization. In this work, multiple surrogates are coupled with an evolutionary genetic algorithm to find the Pareto optimal fronts (PoFs of two centrifugal pumps with different specifications in order to enhance their performance. The two pumps were used a centrifugal pump commonly used in industry (Case I and an electrical submersible pump used in the petroleum industry (Case II. The objectives are to enhance head and efficiency of the pumps at specific flow rates. Surrogates such as response surface approximation (RSA, Kriging (KRG, neural networks and weighted-average surrogates (WASs were used to determine the PoFs. To obtain the objective functions’ values and to understand the flow physics, Reynolds-averaged Navier–Stokes equations were solved. It is found that the WAS performs better for both the objectives than any other individual surrogate. The best individual surrogates or the best predicted error sum of squares (PRESS surrogate (BPS obtained from cross-validation (CV error estimations produced better PoFs but was still unable to compete with the WAS. The high CV error-producing surrogate produced the worst PoFs. The performance improvement in this study is due to the change in flow pattern in the passage of the impeller of the pumps.

  2. Design of organic 3D microresonators with microfluidics coupled to thin-film processes for photonic applications

    Science.gov (United States)

    Huby, N.; Pluchon, D.; Coulon, N.; Belloul, M.; Moreac, A.; Gaviot, E.; Panizza, P.; Bêche, B.

    2010-06-01

    We report on the design and realization of photonic integrated devices based on 3D organic microresonators (MR) shaped by an applied fluid mechanism technique. Such an interdisciplinary approach has been judiciously achieved by combining microfluidics techniques and thin-film processes, respectively, for the realizations of microfluidic and optical chips. The microfluidic framework with flow rates control allows the fabrication of microresonators with diameters ranging from 30 to 160 μm. The resonance of an isolated sphere in air has been demonstrated by way of a modified Raman spectroscopy devoted to the excitation of Whispering Gallery Modes (WGM). Then the 3D-MR have been integrated onto an organic chip and positioned either close to the extremity of a taper or alongside a rib waveguide. Both devices have proved efficient evanescent coupling mechanisms leading to the excitation of the WGM confined at the surface of the organic 3D-MR. Finally, a band-stop filter has been used to detect the resonance spectra of organic resonators once being integrated. Such spectral resonances have been observed with an integrated configuration and characterized with a Δ λ = 1.4 nm free spectral range (FSR), appearing as stemming from a 78 μm-radius MR structure.

  3. Application of relativistic coupled-cluster theory to electron impact excitation of Mg+ in the plasma environment

    Science.gov (United States)

    Sharma, Lalita; Sahoo, Bijaya Kumar; Malkar, Pooja; Srivastava, Rajesh

    2018-01-01

    A relativistic coupled-cluster theory is implemented to study electron impact excitations of atomic species. As a test case, the electron impact excitations of the 3 s 2 S 1/2-3 p 2 P 1/2;3/2 resonance transitions are investigated in the singly charged magnesium (Mg+) ion using this theory. Accuracies of wave functions of Mg+ are justified by evaluating its attachment energies of the relevant states and compared with the experimental values. The continuum wave function of the projectile electron are obtained by solving Dirac equations assuming distortion potential as static potential of the ground state of Mg+. Comparison of the calculated electron impact excitation differential and total cross-sections with the available measurements are found to be in very good agreements at various incident electron energies. Further, calculations are carried out in the plasma environment in the Debye-Hückel model framework, which could be useful in the astrophysics. Influence of plasma strength on the cross-sections as well as linear polarization of the photon emission in the 3 p 2 P 3/2-3 s 2 S 1/2 transition is investigated for different incident electron energies.

  4. Quantum statistics for a two-mode magnon system with microwave pumping: application to coupled ferromagnetic nanowires.

    Science.gov (United States)

    Haghshenasfard, Zahra; Cottam, M G

    2017-05-17

    A microscopic (Hamiltonian-based) method for the quantum statistics of bosonic excitations in a two-mode magnon system is developed. Both the exchange and the dipole-dipole interactions, as well as the Zeeman term for an external applied field, are included in the spin Hamiltonian, and the model also contains the nonlinear effects due to parallel pumping and four-magnon interactions. The quantization of spin operators is achieved through the Holstein-Primakoff formalism, and then a coherent magnon state representation is used to study the occupation magnon number and the quantum statistical behaviour of the system. Particular attention is given to the cross correlation between the two coupled magnon modes in a ferromagnetic nanowire geometry formed by two lines of spins. Manipulation of the collapse-and-revival phenomena for the temporal evolution of the magnon number as well as the control of the cross correlation between the two magnon modes is demonstrated by tuning the parallel pumping field amplitude. The role of the four-magnon interactions is particularly interesting and leads to anti-correlation in some cases with coherent states.

  5. Quantum statistics for a two-mode magnon system with microwave pumping: application to coupled ferromagnetic nanowires

    International Nuclear Information System (INIS)

    Haghshenasfard, Zahra; Cottam, M G

    2017-01-01

    A microscopic (Hamiltonian-based) method for the quantum statistics of bosonic excitations in a two-mode magnon system is developed. Both the exchange and the dipole–dipole interactions, as well as the Zeeman term for an external applied field, are included in the spin Hamiltonian, and the model also contains the nonlinear effects due to parallel pumping and four-magnon interactions. The quantization of spin operators is achieved through the Holstein–Primakoff formalism, and then a coherent magnon state representation is used to study the occupation magnon number and the quantum statistical behaviour of the system. Particular attention is given to the cross correlation between the two coupled magnon modes in a ferromagnetic nanowire geometry formed by two lines of spins. Manipulation of the collapse-and-revival phenomena for the temporal evolution of the magnon number as well as the control of the cross correlation between the two magnon modes is demonstrated by tuning the parallel pumping field amplitude. The role of the four-magnon interactions is particularly interesting and leads to anti-correlation in some cases with coherent states. (paper)

  6. On the hot cracking susceptibility of a semisolid aluminium 6061 weld: Application of a coupled solidification- thermomechanical model

    International Nuclear Information System (INIS)

    Rajani, H R Zareie; Phillion, A B

    2015-01-01

    A coupled solidification-thermomechanical model is presented that investigates the hot tearing susceptibility of an aluminium 6061 semisolid weld. Two key phenomena are considered: excessive deformation of the semisolid weld, initiating a hot tear, and the ability of the semisolid weld to heal the hot tear by circulation of the molten metal. The model consists of two major modules: weld solidification and thermomechanical analysis. 1) By means of a multi-scale model of solidification, the microstructural evolution of the semisolid weld is simulated in 3D. The semisolid structure, which varies as a function of welding parameters, is composed of solidifying grains and a network of micro liquid channels. The weld solidification module is utilized to obtain the solidification shrinkage. The size of the micro liquid channels is used as an indicator to assess the healing ability of the semisolid weld. 2) Using the finite element method, the mechanical interaction between the weld pool and the base metal is simulated to capture the transient force field deforming the semisolid weld. Thermomechanical stresses and shrinkage stresses are both considered in the analysis; the solidification contractions are extracted from the weld solidification module and applied to the deformation simulation as boundary conditions. Such an analysis enables characterization of the potential for excessive deformation of the weld. The outputs of the model are used to study the effect of welding parameters including welding current and speed, and also welding constraint on the hot cracking susceptibility of an aluminium alloy 6061 semisolid weld. (paper)

  7. 3D casing-distributor analysis with a novel block coupled OpenFOAM solver for hydraulic design application

    International Nuclear Information System (INIS)

    Devals, C; Zhang, Y; Dompierre, J; Guibault, F; Vu, T C; Mangani, L

    2014-01-01

    Nowadays, computational fluid dynamics is commonly used by design engineers to evaluate and compare losses in hydraulic components as it is less expensive and less time consuming than model tests. For that purpose, an automatic tool for casing and distributor analysis will be presented in this paper. An in-house mesh generator and a Reynolds Averaged Navier-Stokes equation solver using the standard k-ω SST turbulence model will be used to perform all computations. Two solvers based on the C++ OpenFOAM library will be used and compared to a commercial solver. The performance of the new fully coupled block solver developed by the University of Lucerne and Andritz will be compared to the standard 1.6ext segregated simpleFoam solver and to a commercial solver. In this study, relative comparisons of different geometries of casing and distributor will be performed. The present study is thus aimed at validating the block solver and the tool chain and providing design engineers with a faster and more reliable analysis tool that can be integrated into their design process

  8. An Ensemble Recentering Kalman Filter with an Application to Argo Temperature Data Assimilation into the NASA GEOS-5 Coupled Model

    Science.gov (United States)

    Keppenne, Christian L.

    2013-01-01

    A two-step ensemble recentering Kalman filter (ERKF) analysis scheme is introduced. The algorithm consists of a recentering step followed by an ensemble Kalman filter (EnKF) analysis step. The recentering step is formulated such as to adjust the prior distribution of an ensemble of model states so that the deviations of individual samples from the sample mean are unchanged but the original sample mean is shifted to the prior position of the most likely particle, where the likelihood of each particle is measured in terms of closeness to a chosen subset of the observations. The computational cost of the ERKF is essentially the same as that of a same size EnKF. The ERKF is applied to the assimilation of Argo temperature profiles into the OGCM component of an ensemble of NASA GEOS-5 coupled models. Unassimilated Argo salt data are used for validation. A surprisingly small number (16) of model trajectories is sufficient to significantly improve model estimates of salinity over estimates from an ensemble run without assimilation. The two-step algorithm also performs better than the EnKF although its performance is degraded in poorly observed regions.

  9. Coupled prediction of flash flood response and debris flow occurrence: Application on an alpine extreme flood event

    Science.gov (United States)

    Destro, Elisa; Amponsah, William; Nikolopoulos, Efthymios I.; Marchi, Lorenzo; Marra, Francesco; Zoccatelli, Davide; Borga, Marco

    2018-03-01

    The concurrence of flash floods and debris flows is of particular concern, because it may amplify the hazard corresponding to the individual generative processes. This paper presents a coupled modelling framework for the predictions of flash flood response and of the occurrence of debris flows initiated by channel bed mobilization. The framework combines a spatially distributed flash flood response model and a debris flow initiation model to define a threshold value for the peak flow which permits identification of channelized debris flow initiation. The threshold is defined over the channel network as a function of the upslope area and of the local channel bed slope, and it is based on assumptions concerning the properties of the channel bed material and of the morphology of the channel network. The model is validated using data from an extreme rainstorm that impacted the 140 km2 Vizze basin in the Eastern Italian Alps on August 4-5, 2012. The results show that the proposed methodology has improved skill in identifying the catchments where debris-flows are triggered, compared to the use of simpler thresholds based on rainfall properties.

  10. Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.

    Science.gov (United States)

    Roemelt, Michael; Krewald, Vera; Pantazis, Dimitrios A

    2018-01-09

    The accurate description of magnetic level energetics in oligonuclear exchange-coupled transition-metal complexes remains a formidable challenge for quantum chemistry. The density matrix renormalization group (DMRG) brings such systems for the first time easily within reach of multireference wave function methods by enabling the use of unprecedentedly large active spaces. But does this guarantee systematic improvement in predictive ability and, if so, under which conditions? We identify operational parameters in the use of DMRG using as a test system an experimentally characterized mixed-valence bis-μ-oxo/μ-acetato Mn(III,IV) dimer, a model for the oxygen-evolving complex of photosystem II. A complete active space of all metal 3d and bridge 2p orbitals proved to be the smallest meaningful starting point; this is readily accessible with DMRG and greatly improves on the unrealistic metal-only configuration interaction or complete active space self-consistent field (CASSCF) values. Orbital optimization is critical for stabilizing the antiferromagnetic state, while a state-averaged approach over all spin states involved is required to avoid artificial deviations from isotropic behavior that are associated with state-specific calculations. Selective inclusion of localized orbital subspaces enables probing the relative contributions of different ligands and distinct superexchange pathways. Overall, however, full-valence DMRG-CASSCF calculations fall short of providing a quantitative description of the exchange coupling owing to insufficient recovery of dynamic correlation. Quantitatively accurate results can be achieved through a DMRG implementation of second order N-electron valence perturbation theory (NEVPT2) in conjunction with a full-valence metal and ligand active space. Perspectives for future applications of DMRG-CASSCF/NEVPT2 to exchange coupling in oligonuclear clusters are discussed.

  11. Theory of low-energy electron-molecule collision physics in the coupled-channel method and application to e-CO2 scattering

    International Nuclear Information System (INIS)

    Morrison, M.A.

    1976-08-01

    A theory of electron-molecule scattering based on the fixed-nuclei approximation in a body-fixed reference frame is formulated and applied to e-CO 2 collisions in the energy range from 0.07 to 10.0 eV. The procedure used is a single-center coupled-channel method which incorporates a highly accurate static interaction potential, an approximate local exchange potential, and an induced polarization potential. Coupled equations are solved by a modification of the integral equations algorithm; several partial waves are required in the region of space near the nuclei, and a transformation procedure is developed to handle the consequent numerical problems. The potential energy is converged by separating electronic and nuclear contributions in a Legendre-polynomial expansion and including a large number of the latter. Formulas are derived for total elastic, differential, momentum transfer, and rotational excitation cross sections. The Born and asymptotic decoupling approximations are derived and discussed in the context of comparison with the coupled-channel cross sections. Both are found to be unsatisfactory in the energy range under consideration. An extensive discussion of the technical aspects of calculations for electron collisions with highly nonspherical targets is presented, including detailed convergence studies and a discussion of various numerical difficulties. The application to e-CO 2 scattering produces converged results in good agreement with observed cross sections. Various aspects of the physics of this collision are discussed, including the 3.8 eV shape resonance, which is found to possess both p and f character, and the anomalously large low-energy momentum transfer cross sections, which are found to be due to Σ/sub g/ symmetry. Comparison with static and static-exchange approximations are made

  12. Hydro mechanical coupling for non linear behaviour laws. Application to petroleum problems; Couplage hydromecanique pour des lois de comportement non lineaires Application a des problemes petroliers

    Energy Technology Data Exchange (ETDEWEB)

    Longuemare, P.

    1996-11-28

    The aim of this study is to provide a better description of the rock contribution to fluid flows in sedimentary basins and petroleum reservoirs. After a study of the mechanical behaviour of high porosity chalks and shales, we present the elaboration of an elastoplastic constitutive model for the description of their behaviour under various strain and stress paths. This model is introduced in a coupled poro-mechanical approach and used to study the advantages of a good description of strain and stress paths in petroleum reservoirs and sedimentary basins studies. Hydro-mechanical modelling of the behaviour of petroleum reservoir allowed us to analyse the influence of boundary limit conditions on stress paths recovery rates. The study of sedimentary basins showed the importance of the consideration of the evolution of the porosity with time due to the time-scale difference between the laboratory and the field data. (author) 58 refs.

  13. Entrepreneurial Couples

    DEFF Research Database (Denmark)

    Dahl, Michael S.; Van Praag, Mirjam; Thompson, Peter

    2015-01-01

    We study possible motivations for co-entreprenurial couples to start up a joint firm, using a sample of 1,069 Danish couples that established a joint enterprise between 2001 and 2010. We compare their pre-entry characteristics, firm performance and post-dissolution private and financial outcomes...

  14. Development of a novel low-flow ion source/sampling cone geometry for inductively coupled plasma mass spectrometry and application in hyphenated techniques

    Science.gov (United States)

    Pfeifer, Thorben; Janzen, Rasmus; Steingrobe, Tobias; Sperling, Michael; Franze, Bastian; Engelhard, Carsten; Buscher, Wolfgang

    2012-10-01

    A novel ion source/sampling cone device for inductively coupled plasma mass spectrometry (ICP-MS) especially operated in the hyphenated mode as a detection system coupled with different separation modules is presented. Its technical setup is described in detail. Its main feature is the very low total argon consumption of less than 1.5 L min- 1, leading to significant reduction of operational costs especially when time-consuming speciation analysis is performed. The figures of merit of the new system with respect to sensitivity, detection power, long-term stability and working range were explored. Despite the profound differences of argon consumption of the new system in comparison to the conventional ICP-MS system, many of the characteristic features of the conventional ICP-MS could be maintained to a great extent. To demonstrate the ion source's capabilities, it was used as an element-selective detector for gas (GC) and high performance liquid chromatography (HPLC) where organic compounds of mercury and cobalt, respectively, were separated and detected with the new low-flow ICP-MS detection system. The corresponding chromatograms are shown. The applicability for trace element analysis has been validated with the certified reference material NIST 1643e.

  15. Application of laser ablation inductivly coupled plasma mass spectrometry for characterization of U-7Mo/Al-55i dispersion fuels

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jeong Mook; Park, Jai Il; Youn, Young Sang; Ha, Yeong Keong; Kim, Jong Yun [Nuclear Chemistry Research Division, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2017-04-15

    This technical note demonstrates the feasibility of using laser ablation inductively coupled plasma mass spectrometry for the characterization of U–7Mo/Al–5Si dispersion fuel. Our measurements show 5.0% Relative Standard Deviation (RSD) for the reproducibility of measured {sup 98}Mo/{sup 238}U ratios in fuel particles from spot analysis, and 3.4% RSD for {sup 98}Mo/{sup 238}U ratios in a NIST-SRM 612 glass standard. Line scanning allows for the distinction of U–7Mo fuel particles from the Al–5Si matrix. Each mass spectrum peak indicates the presence of U–7Mo fuel particles, and the time width of each peak corresponds to the size of that fuel particle. The size of the fuel particles is estimated from the time width of the mass spectrum peak for {sup 98}Mo by considering the scan rate used during the line scan. This preliminary application clearly demonstrates that laser ablation inductively coupled plasma mass spectrometry can directly identify isotope ratios and sizes of the fuel particles in U–Mo/Al dispersion fuel. Once optimized further, this instrument will be a powerful tool for investigating irradiated dispersion fuels in terms of fission product distributions in fuel matrices, and the changes in fuel particle size or shape after irradiation.

  16. Terahertz plasmon-induced transparency based on asymmetric dual-disk resonators coupled to a semiconductor InSb waveguide and its biosensor application

    Science.gov (United States)

    Shahamat, Yadollah; Vahedi, Mohammad

    2017-06-01

    An ultracompact double eight-shaped plasmonic structure for the realization of plasmon-induced transparency (PIT) in the terahertz (THz) region has been studied. The device consists of a semiconductor-insulator-semiconductor bus waveguide coupled to the dual-disk resonators. Indium antimonide is employed to excite SPP in the THz region. The transmission characteristics of the proposed device are simulated numerically by the finite-difference time-domain method. In addition, a theoretical analysis based on the coupled-mode theory for transmission features is presented and compared with the numerical results. Results are in good agreement. Also, the dependence of PIT frequency characteristics on the radius of the outer disk is discussed in detail. In addition, by removing one of the outer disk resonators, double-PIT peaks can be observed in the transmission spectrum, and the physical mechanism of the appeared peaks is investigated. Finally, an application of the proposed structure for distinguishing different states of DNA molecules is discussed. Results show that the maximum sensitivity with 654 GHz/RIU-1 could be obtained for a single PIT structure. The frequency shifts equal to 37 and 99 GHz could be observed for the denatured and the hybridized DNA states, respectively.

  17. Application of a mesoscale forecasting model (NMM) coupled to the CALMET to develop forecast meteorology to use with the CALPUFF air dispersion model

    International Nuclear Information System (INIS)

    Radonjic, Z.; Telenta, B.; Kirklady, J.; Chambers, D.; Kleb, H.

    2006-01-01

    An air quality assessment was undertaken as part of the Environmental Assessment for the Port Hope Area Initiative. The assessment predicted potential effects associated with the remediation efforts for historic low-level radioactive wastes and construction of Long-Term Waste Management Facilities (LTWMFs) for both the Port Hope and Port Granby Projects. A necessary element of air dispersion modelling is the development of suitable meteorological data. For the Port Hope and Port Granby Projects, a meteorological station was installed in close proximity to the location of the recommended LTWMF in Port Hope. The recommended location for the Port Granby LTWMF is approximately 10 km west of the Port Hope LTWMF. Concerns were raised regarding the applicability of data collected for the Port Hope meteorological station to the Port Granby Site. To address this concern, a new method for processing meteorological data, which coupled mesoscale meteorological forecasting data the U.S. EPA CALMET meteorological data processor, was applied. This methodology is possible because a new and advanced mesoscale forecasting modelling system enables extensive numerical calculations on personal computers. As a result of this advancement, mesoscale forecasting systems can now be coupled with the CALMET meteorological data processor and the CALPUFF air dispersion modelling system to facilitate wind field estimations and air dispersion analysis. (author)

  18. Development of neutronics and thermal hydraulics coupled code – SAC-RIT for plate type fuel and its application to reactivity initiated transient analysis

    International Nuclear Information System (INIS)

    Singh, Tej; Kumar, Jainendra; Mazumdar, Tanay; Raina, V.K.

    2013-01-01

    Highlights: • A point reactor kinetics code coupled with thermal hydraulics of plate type fuel is developed. • This code is applicable for two phase flow of coolant. • Safety analysis of IAEA benchmark reactor core is carried out. • Results agree well with the results available in literature. - Abstract: A point reactor kinetics code SAC-RIT, acronym of Safety Analysis Code for Reactivity Initiated Transient, coupled with thermal hydraulics of two phase coolant flow for plate type fuel, is developed to calculate reactivity initiated transient analysis of nuclear research and test reactors. Point kinetics equations are solved by fourth order Runge Kutta method. Reactivity feedback effect is included into the code. Solution of kinetics equations gives neutronic power and it is then fed into a thermal hydraulic code where mass, momentum and thermal energy conservation equations are solved by explicit finite difference method to find out fuel, clad and coolant temperatures during transients. In this code, all possible flow regimes including laminar flow, transient flow and turbulent flow have been covered. Various heat transfer coefficients suitable for single liquid, sub-cooled boiling, saturation boiling, film boiling and single vapor phases are incorporated in the thermal hydraulic code

  19. Application of the SPA in the design of a hydrogen producer plant coupled to a nuclear reactor

    International Nuclear Information System (INIS)

    Ruiz S, T.; Nelson, P. F.; Francois, J. L.; Cruz G, M. J.

    2013-10-01

    At the present time, one of the processes that is broadly investigated and that, theoretically demonstrates to be one of the most efficient for the hydrogen production, is the thermal-chemistry cycle Sulfur-Iodine (S-I) coupled to a nuclear reactor of very high temperature (VHTR). Because this chemical process of hydrogen production requires of a great inventory of toxic materials (sulphide compounds, hydriodic acid and iodine), is necessary the design of emergency systems with the purpose of protecting the facilities and the equipment s, the environment, as well as the near population. Given the impact of an accidental liberation of the process materials, as well as the proximity with the nuclear plant, is necessary that these emergency systems are the most reliable possible. This way, the results of the consequences analysis are utilized for the optimal localization of the gas sensors that activate the emergency systems, and the flows of the substances that are used for the leakage control. For all this, the use of the Safety Probabilistic Analysis methodology, as well as some standards of the nuclear industry, can be applied to the chemical installation to determine the fault sequences that can take to final states of not controlled leakage. This way, the use of methodologies of Event Tree Analysis and Fault Trees show in their results the components that but contribute in fault of such systems. In this work, is presented the evaluation of the joined models of event and fault trees and like with the obtained results, some proposals to increase the safety of the facilities are exposed. Also, the results of the evaluations of these proposals, and their impact of the probability of the not controlled fault sequences in a plant that is still in design stage are showed. (Author)

  20. Application of CMAC Neural Network Coupled with Active Disturbance Rejection Control Strategy on Three-motor Synchronization Control System

    Directory of Open Access Journals (Sweden)

    Hui Li

    2014-04-01

    Full Text Available Three-motor synchronous coordination system is a MI-MO nonlinear and complex control system. And it often works in poor working condition. Advanced control strategies are required to improve the control performance of the system and to achieve the decoupling between main motor speed and tension. Cerebellar Model Articulation Controller coupled with Active Disturbance Rejection Control (CMAC-ADRC control strategy is proposed. The speed of the main motor and tensions between two motors is decoupled by extended state observer (ESO in ADRC. ESO in ADRC is used to compensate internal and external disturbances of the system online. And the anti interference of the system is improved by ESO. And the same time the control model is optimized. Feedforward control is implemented by the adoption of CMAC neural network controller. And control precision of the system is improved in reason of CMAC. The overshoot of the system can be reduced without affecting the dynamic response of the system by the use of CMAC-ADRC. The simulation results show that: the CMAC- ADRC control strategy is better than the traditional PID control strategy. And CMAC-ADRC control strategy can achieve the decoupling between speed and tension. The control system using CMAC-ADRC have strong anti-interference ability and small regulate time and small overshoot. The magnitude of the system response incited by the interference using CMAC-ADRC is smaller than the system using conventional PID control 6.43 %. And the recovery time of the system with CMAC-ADRC is shorter than the system with traditional PID control 0.18 seconds. And the triangular wave tracking error of the system with CMAC-ADRC is smaller than the system with conventional PID control 0.24 rad/min. Thus the CMAC-ADRC control strategy is a good control strategy and is able to fit three-motor synchronous coordinated control.

  1. Discharge source coupled to a deceleration unit for anion beam generation: Application to H{sub 2}{sup −} photodetachment

    Energy Technology Data Exchange (ETDEWEB)

    Rudnev, V.; Ureña, A. González [Unidad de Láseres y Haces Moleculares, Instituto Pluridisciplinar, Universidad Complutense, Juan XXIII-1, Madrid 28040 (Spain)

    2013-12-15

    A cathode discharge source coupled to a deceleration unit for anion beam generation is described. The discharge source, made of stainless steel or duralumin electrodes and Macor insulators, is attached to the exit nozzle valve plate at one end, and to an Einzel lens to the other end. Subsequently, a cylindrical retardation unit is attached to the Einzel lens to decelerate the ions in order to optimize the laser beam interaction time required for spectroscopic investigations. The compact device is able to produce beam intensities of the order of 2 × 10{sup 12} anions/cm{sup 2} s and 20 μrad of angular divergence with kinetic energies ranging from 30 to 120 eV. Using distinct gas mixtures for the supersonic expansion together with a linear time-of-flight spectrometer, anions of great relevance in molecular astrophysics like, for example, H{sub 2}{sup −}, C{sub 3}H{sup −}, C{sub 2}{sup −}, C{sub 2}H{sup −}, HCN{sub 2}{sup −}, CO{sub 2}{sup −}, CO{sub 2}H{sup −}, C{sub 4}{sup −}, C{sub 4}H{sup −}, C{sub 5}H{sub 4}{sup −}, C{sub 5}H{sub 6}{sup −}, C{sub 7}N{sup −}, and C{sub 10}N{sup −} were produced. Finally, in order to demonstrate the capability of the experimental technique the photodetachment cross-section of the metastable H{sub 2}{sup −}, predominantly in the (v = 0, J = 26) state, was measured following laser excitation at λ{sub exc}= 565 nm obtaining a value of σ{sub ph}= 0.04 Å. To the best of our knowledge, it is the first time that this anion cross-section has been measured.

  2. Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves

    Science.gov (United States)

    Haq, Quazi M. I.; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A.; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S. M.; Al-khanbashi, Fatema H. S.; Al-Fahdi, Amira A. M.; Al-Zaabi, Ahoud K. A.; Al-Shuraiqi, Fatma A. M.; Al-Bahaisi, Iman M.

    2018-06-01

    Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2 days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures.

  3. Coupling and power transfer efficiency enhancement of modular and array of planar coils using in-plane ring-shaped inner ferrites for inductive heating applications

    Science.gov (United States)

    Kilic, V. T.; Unal, E.; Demir, H. V.

    2017-07-01

    We propose and demonstrate a highly effective method of enhancing coupling and power transfer efficiency in inductive heating systems composed of planar coils. The proposed method is based on locating ring-shaped ferrites in the inner side of the coils in the same plane. Measurement results of simple inductive heating systems constructed with either a single or a pair of conventional circular coils show that, with the in-plane inner ferrites, the total dissipated power of the system is increased by over 65%. Also, with three-dimensional full electromagnetic solutions, it is found that power transfer efficiency of the system is increased up to 92% with the inner ferrite placement. The proposed method is promising to be used for efficiency enhancement in inductive heating applications, especially in all-surface induction hobs.

  4. Coupling of atom-by-atom calculations of extended defects with B kick-out equations: application to the simulation of boron ted

    International Nuclear Information System (INIS)

    Lampin, E.; Cristiano, F.; Lamrani, Y.; Colombeau, B.

    2004-01-01

    We present simulations of B TED based on a complete calculation of the extended defect growth/shrinkage during annealing. The Si self-interstitial supersaturation calculated at the extended defect depth is coupled to the set of equations for the B kick-out diffusion through a generation/recombination term in the diffusion equation of the Si self-interstitials. The simulations are compared to the measurements performed on a Si wafer containing several B marker layers, where the amount of TED varies from one peak to the other. The good agreement obtained on this experiment is very promising for the application of these calculations to the case of ultra-shallow B + implants

  5. Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves.

    Science.gov (United States)

    Haq, Quazi M I; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S M; Al-Khanbashi, Fatema H S; Al-Fahdi, Amira A M; Al-Zaabi, Ahoud K A; Al-Shuraiqi, Fatma A M; Al-Bahaisi, Iman M

    2018-06-05

    Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures. Copyright © 2018 Elsevier B.V. All rights reserved.

  6. Industry Application ECCS / LOCA Integrated Cladding/Emergency Core Cooling System Performance: Demonstration of LOTUS-Baseline Coupled Analysis of the South Texas Plant Model

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hongbin [Idaho National Lab. (INL), Idaho Falls, ID (United States); Szilard, Ronaldo [Idaho National Lab. (INL), Idaho Falls, ID (United States); Epiney, Aaron [Idaho National Lab. (INL), Idaho Falls, ID (United States); Parisi, Carlo [Idaho National Lab. (INL), Idaho Falls, ID (United States); Vaghetto, Rodolfo [Texas A & M Univ., College Station, TX (United States); Vanni, Alessandro [Texas A & M Univ., College Station, TX (United States); Neptune, Kaleb [Texas A & M Univ., College Station, TX (United States)

    2017-06-01

    Under the auspices of the DOE LWRS Program RISMC Industry Application ECCS/LOCA, INL has engaged staff from both South Texas Project (STP) and the Texas A&M University (TAMU) to produce a generic pressurized water reactor (PWR) model including reactor core, clad/fuel design and systems thermal hydraulics based on the South Texas Project (STP) nuclear power plant, a 4-Loop Westinghouse PWR. A RISMC toolkit, named LOCA Toolkit for the U.S. (LOTUS), has been developed for use in this generic PWR plant model to assess safety margins for the proposed NRC 10 CFR 50.46c rule, Emergency Core Cooling System (ECCS) performance during LOCA. This demonstration includes coupled analysis of core design, fuel design, thermalhydraulics and systems analysis, using advanced risk analysis tools and methods to investigate a wide range of results. Within this context, a multi-physics best estimate plus uncertainty (MPBEPU) methodology framework is proposed.

  7. Trace gas sensing using quantum cascade lasers and a fiber-coupled optoacoustic sensor: Application to formaldehyde

    Energy Technology Data Exchange (ETDEWEB)

    Elia, A; Lugara, P M; Scamarcio, G [CNR-INFM Regional Laboratory LIT and Dipartimento Interateneo di Fisica, Universita di Bari, via Amendola 173, 70126 Bari (Italy); Spagnolo, V [CNR-INFM Regional Laboratory LIT and Dipartimento Interateneo di Fisica, Politecnico di Bari, via Amendola 173, 70126 Bari (Italy); Di Franco, C, E-mail: spagnolo@fisica.uniba.i [CNR-INFM Regional Laboratory LIT, via Amendola 173, 70126 Bari (Italy)

    2010-03-01

    We will report here on the design and realization of an optoacoustic sensor for the detection of formaldehyde. The sensor consists of a commercial QCL and a resonant PA cell. Two different cell configurations have been investigated: a 'standard' H cell and an innovative T-cell with an optical fiber directly inserted into. Two different type of sound detector have been employed: electret microphones and optical MEMS-based microphone. As possible applications, we will describe the results obtained in the detection of formaldehyde (CH{sub 2}O), a gas of great interest for industrial processes and environmental monitoring.

  8. Theoretical modelling of iron nitriding coupled with a nanocrystallisation treatment. Application to numerical predictions for ferritic stainless steels

    Energy Technology Data Exchange (ETDEWEB)

    Panicaud, B., E-mail: benoit.panicaud@utt.fr [ICD-LASMIS, Universite de Technologie de Troyes (UTT), UMR CNRS 6279, 12 rue Marie Curie, 10010 Troyes (France); Chemkhi, M.; Roos, A.; Retraint, D. [ICD-LASMIS, Universite de Technologie de Troyes (UTT), UMR CNRS 6279, 12 rue Marie Curie, 10010 Troyes (France)

    2012-06-15

    This paper analyses a recently developed duplex process combining nitriding with nanocrystallisation. A model is proposed to show how nitrogen diffusion mechanisms are modified within ferritic steels due to the nanostructure near the top surface. This model is based on micro-mechanical and micro-physical approaches, and also on the thermodynamics of irreversible processes. It takes into account size effects influencing the nitrogen diffusion, including mechanical stresses at the different length scales. Several models are investigated and numerical applications are performed. The results are compared to literature in order to demonstrate the generality of the present methodology.

  9. Coupling of modal and finite elements methods for the diffraction of guided elastics waves: application to non destructive testing

    International Nuclear Information System (INIS)

    Baronian, V.

    2009-11-01

    A typical nondestructive examination based on guided elastic waves can be simulated by considering an elastic 2D (a plate) or 3D (a rod) guide that contains a defect (a crack, a local heterogeneity due to a weld etc.). Our aim is to solve numerically the problem of the scattering by a defect of a mode propagating in a guide. This has been achieved by developing a method that couples i) finite elements in the smallest possible region of the guide that contains the defect, with ii) the modal decomposition of waves outside this region. The main challenge consists in finding the right linking condition of both representations. A decisive tool is the obtaining of an orthogonality relation which makes it possible to project the finite element solution onto guided modes. For this, the problem is formulated in terms of hybrid vectors (displacement/stress) for which a bi-orthogonality relation exists, namely, the Fraser's relation. It is then possible to derive an exact (transparent) condition on the artificial boundaries of the finite element domain; the modal series taken into account being necessarily truncated, transparency is achieved only approximately. Eventually, this boundary condition is integrated in a variational approach (in terms of displacement) in order to develop a finite element method. The transparent boundary condition being expressed in terms of the hybrid vectors, the stress normal to the artificial boundary is introduced as a supplementary unknown, together with a mixed formulation. Both 2D and 3D isotropic guides with free boundary conditions have been considered numerically. Guided modes are computed thanks to an original modeling approach also based on the hybrid (displacement/stress) vectors; interestingly, bi-orthogonality relation expressed in a discrete form is preserved. The code implementing these methods leads to fast computations of the scattering matrix of a defect; once this matrix has been computed at various frequencies, the defect

  10. Determining of the optimal design of a closed loop solar dual source heat pump system coupled with a residential building application

    International Nuclear Information System (INIS)

    Chargui, Ridha; Awani, Sami

    2017-01-01

    Graphical abstract: Operation of the system in heating mode. - Highlights: • We examine the control function in the level of heat pump and collector. • We examine the temporal evolution of the temperature and energy in the all components of the system. • A better system with a significant energy saving was achieved. • The system gives good results in all operating states. - Abstract: This work highlights the results on the coupling of a flat plate collector coupled with a dual source heat pump system and a heat exchanger for building application. The novelty point of this work is to integrate a heat exchanger in the floor and in the interstitial space of the residential house roof in order to minimize the consumed electric power. This technology defining the operational state of the system has been developed and adapted in the present investigation by adopting the Tunisian climate. The dimensioning of this installation for different component makes it possible to operate the hot water heating systems ecologically. Hence, our objective is to ameliorate the performance of the system using the solar radiation converted to the thermal energy in the level of the flat plate collector and the heat pump. A several experimental data have been added for realizing a numerical model based on TRNSYS software. From this point of view, a numerical model was improved in building application using a 150 m 2 as surface area of the building which consists of two floor zones. The dual source heat pump was coupled with a ground heat exchanger (GHE) with 0.2 m of depth. The distance between two consecutive tubes is 0.3 m and the surface area of the solar collector is 8 m 2 . The simulation results have been obtained for 48 h operation in January and all inputs data of the system have been predicted during 48 h and 6 months of heating in Tunisia. It was demonstrated that the COP of the dual source heat pump was enhanced with the increase of the solar radiation during the typical

  11. Coarse grain model for coupled thermo-mechano-chemical processes and its application to pressure-induced endothermic chemical reactions

    International Nuclear Information System (INIS)

    Antillon, Edwin; Banlusan, Kiettipong; Strachan, Alejandro

    2014-01-01

    We extend a thermally accurate model for coarse grain dynamics (Strachan and Holian 2005 Phys. Rev. Lett. 94 014301) to enable the description of stress-induced chemical reactions in the degrees of freedom internal to the mesoparticles. Similar to the breathing sphere model, we introduce an additional variable that describes the internal state of the particles and whose dynamics is governed both by an internal potential energy function and by interparticle forces. The equations of motion of these new variables are derived from a Hamiltonian and the model exhibits two desired features: total energy conservation and Galilean invariance. We use a simple model material with pairwise interactions between particles and study pressure-induced chemical reactions induced by hydrostatic and uniaxial compression. These examples demonstrate the ability of the model to capture non-trivial processes including the interplay between mechanical, thermal and chemical processes of interest in many applications. (paper)

  12. Key Technologies and Applications of Satellite and Sensor Web-coupled Real-time Dynamic Web Geographic Information System

    Directory of Open Access Journals (Sweden)

    CHEN Nengcheng

    2017-10-01

    Full Text Available The geo-spatial information service has failed to reflect the live status of spot and meet the needs of integrated monitoring and real-time information for a long time. To tackle the problems in observation sharing and integrated management of space-borne, air-borne, and ground-based platforms and efficient service of spatio-temporal information, an observation sharing model was proposed. The key technologies in real-time dynamic geographical information system (GIS including maximum spatio-temporal coverage-based optimal layout of earth-observation sensor Web, task-driven and feedback-based control, real-time access of streaming observations, dynamic simulation, warning and decision support were detailed. An real-time dynamic Web geographical information system (WebGIS named GeoSensor and its applications in sensing and management of spatio-temporal information of Yangtze River basin including navigation, flood prevention, and power generation were also introduced.

  13. Application of Continuous and Structural ARMA modeling for noise analysis of a BWR coupled core and plant instability event

    International Nuclear Information System (INIS)

    Demeshko, M.; Dokhane, A.; Washio, T.; Ferroukhi, H.; Kawahara, Y.; Aguirre, C.

    2015-01-01

    Highlights: • We demonstrate the first application of a novel CSARMA method. • We analyze the instability occurred in a Swiss BWR plant during power ascension. • Benchmarked the results against STP analysis. • The CSARMA results are consistent with the background physics and the STP results. • The instability was caused by disturbances in the pressure control system. - Abstract: This paper presents a first application of a novel Continuous and Structural Autoregressive Moving Average (CSARMA) modeling approach to BWR noise analysis. The CSARMA approach derives a unique representation of the system dynamics by more robust and reliable canonical models as basis for signal analysis in general and for reactor diagnostics in particular. In this paper, a stability event that occurred in a Swiss BWR plant during power ascension phase is analyzed as well as the time periods that preceded and followed the event. Focusing only on qualitative trends at this stage, the obtained results clearly indicate a different dynamical state during the unstable event compared to the two other stable periods. Also, they could be interpreted as pointing out a disturbance in the pressure control system as primary cause for the event. To benchmark these findings, the frequency-domain based signal transmission-path (STP) method is also applied. And with the STP method, we obtained similar relationships as mentioned above. This consistency between both methods can be considered as being a confirmation that the event was caused by a pressure control system disturbance and not induced by the core. Also, it is worth noting that the STP analysis failed to catch the relations among the processes during the stable periods, that were clearly indicated by the CSARMA method, since the last uses more precise models as basis

  14. Entrepreneurial Couples

    DEFF Research Database (Denmark)

    Dahl, Michael S.; Van Praag, Mirjam; Thompson, Peter

    with a selected set of comparable firms and couples. We find evidence that couples often establish a business together because one spouse – most commonly the female – has limited outside opportunities in the labor market. However, the financial benefits for each of the spouses, and especially the female......We study possible motivations for co-entrepenurial couples to start up a joint firm, using a sample of 1,069 Danish couples that established a joint enterprise between 2001 and 2010. We compare their pre-entry characteristics, firm performance and postdissolution private and financial outcomes......, are larger in co-entrepreneurial firms, both during the life of the business and post-dissolution. The start-up of co-entrepreneurial firms seems therefore a sound investment in the human capital of both spouses as well as in the reduction of income inequality in the household. We find no evidence of non...

  15. Entrepreneurial Couples

    DEFF Research Database (Denmark)

    Dahl, Michael S.; Van Praag, Mirjam; Thompson, Peter

    with a selected set of comparable firms and couples. We find evidence that couples often establish a business together because one spouse - most commonly the female - has limited outside opportunities in the labor market. However, the financial benefits for each of the spouses, and especially the female......We study possible motivations for co-entrepenurial couples to start up a joint firm, us-ing a sample of 1,069 Danish couples that established a joint enterprise between 2001 and 2010. We compare their pre-entry characteristics, firm performance and post-dissolution private and financial outcomes......, are larger in co-entrepreneurial firms, both during the life of the business and post-dissolution. The start-up of co-entrepreneurial firms seems therefore a sound in-vestment in the human capital of both spouses as well as in the reduction of income inequality in the household. We find no evidence of non...

  16. Conceptual design of a high-speed electromagnetic switch for a modified flux-coupling-type SFCL and its application in renewable energy system.

    Science.gov (United States)

    Chen, Lei; Chen, Hongkun; Yang, Jun; Shu, Zhengyu; He, Huiwen; Shu, Xin

    2016-01-01

    The modified flux-coupling-type superconducting fault current (SFCL) is a high-efficient electrical auxiliary device, whose basic function is to suppress the short-circuit current by controlling the magnetic path through a high-speed switch. In this paper, the high-speed switch is based on electromagnetic repulsion mechanism, and its conceptual design is carried out to promote the application of the modified SFCL. Regarding that the switch which is consisting of a mobile copper disc, two fixed opening and closing coils, the computational method for the electromagnetic force is discussed, and also the dynamic mathematical model including circuit equation, magnetic field equation as well as mechanical motion equation is theoretically deduced. According to the mathematical modeling and calculation of characteristic parameters, a feasible design scheme is presented, and the high-speed switch's response time can be less than 0.5 ms. For that the modified SFCL is equipped with this high-speed switch, the SFCL's application in a 10 kV micro-grid system with multiple renewable energy sources are assessed in the MATLAB software. The simulations are well able to affirm the SFCL's performance behaviors.

  17. Ultra-Sensitive Elemental Analysis Using Plasmas 4.Application of Inductively Coupled Plasma Mass Spectrometry to the Study of Environmental Radioactivity

    Science.gov (United States)

    Yoshida, Satoshi

    Applications of inductively coupled plasma mass spectrometry (ICP-MS) to the determination of long-lived radionuclides in environmental samples were summarized. In order to predict the long-term behavior of the radionuclides, related stable elements were also determined. Compared with radioactivity measurements, the ICP-MS method has advantages in terms of its simple analytical procedures, prompt measurement time, and capability of determining the isotope ratio such as240Pu/239Pu, which can not be separated by radiation. Concentration of U and Th in Japanese surface soils were determined in order to determine the background level of the natural radionuclides. The 235U/238U ratio was successfully used to detect the release of enriched U from reconversion facilities to the environment and to understand the source term. The 240Pu/239Pu ratios in environmental samples varied widely depending on the Pu sources. Applications of ICP-MS to the measurement of I and Tc isotopes were also described. The ratio between radiocesium and stable Cs is useful for judging the equilibrium of deposited radiocesium in a forest ecosystem.

  18. Application of carbohydrate arrays coupled with mass spectrometry to detect activity of plant-polysaccharide degradative enzymes from the fungus Aspergillus niger.

    Science.gov (United States)

    van Munster, Jolanda M; Thomas, Baptiste; Riese, Michel; Davis, Adrienne L; Gray, Christopher J; Archer, David B; Flitsch, Sabine L

    2017-02-21

    Renewables-based biotechnology depends on enzymes to degrade plant lignocellulose to simple sugars that are converted to fuels or high-value products. Identification and characterization of such lignocellulose degradative enzymes could be fast-tracked by availability of an enzyme activity measurement method that is fast, label-free, uses minimal resources and allows direct identification of generated products. We developed such a method by applying carbohydrate arrays coupled with MALDI-ToF mass spectrometry to identify reaction products of carbohydrate active enzymes (CAZymes) of the filamentous fungus Aspergillus niger. We describe the production and characterization of plant polysaccharide-derived oligosaccharides and their attachment to hydrophobic self-assembling monolayers on a gold target. We verify effectiveness of this array for detecting exo- and endo-acting glycoside hydrolase activity using commercial enzymes, and demonstrate how this platform is suitable for detection of enzyme activity in relevant biological samples, the culture filtrate of A. niger grown on wheat straw. In conclusion, this versatile method is broadly applicable in screening and characterisation of activity of CAZymes, such as fungal enzymes for plant lignocellulose degradation with relevance to biotechnological applications as biofuel production, the food and animal feed industry.

  19. Vibronic coupling density and related concepts

    International Nuclear Information System (INIS)

    Sato, Tohru; Uejima, Motoyuki; Iwahara, Naoya; Haruta, Naoki; Shizu, Katsuyuki; Tanaka, Kazuyoshi

    2013-01-01

    Vibronic coupling density is derived from a general point of view as a one-electron property density. Related concepts as well as their applications are presented. Linear and nonlinear vibronic coupling density and related concepts, orbital vibronic coupling density, reduced vibronic coupling density, atomic vibronic coupling constant, and effective vibronic coupling density, illustrate the origin of vibronic couplings and enable us to design novel functional molecules or to elucidate chemical reactions. Transition dipole moment density is defined as an example of the one-electron property density. Vibronic coupling density and transition dipole moment density open a way to design light-emitting molecules with high efficiency.

  20. Applications of a pnCCD detector coupled to columnar structure CsI(Tl) scintillator system in ultra high energy X-ray Laue diffraction

    Science.gov (United States)

    Shokr, M.; Schlosser, D.; Abboud, A.; Algashi, A.; Tosson, A.; Conka, T.; Hartmann, R.; Klaus, M.; Genzel, C.; Strüder, L.; Pietsch, U.

    2017-12-01

    Most charge coupled devices (CCDs) are made of silicon (Si) with typical active layer thicknesses of several microns. In case of a pnCCD detector the sensitive Si thickness is 450 μm. However, for silicon based detectors the quantum efficiency for hard X-rays drops significantly for photon energies above 10 keV . This drawback can be overcome by combining a pixelated silicon-based detector system with a columnar scintillator. Here we report on the characterization of a low noise, fully depleted 128×128 pixels pnCCD detector with 75×75 μm2 pixel size coupled to a 700 μm thick columnar CsI(Tl) scintillator in the photon range between 1 keV to 130 keV . The excellent performance of the detection system in the hard X-ray range is demonstrated in a Laue type X-ray diffraction experiment performed at EDDI beamline of the BESSY II synchrotron taken at a set of several GaAs single crystals irradiated by white synchrotron radiation. With the columnar structure of the scintillator, the position resolution of the whole system reaches a value of less than one pixel. Using the presented detector system and considering the functional relation between indirect and direct photon events Laue diffraction peaks with X-ray energies up to 120 keV were efficiently detected. As one of possible applications of the combined CsI-pnCCD system we demonstrate that the accuracy of X-ray structure factors extracted from Laue diffraction peaks can be significantly improved in hard X-ray range using the combined CsI(Tl)-pnCCD system compared to a bare pnCCD.

  1. Application of neutron activation analysis and inductively coupled plasma mass spectrometry to the determination of toxic and essential elements in Australian foods

    International Nuclear Information System (INIS)

    Fardy, J.J.; McOrist, G.D.; Farrar, Y.J.; Bowles, C.J.; Warner, I.M.; Tan Mingguang

    1994-01-01

    Current Australian Legislation specifies the maximum permitted levels of nine toxic elements in food while the National Health and Medical Research Council (NH and MRC) has listed recommended daily intake figures for seven essential elements. This investigation examined the compliance of Australian foods with both these requirements. Australia-wide samples of representative foods from the diets of Australians were used in this study after the NH and MRC kindly permitted us to join their Market Basket (Noxious Substance) Survey. Both toxic and essential element concentrations in these foods were determined using the advanced analytical techniques of instrumental (INAA) and radiochemical neutron activation analysis (RNAA) and inductively coupled plasma mass spectrometry (ICP-MS). With very few exceptions, foods do not exceed the maximum permitted levels for toxic substances. Daily intake figures for essential elements generally lie close to the maximum recommended values listed by NH and MRC. Since another source of toxic element intake is drinking water, samples from different locations were analyzed by NAA and inductively coupled plasma atomic emission spectroscopy (ICP-AES). They were extremely low in trace elements with the exception of copper, iron, zinc and lead which approached the maximum permitted concentrations. The performance of NAA and ICP-MS for analyzing biological materials were compared. NAA cannot match the superior sensitivity for a wider range of elements obtained by ICP-MS. This has been verified for a wide range of food materials. While NAA is an inconvenient and time-consuming technique for many applications, it does not suffer from blank problems after irradiation of the sample and becomes the preferred technique where low limits of detection are required for trace concentrations in solid samples. (author). 22 refs, 27 figs, 21 tabs

  2. Application of a microwave-based desolvation system for multi-elemental analysis of wine by inductively coupled plasma based techniques

    Energy Technology Data Exchange (ETDEWEB)

    Grindlay, Guillermo [Department of Analytical Chemistry, Nutrition and Food Sciences, University of Alicante, P.O. Box 99, 03080 Alicante (Spain)], E-mail: guillermo.grindlay@ua.es; Mora, Juan; Maestre, Salvador; Gras, Luis [Department of Analytical Chemistry, Nutrition and Food Sciences, University of Alicante, P.O. Box 99, 03080 Alicante (Spain)

    2008-11-23

    Elemental wine analysis is often required from a nutritional, toxicological, origin and authenticity point of view. Inductively coupled plasma based techniques are usually employed for this analysis because of their multi-elemental capabilities and good limits of detection. However, the accurate analysis of wine samples strongly depends on their matrix composition (i.e. salts, ethanol, organic acids) since they lead to both spectral and non-spectral interferences. To mitigate ethanol (up to 10% w/w) related matrix effects in inductively coupled plasma atomic emission spectrometry (ICP-AES), a microwave-based desolvation system (MWDS) can be successfully employed. This finding suggests that the MWDS could be employed for elemental wine analysis. The goal of this work is to evaluate the applicability of the MWDS for elemental wine analysis in ICP-AES and inductively coupled plasma mass spectrometry (ICP-MS). For the sake of comparison a conventional sample introduction system (i.e. pneumatic nebulizer attached to a spray chamber) was employed. Matrix effects, precision, accuracy and analysis throughput have been selected as comparison criteria. For ICP-AES measurements, wine samples can be directly analyzed without any sample treatment (i.e. sample dilution or digestion) using pure aqueous standards although internal standardization (IS) (i.e. Sc) is required. The behaviour of the MWDS operating with organic solutions in ICP-MS has been characterized for the first time. In this technique the MWDS has shown its efficiency to mitigate ethanol related matrix effects up to concentrations of 1% (w/w). Therefore, wine samples must be diluted to reduce the ethanol concentration up to this value. The results obtained have shown that the MWDS is a powerful device for the elemental analysis of wine samples in both ICP-AES and ICP-MS. In general, the MWDS has some attractive advantages for elemental wine analysis when compared to a conventional sample introduction system such

  3. Application of a microwave-based desolvation system for multi-elemental analysis of wine by inductively coupled plasma based techniques

    International Nuclear Information System (INIS)

    Grindlay, Guillermo; Mora, Juan; Maestre, Salvador; Gras, Luis

    2008-01-01

    Elemental wine analysis is often required from a nutritional, toxicological, origin and authenticity point of view. Inductively coupled plasma based techniques are usually employed for this analysis because of their multi-elemental capabilities and good limits of detection. However, the accurate analysis of wine samples strongly depends on their matrix composition (i.e. salts, ethanol, organic acids) since they lead to both spectral and non-spectral interferences. To mitigate ethanol (up to 10% w/w) related matrix effects in inductively coupled plasma atomic emission spectrometry (ICP-AES), a microwave-based desolvation system (MWDS) can be successfully employed. This finding suggests that the MWDS could be employed for elemental wine analysis. The goal of this work is to evaluate the applicability of the MWDS for elemental wine analysis in ICP-AES and inductively coupled plasma mass spectrometry (ICP-MS). For the sake of comparison a conventional sample introduction system (i.e. pneumatic nebulizer attached to a spray chamber) was employed. Matrix effects, precision, accuracy and analysis throughput have been selected as comparison criteria. For ICP-AES measurements, wine samples can be directly analyzed without any sample treatment (i.e. sample dilution or digestion) using pure aqueous standards although internal standardization (IS) (i.e. Sc) is required. The behaviour of the MWDS operating with organic solutions in ICP-MS has been characterized for the first time. In this technique the MWDS has shown its efficiency to mitigate ethanol related matrix effects up to concentrations of 1% (w/w). Therefore, wine samples must be diluted to reduce the ethanol concentration up to this value. The results obtained have shown that the MWDS is a powerful device for the elemental analysis of wine samples in both ICP-AES and ICP-MS. In general, the MWDS has some attractive advantages for elemental wine analysis when compared to a conventional sample introduction system such

  4. Application of the coupled code Athlet-Quabox/Cubbox for the extreme scenarios of the OECD/NRC BWR turbine trip benchmark and its performance on multi-processor computers

    International Nuclear Information System (INIS)

    Langenbuch, S.; Schmidt, K.D.; Velkov, K.

    2003-01-01

    The OECD/NRC BWR Turbine Trip (TT) Benchmark is investigated to perform code-to-code comparison of coupled codes including a comparison to measured data which are available from turbine trip experiments at Peach Bottom 2. This Benchmark problem for a BWR over-pressure transient represents a challenging application of coupled codes which integrate 3-dimensional neutron kinetics into thermal-hydraulic system codes for best-estimate simulation of plant transients. This transient represents a typical application of coupled codes which are usually performed on powerful workstations using a single CPU. Nowadays, the availability of multi-CPUs is much easier. Indeed, powerful workstations already provide 4 to 8 CPU, computer centers give access to multi-processor systems with numbers of CPUs in the order of 16 up to several 100. Therefore, the performance of the coupled code Athlet-Quabox/Cubbox on multi-processor systems is studied. Different cases of application lead to changing requirements of the code efficiency, because the amount of computer time spent in different parts of the code is varying. This paper presents main results of the coupled code Athlet-Quabox/Cubbox for the extreme scenarios of the BWR TT Benchmark together with evaluations of the code performance on multi-processor computers. (authors)

  5. Analysis of some coplanar transmission lines: coplanar coupled lines, coplanar coupled striplines, and coplanar coupled lines with rectangular microshield

    Science.gov (United States)

    Yuan, Naichang; He, Jianguo; Yao, Demiao; Dai, Qin; Lin, Weigan

    1995-06-01

    Two types of coplanar transmission lines, rectangular microshield coplanar coupled lines (RMCCL) and coplanar coupled rectangular microshield lines (CCRML), are proposed for MMIC applications. These are developed from coplanar coupled lines (CCL) and coplanar coupled strip lines (CCS). Analytic formulas are presented for calculating the quasistatic TEM parameters of these coupled lines by means of exact conformal mapping techniques. Numerical results are also presented to illustrate the properties of these coplanar transmission lines.

  6. Ultra-short pulse delivery at high average power with low-loss hollow core fibers coupled to TRUMPF's TruMicro laser platforms for industrial applications

    Science.gov (United States)

    Baumbach, S.; Pricking, S.; Overbuschmann, J.; Nutsch, S.; Kleinbauer, J.; Gebs, R.; Tan, C.; Scelle, R.; Kahmann, M.; Budnicki, A.; Sutter, D. H.; Killi, A.

    2017-02-01

    Multi-megawatt ultrafast laser systems at micrometer wavelength are commonly used for material processing applications, including ablation, cutting and drilling of various materials or cleaving of display glass with excellent quality. There is a need for flexible and efficient beam guidance, avoiding free space propagation of light between the laser head and the processing unit. Solid core step index fibers are only feasible for delivering laser pulses with peak powers in the kW-regime due to the optical damage threshold in bulk silica. In contrast, hollow core fibers are capable of guiding ultra-short laser pulses with orders of magnitude higher peak powers. This is possible since a micro-structured cladding confines the light within the hollow core and therefore minimizes the spatial overlap between silica and the electro-magnetic field. We report on recent results of single-mode ultra-short pulse delivery over several meters in a lowloss hollow core fiber packaged with industrial connectors. TRUMPF's ultrafast TruMicro laser platforms equipped with advanced temperature control and precisely engineered opto-mechanical components provide excellent position and pointing stability. They are thus perfectly suited for passive coupling of ultra-short laser pulses into hollow core fibers. Neither active beam launching components nor beam trackers are necessary for a reliable beam delivery in a space and cost saving packaging. Long term tests with weeks of stable operation, excellent beam quality and an overall transmission efficiency of above 85 percent even at high average power confirm the reliability for industrial applications.

  7. The application of headspace gas chromatography coupled to tandem quadrupole mass spectrometry for the analysis of furan in baby food samples.

    Science.gov (United States)

    Pugajeva, Iveta; Rozentale, Irina; Viksna, Arturs; Bartkiene, Elena; Bartkevics, Vadims

    2016-12-01

    Selective methodology employing a tandem quadrupole mass spectrometer coupled to a gas chromatograph with headspace autosampler (HS-GC-MS/MS) was elaborated in this study. Application of the elaborated procedure resulted in a limit of detection of 0.021μgkg(-1) and a limit of quantification of 0.071μgkg(-1). The mean recoveries during in-house validation ranged from 89% to 109%, and coefficients of variation for repeatability ranged from 4% to 11%. The proposed analytical method was applied for monitoring the furan content of 30 commercial baby food samples available on the Latvian retail market. The level of furan found in these samples varied from 0.45 to 81.9μgkg(-1), indicating that infants whose sole diet comprises baby food sold in jars and cans are exposed constantly to furan. Samples containing vegetables and meat had higher levels of furan than those containing only fruits. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. An automated system for the analysis of G protein-coupled receptor transmembrane binding pockets: alignment, receptor-based pharmacophores, and their application.

    Science.gov (United States)

    Kratochwil, Nicole A; Malherbe, Pari; Lindemann, Lothar; Ebeling, Martin; Hoener, Marius C; Mühlemann, Andreas; Porter, Richard H P; Stahl, Martin; Gerber, Paul R

    2005-01-01

    G protein-coupled receptors (GPCRs) share a common architecture consisting of seven transmembrane (TM) domains. Various lines of evidence suggest that this fold provides a generic binding pocket within the TM region for hosting agonists, antagonists, and allosteric modulators. Here, a comprehensive and automated method allowing fast analysis and comparison of these putative binding pockets across the entire GPCR family is presented. The method relies on a robust alignment algorithm based on conservation indices, focusing on pharmacophore-like relationships between amino acids. Analysis of conservation patterns across the GPCR family and alignment to the rhodopsin X-ray structure allows the extraction of the amino acids lining the TM binding pocket in a so-called ligand binding pocket vector (LPV). In a second step, LPVs are translated to simple 3D receptor pharmacophore models, where each amino acid is represented by a single spherical pharmacophore feature and all atomic detail is omitted. Applications of the method include the assessment of selectivity issues, support of mutagenesis studies, and the derivation of rules for focused screening to identify chemical starting points in early drug discovery projects. Because of the coarseness of this 3D receptor pharmacophore model, however, meaningful scoring and ranking procedures of large sets of molecules are not justified. The LPV analysis of the trace amine-associated receptor family and its experimental validation is discussed as an example. The value of the 3D receptor model is demonstrated for a class C GPCR family, the metabotropic glutamate receptors.

  9. Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions

    Science.gov (United States)

    Jagau, Thomas-C.

    2018-01-01

    The impact of residual electron correlation beyond the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) approximation on positions and widths of electronic resonances is investigated. To establish a method that accomplishes this task in an economical manner, several approaches proposed for the approximate treatment of triple excitations are reviewed with respect to their performance in the electron attachment (EA) variant of EOM-CC theory. The recently introduced EOM-CCSD(T)(a)* method [D. A. Matthews and J. F. Stanton, J. Chem. Phys. 145, 124102 (2016)], which includes non-iterative corrections to the reference and the target states, reliably reproduces vertical attachment energies from EOM-EA-CC calculations with single, double, and full triple excitations in contrast to schemes in which non-iterative corrections are applied only to the target states. Applications of EOM-EA-CCSD(T)(a)* augmented by a complex absorbing potential (CAP) to several temporary anions illustrate that shape resonances are well described by EOM-EA-CCSD, but that residual electron correlation often makes a non-negligible impact on their positions and widths. The positions of Feshbach resonances, on the other hand, are significantly improved when going from CAP-EOM-EA-CCSD to CAP-EOM-EA-CCSD(T)(a)*, but the correct energetic order of the relevant electronic states is still not achieved.

  10. Elemental speciation via high-performance liquid chromatography combined with inductively coupled plasma atomic emission spectroscopic detection: application of a direct injection nebulizer

    International Nuclear Information System (INIS)

    LaFreniere, K.E; Fassel, V.A.; Eckels, D.E.

    1987-01-01

    An evaluation is presented of a direct injection nebulizer (DIN) interfaced to a high-performance liquid chromatograph (HPLC) with inductively coupled plasma atomic emission spectroscopic (ICP-AES) detection for simultaneous multielement speciation. The limits of detection (LODs) obtained with the DIN interface in the HPLC mode were found to be comparable to those obtained by continuous-flow sample introduction into the ICP, or inferior by up to only a factor of 4. In addition, the DIN allowed for the direct injection into the ICP of a variety of common HPLC solvents (up to 100% methanol, acetonitrile, methyl isobutyl ketone, pyridine, and water). The HPLC-DIN-ICP-AES system was compared to other HPLC-atomic spectroscopic detection techniques and was found to offer substantial improvement over the alternative on-line, detection methods in terms of LODs. Representative applications of the HPLC-DIN-ICP-AES system to the elemental speciation of coal process streams, shale oil, solvent refined coal, and crude oil are presented

  11. Using the Model Coupling Toolkit to couple earth system models

    Science.gov (United States)

    Warner, J.C.; Perlin, N.; Skyllingstad, E.D.

    2008-01-01

    Continued advances in computational resources are providing the opportunity to operate more sophisticated numerical models. Additionally, there is an increasing demand for multidisciplinary studies that include interactions between different physical processes. Therefore there is a strong desire to develop coupled modeling systems that utilize existing models and allow efficient data exchange and model control. The basic system would entail model "1" running on "M" processors and model "2" running on "N" processors, with efficient exchange of model fields at predetermined synchronization intervals. Here we demonstrate two coupled systems: the coupling of the ocean circulation model Regional Ocean Modeling System (ROMS) to the surface wave model Simulating WAves Nearshore (SWAN), and the coupling of ROMS to the atmospheric model Coupled Ocean Atmosphere Prediction System (COAMPS). Both coupled systems use the Model Coupling Toolkit (MCT) as a mechanism for operation control and inter-model distributed memory transfer of model variables. In this paper we describe requirements and other options for model coupling, explain the MCT library, ROMS, SWAN and COAMPS models, methods for grid decomposition and sparse matrix interpolation, and provide an example from each coupled system. Methods presented in this paper are clearly applicable for coupling of other types of models. ?? 2008 Elsevier Ltd. All rights reserved.

  12. Projected coupled cluster theory.

    Science.gov (United States)

    Qiu, Yiheng; Henderson, Thomas M; Zhao, Jinmo; Scuseria, Gustavo E

    2017-08-14

    Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system or has to artificially break certain symmetries. On the other hand, projected Hartree-Fock theory captures the essential physics of many kinds of strong correlations via symmetry breaking and restoration. In this work, we combine and try to retain the merits of these two methods by applying symmetry projection to broken symmetry coupled cluster wave functions. The non-orthogonal nature of states resulting from the application of symmetry projection operators furnishes particle-hole excitations to all orders, thus creating an obstacle for the exact evaluation of overlaps. Here we provide a solution via a disentanglement framework theory that can be approximated rigorously and systematically. Results of projected coupled cluster theory are presented for molecules and the Hubbard model, showing that spin projection significantly improves unrestricted coupled cluster theory while restoring good quantum numbers. The energy of projected coupled cluster theory reduces to the unprojected one in the thermodynamic limit, albeit at a much slower rate than projected Hartree-Fock.

  13. Coupling of the core simulator DYN3D with the CFD solver TrioU and its application to a Main Steamline Break scenario

    Energy Technology Data Exchange (ETDEWEB)

    Grahn, Alexander; Gommlich, Andre; Kliem, Soeren [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Reactor Safety

    2017-06-01

    In the framework of the European project NURESAFE, the reactor dynamics code DYN3D developed at HZDR was coupled with the CFD solver TrioU from CEA France. This coupling was used to simulate the coolant mixing in the reactor pressure vessel and in the core during a Main Steamline Break (MSLB) accident and to study its effect on the reactor power.

  14. A multi-port power electronics interface for battery powered electric vehicles: Application of inductively coupled wireless power transfer and hybrid energy storage system

    Science.gov (United States)

    McDonough, Matthew Kelly

    Climate change, pollution, and geopolitical conflicts arising from the extreme wealth concentrations caused by fossil fuel deposits are just a few of the side-effects of the way that we fuel our society. A new method to power our civilization is becoming more and more necessary. Research for new, more sustainable fuel sources is already underway due to research in wind, solar, geothermal, and hydro power. However this focus is mainly on stationary applications. A large portion of fossil fuel usage comes from transportation. Unfortunately, the transition to cleaner transportation fuels is being stunted by the inability to store adequate amounts of energy in electro-chemical batteries. The idea of charging while driving has been proposed by many researchers, however several challenges still exist. In this work some of these challenges are addressed. Specifically, the ability to route power from multiple sources/loads is investigated. Special attention is paid to adjusting the time constant of particular converters, namely the battery and ultra-capacitor converters to reduce the high frequency and high magnitude current components applied to the battery terminals. This is done by developing a closed loop model of the entire multi-port converter, including the state of charge of the ultra-capacitors. The development of closed loop models and two experimental testbeds for use as stationary vehicle charging platforms with their unique set of sources/loads are presented along-side an on-board charger to demonstrate the similarities and differences between stationary charging and mobile charging. Experimental results from each are given showing that it is not only possible, but feasible to utilize Inductively Coupled Wireless Power Transfer (ICWPT) to charge a battery powered electric vehicle while driving and still protect the life-span of the batteries under the new, harsher conditions generated by the ICWPT system.

  15. Fast and simultaneous determination of 1 H-1 H and 1 H-19 F scalar couplings in complex spin systems: Application of PSYCHE homonuclear broadband decoupling.

    Science.gov (United States)

    Kakita, Veera Mohana Rao; Rachineni, Kavitha; Hosur, Ramakrishna V

    2017-07-21

    The present manuscript focuses on fast and simultaneous determination of 1 H- 1 H and 1 H- 19 F scalar couplings in fluorinated complex steroid molecules. Incorporation of broadband PSYCHE homonuclear decoupling in the indirect dimension of zero-quantum filtered diagonal experiments (F1-PSYCHE-DIAG) suppresses 1 H- 1 H scalar couplings; however, it retains 1 H- 19 F scalar couplings (along F1 dimension) for the 19 F coupled protons while preserving the pure-shift nature for 1 H resonances uncoupled to 19 F. In such cases, along the direct dimensions, 1 H- 1 H scalar coupling multiplets deconvolute and they appear as duplicated multiplets for the 19 F coupled protons, which facilitates unambiguous discrimination of 19 F coupled 1 H chemical sites from the others. Further, as an added advantage, data acquisition has been accelerated by invoking the known ideas of spectral aliasing in the F1-PSYCHE-DIAG scheme and experiments demand only ~10 min of spectrometer times. Copyright © 2017 John Wiley & Sons, Ltd.

  16. Gay and lesbian couples in Italy: comparisons with heterosexual couples.

    Science.gov (United States)

    Antonelli, Paolo; Dèttore, Davide; Lasagni, Irene; Snyder, Douglas K; Balderrama-Durbin, Christina

    2014-12-01

    Assessing couple relationships across diverse languages and cultures has important implications for both clinical intervention and prevention. This is especially true for nontraditional relationships potentially subject to various expressions of negative societal evaluation or bias. Few empirically validated measures of relationship functioning have been developed for cross-cultural applications, and none have been examined for their psychometric sufficiency for evaluating same-sex couples across different languages and cultures. The current study examined the psychometric properties of an Italian translation of the Marital Satisfaction Inventory - Revised (MSI-R), a 150-item 13-scale measure of couple relationship functioning, for its use in assessing the intimate relationships of gay and lesbian couples in Italy. Results for these couples were compared to data from heterosexual married and unmarried cohabiting couples from the same geographical region, as well as to previously published data for gay, lesbian, and unmarried heterosexual couples from the United States. Findings suggest that, despite unique societal pressures confronting Italian same-sex couples, these relationships appear resilient and fare well both overall and in specific domains of functioning compared to heterosexual couples both in Italy and the United States. © 2014 Family Process Institute.

  17. Techniques for asynchronous and periodically-synchronous coupling of atmosphere and ocean models. Pt. 1. General strategy and application to the cyclo-stationary case

    Energy Technology Data Exchange (ETDEWEB)

    Sausen, R [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Physik der Atmosphaere; Voss, R [Deutsches Klimarechenzentrum (DKRZ), Hamburg (Germany)

    1995-07-01

    Asynchronous and periodically-synchronous schemes for coupling atmosphere and ocean models are presented. The performance of the schemes is tested by simulating the climatic response to a step function forcing and to a gradually increasing forcing with a simple zero-dimensional non-linear energy balance model. Both the initial transient response and the asymptotic approach of the equilibrium state are studied. If no annual cycle is allowed the asynchronous coupling technique proves to be a suitable tool. However, if the annual cycle is retained, the periodically-synchronous coupling technique reproduces the results of the synchronously coupled runs with smaller bias. In this case it is important that the total length of one synchronous period and one ocean only period is not a multiple of 6 months. (orig.)

  18. The application of a dynamic OpenMI coupling between a regional climate model and a distributed surface water-groundwater model

    DEFF Research Database (Denmark)

    Butts, Michael; Drews, Martin; Larsen, Morten Andreas Dahl

    2014-01-01

    To support climate adaptation measures for water resources, we have developed and evaluated a dynamic coupling between a comprehensive distributed hydrological modelling system, MIKE SHE, and a regional climate modelling system, HIRHAM. The coupled model enables two-way interaction between the at......, including local measurements of energy fluxes. The results presented here suggest that there may be important differences in the simulated water balances for this catchment created by introducing an alternative hydrological model into the RCM....

  19. Implementation of a Loosely-Coupled Lockstep Approach in the Xilinx Zynq-7000 All Programmable SoC for High Consequence Applications

    Science.gov (United States)

    2017-03-01

    Programmable SoC™ is made possible through the use of ARM® Cortex ™-A9 MPCore™ Asymmetric Multiprocessing; processor configurations utilizing the...core ARM Cortex -A9 MPCore based Processing System (PS) and Programmable Logic (PL) portions. These features allow for two processors to run...SoC™ precludes a tightly-coupled lockstep approach between the two processors . Therefore, a loosely-coupled lockstep approach implemented by a

  20. Resonant coupling applied to superconducting accelerator structures

    International Nuclear Information System (INIS)

    Potter, James M.; Krawczyk, Frank L.

    2013-01-01

    The concept of resonant coupling and the benefits that accrue from its application is well known in the world of room temperature coupled cavity linacs. Design studies show that it can be applied successfully between sections of conventional elliptical superconducting coupled cavity accelerator structures and internally to structures with spoked cavity resonators. The coupling mechanisms can be designed without creating problems with high field regions or multipactoring. The application of resonant coupling to superconducting accelerators eliminates the need for complex cryogenic mechanical tuners and reduces the time needed to bring a superconducting accelerator into operation.

  1. Shallow water table effects on water, sediment, and pesticide transport in vegetative filter strips - Part 2: model coupling, application, factor importance, and uncertainty

    Science.gov (United States)

    Lauvernet, Claire; Muñoz-Carpena, Rafael

    2018-01-01

    Vegetative filter strips are often used for protecting surface waters from pollution transferred by surface runoff in agricultural watersheds. In Europe, they are often prescribed along the stream banks, where a seasonal shallow water table (WT) could decrease the buffer zone efficiency. In spite of this potentially important effect, there are no systematic experimental or theoretical studies on the effect of this soil boundary condition on the VFS efficiency. In the companion paper (Muñoz-Carpena et al., 2018), we developed a physically based numerical algorithm (SWINGO) that allows the representation of soil infiltration with a shallow water table. Here we present the dynamic coupling of SWINGO with VFSMOD, an overland flow and transport mathematical model to study the WT influence on VFS efficiency in terms of reductions of overland flow, sediment, and pesticide transport. This new version of VFSMOD was applied to two contrasted benchmark field studies in France (sandy-loam soil in a Mediterranean semicontinental climate, and silty clay in a temperate oceanic climate), where limited testing of the model with field data on one of the sites showed promising results. The application showed that for the conditions of the studies, VFS efficiency decreases markedly when the water table is 0 to 1.5 m from the surface. In order to evaluate the relative importance of WT among other input factors controlling VFS efficiency, global sensitivity and uncertainty analysis (GSA) was applied on the benchmark studies. The most important factors found for VFS overland flow reduction were saturated hydraulic conductivity and WT depth, added to sediment characteristics and VFS dimensions for sediment and pesticide reductions. The relative importance of WT varied as a function of soil type (most important at the silty-clay soil) and hydraulic loading (rainfall + incoming runoff) at each site. The presence of WT introduced more complex responses dominated by strong interactions in

  2. Inverse Problem for 3D coupled Flow-Geomechanics Models and Induced Seismicity: Application to Subsurface Characterization and Seismicity Forecasting in Geologic CO2 Storage

    Science.gov (United States)

    Castineira, D.; Jha, B.; Juanes, R.

    2016-12-01

    Carbon Capture and Sequestration (CCS) is regarded as a promising technology to mitigate rising CO2 concentrations in the atmosphere from industrial emissions. However, as a result of the inherent uncertainty that is present in geological structures, assessing the stability of geological faults and quantifying the potential for induced seismicity is a fundamental challenge for practical implementation of CCS. Here we present a formal framework for the solution of the inverse problem associated with coupled flow and geomechanics models of CO2 injection and subsurface storage. Our approach builds from the application of Gaussian Processes, MCMC and posterior predictive analysis to evaluate relevant earthquake attributes (earthquake time, location and magnitude) in 3D synthetic models of CO2 storage under geologic, observational and operational uncertainty. In our approach, we first conduct hundreds of simulations of a high-fidelity 3D computational model for CO2 injection into a deep saline aquifer, dominated by an anticline structure and a fault. This ensemble of realizations accounts for uncertainty in the model parameters (including fault geomechanical and rock properties) and observations (earthquake time, location and magnitude). We apply Gaussian processes (GP) to generate a valid surrogate that closely approximates the behavior of the high fidelity (and computationally intensive) model, and apply hyperparameter optimization and cross-validation techniques in the solution of this multidimensional data-fit problem. The net result of this process is the generation of a fast model that can be effectively used for Bayesian analysis. We then implement Markov chain Monte Carlo (MCMC) to determine the posterior distribution of the model uncertain parameters (given some prior distributions for those parameters and given the likelihood defined in this case by the GP model). Our results show that the resulting posterior distributions correctly converge towards the "true

  3. Shallow water table effects on water, sediment, and pesticide transport in vegetative filter strips – Part 2: model coupling, application, factor importance, and uncertainty

    Directory of Open Access Journals (Sweden)

    C. Lauvernet

    2018-01-01

    Full Text Available Vegetative filter strips are often used for protecting surface waters from pollution transferred by surface runoff in agricultural watersheds. In Europe, they are often prescribed along the stream banks, where a seasonal shallow water table (WT could decrease the buffer zone efficiency. In spite of this potentially important effect, there are no systematic experimental or theoretical studies on the effect of this soil boundary condition on the VFS efficiency. In the companion paper (Muñoz-Carpena et al., 2018, we developed a physically based numerical algorithm (SWINGO that allows the representation of soil infiltration with a shallow water table. Here we present the dynamic coupling of SWINGO with VFSMOD, an overland flow and transport mathematical model to study the WT influence on VFS efficiency in terms of reductions of overland flow, sediment, and pesticide transport. This new version of VFSMOD was applied to two contrasted benchmark field studies in France (sandy-loam soil in a Mediterranean semicontinental climate, and silty clay in a temperate oceanic climate, where limited testing of the model with field data on one of the sites showed promising results. The application showed that for the conditions of the studies, VFS efficiency decreases markedly when the water table is 0 to 1.5 m from the surface. In order to evaluate the relative importance of WT among other input factors controlling VFS efficiency, global sensitivity and uncertainty analysis (GSA was applied on the benchmark studies. The most important factors found for VFS overland flow reduction were saturated hydraulic conductivity and WT depth, added to sediment characteristics and VFS dimensions for sediment and pesticide reductions. The relative importance of WT varied as a function of soil type (most important at the silty-clay soil and hydraulic loading (rainfall + incoming runoff at each site. The presence of WT introduced more complex responses dominated by strong

  4. Three Mile Island Unit 1 Main Steam Line Break Three-Dimensional Neutronics/Thermal-Hydraulics Analysis: Application of Different Coupled Codes

    International Nuclear Information System (INIS)

    D'Auria, Francesco; Moreno, Jose Luis Gago; Galassi, Giorgio Maria; Grgic, Davor; Spadoni, Antonino

    2003-01-01

    A comprehensive analysis of the double ended main steam line break (MSLB) accident assumed to occur in the Babcock and Wilcox Three Mile Island Unit 1 (TMI-1) has been carried out at the Dipartimento di Ingegneria Meccanica, Nucleare e della Produzione of the University of Pisa, Italy, in cooperation with the University of Zagreb, Croatia. The overall activity has been completed within the framework of the participation in the Organization for Economic Cooperation and Development-Committee on the Safety of Nuclear Installations-Nuclear Science Committee pressurized water reactor MSLB benchmark.Thermal-hydraulic system codes (various versions of Relap5), three-dimensional (3-D) neutronics codes (Parcs, Quabbox, and Nestle), and one subchannel code (Cobra) have been adopted for the analysis. Results from the following codes (or code versions) are assumed as reference:1. Relap5/mod3.2.2, beta version, coupled with the 3-D neutron kinetics Parcs code parallel virtual machine (PVM) coupling2. Relap5/mod3.2.2, gamma version, coupled with the 3-D neutron kinetics Quabbox code (direct coupling)3. Relap5/3D code coupled with the 3-D neutron kinetics Nestle code.The influence of PVM and of direct coupling is also discussed.Boundary and initial conditions of the system, including those relevant to the fuel status, have been supplied by Pennsylvania State University in cooperation with GPU Nuclear Corporation (the utility, owner of TMI) and the U.S. Nuclear Regulatory Commission. The comparison among the results obtained by adopting the same thermal-hydraulic nodalization and the coupled code version is discussed in this paper.The capability of the control rods to recover the accident has been demonstrated in all the cases as well as the capability of all the codes to predict the time evolution of the assigned transient. However, one stuck control rod caused some 'recriticality' or 'return to power' whose magnitude is largely affected by boundary and initial conditions

  5. Applicability of a septic tank/engineered wetland coupled system in the treatment and recycling of wastewater from a small community.

    Science.gov (United States)

    Mbuligwe, Stephen E

    2005-01-01

    A septic tank (ST)/engineered wetland coupled system used to treat and recycle wastewater from a small community in Dar es Salaam, Tanzania was monitored to assess its performance. The engineered wetland system (EWS) had two parallel units each with two serial beds packed with different sizes of media and vegetated differently. The larger-sized medium bed was upstream and was planted with Phragmites (reeds) and the smaller-sized medium bed was downstream and was planted with Typha (cattails). The ST/EWS coupled system was able to remove ammonia by an average of 60%, nitrate by 71%, sulfate by 55%, chemical oxygen demand by 91%, and fecal coliform as well as total coliform by almost 100%. The effluent from the ST/EWS coupled system is used for irrigation. Notably, users of the recycled irrigation water do not harbor any negative feelings about it. This study demonstrates that it is possible to treat and recycle domestic wastewater using ST/ EWS coupled systems. The study also brings attention to the fact that an ST/EWS coupled system has operation and maintenance (O&M) needs that must be fulfilled for its effectiveness and acceptability. These include removal of unwanted weeds, harvesting of wetland plants when the EWS becomes unappealingly bushy, and routine repair.

  6. Relaxation dynamics of a driven two-level system coupled to a Bose-Einstein condensate: application to quantum dot-dipolar exciton gas hybrid systems.

    Science.gov (United States)

    Kovalev, Vadim M; Tse, Wang-Kong

    2017-11-22

    We develop a microscopic theory for the relaxation dynamics of an optically pumped two-level system (TLS) coupled to a bath of weakly interacting Bose gas. Using Keldysh formalism and diagrammatic perturbation theory, expressions for the relaxation times of the TLS Rabi oscillations are derived when the boson bath is in the normal state and the Bose-Einstein condensate (BEC) state. We apply our general theory to consider an irradiated quantum dot coupled with a boson bath consisting of a two-dimensional dipolar exciton gas. When the bath is in the BEC regime, relaxation of the Rabi oscillations is due to both condensate and non-condensate fractions of the bath bosons for weak TLS-light coupling and pre dominantly due to the non-condensate fraction for strong TLS-light coupling. Our theory also shows that a phase transition of the bath from the normal to the BEC state strongly influences the relaxation rate of the TLS Rabi oscillations. The TLS relaxation rate is approximately independent of the pump field frequency and monotonically dependent on the field strength when the bath is in the low-temperature regime of the normal phase. Phase transition of the dipolar exciton gas leads to a non-monotonic dependence of the TLS relaxation rate on both the pump field frequency and field strength, providing a characteristic signature for the detection of BEC phase transition of the coupled dipolar exciton gas.

  7. A mathematical model for predicting photo-induced voltage and photostriction of PLZT with coupled multi-physics fields and its application

    International Nuclear Information System (INIS)

    Huang, J H; Wang, X J; Wang, J

    2016-01-01

    The primary purpose of this paper is to propose a mathematical model of PLZT ceramic with coupled multi-physics fields, e.g. thermal, electric, mechanical and light field. To this end, the coupling relationships of multi-physics fields and the mechanism of some effects resulting in the photostrictive effect are analyzed theoretically, based on which a mathematical model considering coupled multi-physics fields is established. According to the analysis and experimental results, the mathematical model can explain the hysteresis phenomenon and the variation trend of the photo-induced voltage very well and is in agreement with the experimental curves. In addition, the PLZT bimorph is applied as an energy transducer for a photovoltaic–electrostatic hybrid actuated micromirror, and the relation of the rotation angle and the photo-induced voltage is discussed based on the novel photostrictive mathematical model. (paper)

  8. Identification of a time-varying point source in a system of two coupled linear diffusion-advection- reaction equations: application to surface water pollution

    International Nuclear Information System (INIS)

    Hamdi, Adel

    2009-01-01

    This paper deals with the identification of a point source (localization of its position and recovering the history of its time-varying intensity function) that constitutes the right-hand side of the first equation in a system of two coupled 1D linear transport equations. Assuming that the source intensity function vanishes before reaching the final control time, we prove the identifiability of the sought point source from recording the state relative to the second coupled transport equation at two observation points framing the source region. Note that at least one of the two observation points should be strategic. We establish an identification method that uses these records to identify the source position as the root of a continuous and strictly monotonic function. Whereas the source intensity function is recovered using a recursive formula without any need of an iterative process. Some numerical experiments on a variant of the surface water pollution BOD–OD coupled model are presented

  9. A coupled diffusion-transport computational method and its application for the determination of space dependent angular flux distributions at a cold neutron source

    International Nuclear Information System (INIS)

    Turgut, M.H.

    1985-01-01

    A fast calculation program ''BRIDGE'' was developed for the calculation of a Cold Neutron Source (CNS) at a radial beam tube of the FRG-I reactor, which couples a total assembly diffusion calculation to a transport calculation for a certain subregion. For the coupling flux and current boundary values at the common surfaces are taken from the diffusion calculation and are used as driving conditions in the transport calculation. 'Equivalence Theorie' is used for the transport feedback effect on the diffusion calculation to improve the consistency of the boundary values. The optimization of a CNS for maximizing the subthermal flux in the wavelength range 4 - 6 A is discussed. (orig.) [de

  10. Magnetically Coupled Calorimeters

    Science.gov (United States)

    Bandler, Simon

    2011-01-01

    Calorimeters that utilize the temperature sensitivity of magnetism have been under development for over 20 years. They have targeted a variety of different applications that require very high resolution spectroscopy. I will describe the properties of this sensor technology that distinguish it from other low temperature detectors and emphasize the types of application to which they appear best suited. I will review what has been learned so far about the best materials, geometries, and read-out amplifiers and our understanding of the measured performance and theoretical limits. I will introduce some of the applications where magnetic calorimeters are being used and also where they are in development for future experiments. So far, most magnetic calorimeter research has concentrated on the use of paramagnets to provide temperature sensitivity; recent studies have also focused on magnetically coupled calorimeters that utilize the diamagnetic response of superconductors. I will present some of the highlights of this research, and contrast the properties of the two magnetically coupled calorimeter types.

  11. The application of HPLC with on-line coupled UV/MS-biochemical detection for isolation of an acetylcholinesterase inhibitor from Narcissus 'Sir Winston Churchill'

    NARCIS (Netherlands)

    Ingkaninan, K.; Hazekamp, A.; de Best, C.M.; Irth, H.; Tjaden, U.R.; van der Heijden, R.; van der Greef, J.; Verpoorte, R.

    2000-01-01

    An HPLC with on-line coupled UV/MS-biochemical detection method for acetylcholinesterase (AChE) inhibitors in natural sources has been developed. The potential of this method is shown by the isolation of a new AChE inhibitor from the alcoholic extract of Narcissus 'Sir Winston Churchill'. Combining

  12. Historical framework to explain long-term coupled human and natural system feedbacks: application to a multiple-ownership forest landscape in the northern Great Lakes region, USA

    Science.gov (United States)

    Michelle M. Steen-Adams; Nancy Langston; Mark D. O. Adams; David J. Mladenoff

    2015-01-01

    Current and future human and forest landscape conditions are influenced by the cumulative, unfolding history of socialecological interactions. Examining past system responses, especially unintended consequences, can reveal valuable insights that promote learning and adaptation in forest policy and management. Temporal couplings are complex, however; they can be...

  13. Quick torque coupling

    Science.gov (United States)

    Luft, Peter A [El Cerrito, CA

    2009-05-12

    A coupling for mechanically connecting modular tubular struts of a positioning apparatus or space frame, comprising a pair of toothed rings (10, 12) attached to separate strut members (16), the teeth (18, 20) of the primary rings (10, 12) mechanically interlocking in both an axial and circumferential manner, and a third part comprising a sliding, toothed collar (14) the teeth (22) of which interlock the teeth (18, 20) of the primary rings (10, 12), preventing them from disengaging, and completely locking the assembly together. A secondary mechanism provides a nesting force for the collar, and/or retains it. The coupling is self-contained and requires no external tools for installation, and can be assembled with gloved hands in demanding environments. No gauging or measured torque is required for assembly. The assembly can easily be visually inspected to determine a "go" or "no-go" status. The coupling is compact and relatively light-weight. Because of it's triply interlocking teeth, the connection is rigid. The connection does not primarily rely on clamps, springs or friction based fasteners, and is therefore reliable in fail-safe applications.

  14. Warthog: Coupling Status Update

    Energy Technology Data Exchange (ETDEWEB)

    Hart, Shane W. D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Reardon, Bradley T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-06-30

    The Warthog code was developed to couple codes that are developed in both the Multi-Physics Object-Oriented Simulation Environment (MOOSE) from Idaho National Laboratory (INL) and SHARP from Argonne National Laboratory (ANL). The initial phase of this work, focused on coupling the neutronics code PROTEUS with the fuel performance code BISON. The main technical challenge involves mapping the power density solution determined by PROTEUS to the fuel in BISON. This presents a challenge since PROTEUS uses the MOAB mesh format, but BISON, like all other MOOSE codes, uses the libMesh format. When coupling the different codes, one must consider that Warthog is a light-weight MOOSE-based program that uses the Data Transfer Kit (DTK) to transfer data between the various mesh types. Users set up inputs for the codes they want to run, and then Warthog transfers the data between them. Currently Warthog supports XSProc from SCALE or the Sub-Group Application Programming Interface (SGAPI) in PROTEUS for generating cross sections. It supports arbitrary geometries using PROTEUS and BISON. DTK will transfer power densities and temperatures between the codes where the domains overlap. In the past fiscal year (FY), much work has gone into demonstrating two-way coupling for simple pin cells of various materials. XSProc was used to calculate the cross sections, which were then passed to PROTEUS in an external file. PROTEUS calculates the fission/power density, and Warthog uses DTK to pass this information to BISON, where it is used as the heat source. BISON then calculates the temperature profile of the pin cell and sends it back to XSProc to obtain the temperature corrected cross sections. This process is repeated until the convergence criteria (tolerance on BISON solve, or number of time steps) is reached. Models have been constructed and run for both uranium oxide and uranium silicide fuels. These models demonstrate a clear difference in power shape that is not accounted for in a

  15. A computational method for the coupled solution of reaction-diffusion equations on evolving domains and manifolds: Application to a model of cell migration and chemotaxis.

    Science.gov (United States)

    MacDonald, G; Mackenzie, J A; Nolan, M; Insall, R H

    2016-03-15

    In this paper, we devise a moving mesh finite element method for the approximate solution of coupled bulk-surface reaction-diffusion equations on an evolving two dimensional domain. Fundamental to the success of the method is the robust generation of bulk and surface meshes. For this purpose, we use a novel moving mesh partial differential equation (MMPDE) approach. The developed method is applied to model problems with known analytical solutions; these experiments indicate second-order spatial and temporal accuracy. Coupled bulk-surface problems occur frequently in many areas; in particular, in the modelling of eukaryotic cell migration and chemotaxis. We apply the method to a model of the two-way interaction of a migrating cell in a chemotactic field, where the bulk region corresponds to the extracellular region and the surface to the cell membrane.

  16. Application of Multiphysics Coupling FEM on Open Wellbore Shrinkage and Casing Remaining Strength in an Incomplete Borehole in Deep Salt Formation

    OpenAIRE

    Tong, Hua; Guo, Daqiang; Zhu, Xiaohua

    2015-01-01

    Drilling and completing wells in deep salt stratum are technically challenging and costing, as when serving in an incomplete borehole in deep salt formation, well casing runs a high risk of collapse. To quantitatively calculate casing remaining strength under this harsh condition, a three-dimensional mechanical model is developed; then a computational model coupled with interbed salt rock-defective cement-casing and HPHT (high pressure and high temperature) is established and analyzed using m...

  17. Application of High-Performance Liquid Chromatography Coupled with Linear Ion Trap Quadrupole Orbitrap Mass Spectrometry for Qualitative and Quantitative Assessment of Shejin-Liyan Granule Supplements

    OpenAIRE

    Jifeng Gu; Weijun Wu; Mengwei Huang; Fen Long; Xinhua Liu; Yizhun Zhu

    2018-01-01

    A method for high-performance liquid chromatography coupled with linear ion trap quadrupole Orbitrap high-resolution mass spectrometry (HPLC-LTQ-Orbitrap MS) was developed and validated for the qualitative and quantitative assessment of Shejin-liyan Granule. According to the fragmentation mechanism and high-resolution MS data, 54 compounds, including fourteen isoflavones, eleven ligands, eight flavonoids, six physalins, six organic acids, four triterpenoid saponins, two xanthones, two alkaloi...

  18. RF and microwave coupled-line circuits

    CERN Document Server

    Mongia, R K; Bhartia, P; Hong, J; Gupta, K C

    2007-01-01

    This extensively revised edition of the 1999 Artech House classic, RF and Microwave Coupled-Line Circuits, offers you a thoroughly up-to-date understanding of coupled line fundamentals, explaining their applications in designing microwave and millimeter-wave components used in today's communications, microwave, and radar systems. The Second Edition includes a wealth of new material, particularly relating to applications. You find brand new discussions on a novel simple design technique for multilayer coupled circuits, high pass filters using coupled lines, software packages used for filter des

  19. TOUGH2Biot - A simulator for coupled thermal-hydrodynamic-mechanical processes in subsurface flow systems: Application to CO2 geological storage and geothermal development

    Science.gov (United States)

    Lei, Hongwu; Xu, Tianfu; Jin, Guangrong

    2015-04-01

    Coupled thermal-hydrodynamic-mechanical processes have become increasingly important in studying the issues affecting subsurface flow systems, such as CO2 sequestration in deep saline aquifers and geothermal development. In this study, a mechanical module based on the extended Biot consolidation model was developed and incorporated into the well-established thermal-hydrodynamic simulator TOUGH2, resulting in an integrated numerical THM simulation program TOUGH2Biot. A finite element method was employed to discretize space for rock mechanical calculation and the Mohr-Coulomb failure criterion was used to determine if the rock undergoes shear-slip failure. Mechanics is partly coupled with the thermal-hydrodynamic processes and gives feedback to flow through stress-dependent porosity and permeability. TOUGH2Biot was verified against analytical solutions for the 1D Terzaghi consolidation and cooling-induced subsidence. TOUGH2Biot was applied to evaluate the thermal, hydrodynamic, and mechanical responses of CO2 geological sequestration at the Ordos CCS Demonstration Project, China and geothermal exploitation at the Geysers geothermal field, California. The results demonstrate that TOUGH2Biot is capable of analyzing change in pressure and temperature, displacement, stress, and potential shear-slip failure caused by large scale underground man-made activity in subsurface flow systems. TOUGH2Biot can also be easily extended for complex coupled process problems in fractured media and be conveniently updated to parallel versions on different platforms to take advantage of high-performance computing.

  20. Genealogical electronic coupling procedure incorporating the Hartree--Fock interacting space and suitable for degenerate point groups. Application to excited states of BH3

    International Nuclear Information System (INIS)

    Swope, W.C.; Schaefer, H.F. III; Yarkony, D.R.

    1980-01-01

    The use of Clebsch--Gordan-type coupling coefficients for finite point groups is applied to the problem of constructing symmetrized N-electron wave functions (configurations) for use by the Hartree--Fock SCF and CI methods of determining electronic wave functions for molecular systems. The configurations are eigenfunctions of electronic spin operators, and transform according to a particular irreducible representation of the relevant group of spatial operations which leave the Born--Oppenheimer Hamiltonian invariant. The method proposed for constructing the configurations involves a genealogical coupling procedure. It is particularly useful for studies of molecules which belong to a group which has multiply degenerate irreducible representations. The advantage of the method is that it results in configurations which are real linear combinations of determinants of real symmetry orbitals. This procedure for constructing configurations also allows for the identification of configurations which have no matrix element of the Hamiltonian with a reference configuration. It is therefore possible to construct a Hartree--Fock interacting space of configurations which can speed the convergence of a CI wave function. The coupling method is applied to a study of the ground and two excited electronic states of BH 3 in its D/sub 3h/ geometry. The theoretical approach involved Hartree--Fock SCF calculations followed by single and double substitution CI calculations, both of which employed double-zeta plus polarization quality basis sets

  1. Application of femtosecond laser ablation inductively coupled plasma mass spectrometry for quantitative analysis of thin Cu(In,Ga)Se{sub 2} solar cell films

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seokhee [School of Mechatronics, Gwangju Institute of Science and Technology, 1 Oryong-dong, Buk-gu, Gwangju 500-712 (Korea, Republic of); Gonzalez, Jhanis J. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Applied Spectra Inc., 46665 Fremont Boulevard, Fremont, CA 94538 (United States); Yoo, Jong H. [Applied Spectra Inc., 46665 Fremont Boulevard, Fremont, CA 94538 (United States); Chirinos, Jose R. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Facultad de Ciencias, Universidad Central de Venezuela, Caracas 1041A (Venezuela, Bolivarian Republic of); Russo, Richard E. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Applied Spectra Inc., 46665 Fremont Boulevard, Fremont, CA 94538 (United States); Jeong, Sungho, E-mail: shjeong@gist.ac.kr [School of Mechatronics, Gwangju Institute of Science and Technology, 1 Oryong-dong, Buk-gu, Gwangju 500-712 (Korea, Republic of)

    2015-02-27

    This work reports that the composition of Cu(In,Ga)Se{sub 2} (CIGS) thin solar cell films can be quantitatively predicted with high accuracy and precision by femtosecond laser ablation-inductively coupled plasma-mass spectrometry (fs-LA-ICP-MS). It is demonstrated that the results are strongly influenced by sampling conditions during fs-laser beam (λ = 1030 nm, τ = 450 fs) scanning on the CIGS surface. The fs-LA-ICP-MS signals measured at optimal sampling conditions generally provide a straight line calibration with respect to the reference concentrations measured by inductively coupled plasma optical emission spectroscopy (ICP-OES). The concentration ratios predicted by fs-LA-ICP-MS showed high accuracy, to 95–97% of the values measured with ICP-OES, for Cu, In, Ga, and Se elements. - Highlights: • Laser ablation inductively coupled plasma mass spectrometry of thin film is reported. • Concentration ratio prediction with a confidence level of 95–97% is achieved. • Quantitative determination of composition is demonstrated.

  2. Implementation of the vortex force formalism in the coupled ocean-atmosphere-wave-sediment transport (COAWST) modeling system for inner shelf and surf zone applications

    Science.gov (United States)

    Kumar, Nirnimesh; Voulgaris, George; Warner, John C.; Olabarrieta, Maitane

    2012-01-01

    The coupled ocean-atmosphere-wave-sediment transport modeling system (COAWST) enables simulations that integrate oceanic, atmospheric, wave and morphological processes in the coastal ocean. Within the modeling system, the three-dimensional ocean circulation module (ROMS) is coupled with the wave generation and propagation model (SWAN) to allow full integration of the effect of waves on circulation and vice versa. The existing wave-current coupling component utilizes a depth dependent radiation stress approach. In here we present a new approach that uses the vortex force formalism. The formulation adopted and the various parameterizations used in the model as well as their numerical implementation are presented in detail. The performance of the new system is examined through the presentation of four test cases. These include obliquely incident waves on a synthetic planar beach and a natural barred beach (DUCK' 94); normal incident waves on a nearshore barred morphology with rip channels; and wave-induced mean flows outside the surf zone at the Martha's Vineyard Coastal Observatory (MVCO).

  3. Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the ^{199}Hg Atom.

    Science.gov (United States)

    Sahoo, B K; Das, B P

    2018-05-18

    Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P,T-odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to ^{199}Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

  4. Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the 199Hg Atom

    Science.gov (United States)

    Sahoo, B. K.; Das, B. P.

    2018-05-01

    Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P ,T -odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P ,T -odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to 199Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

  5. A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

    Science.gov (United States)

    2016-02-29

    development a tightly coupled magneto-hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...Inductively Coupled Plasma (ICP) torches have wide range of possible applications which include deposition of metal coatings, synthesis of ultra-fine powders

  6. Measuring Relative Coupling Strength in Circadian Systems.

    Science.gov (United States)

    Schmal, Christoph; Herzog, Erik D; Herzel, Hanspeter

    2018-02-01

    Modern imaging techniques allow the monitoring of circadian rhythms of single cells. Coupling between these single cellular circadian oscillators can generate coherent periodic signals on the tissue level that subsequently orchestrate physiological outputs. The strength of coupling in such systems of oscillators is often unclear. In particular, effects on coupling strength by varying cell densities, by knockouts, and by inhibitor applications are debated. In this study, we suggest to quantify the relative coupling strength via analyzing period, phase, and amplitude distributions in ensembles of individual circadian oscillators. Simulations of different oscillator networks show that period and phase distributions become narrower with increasing coupling strength. Moreover, amplitudes can increase due to resonance effects. Variances of periods and phases decay monotonically with coupling strength, and can serve therefore as measures of relative coupling strength. Our theoretical predictions are confirmed by studying recently published experimental data from PERIOD2 expression in slices of the suprachiasmatic nucleus during and after the application of tetrodotoxin (TTX). On analyzing the corresponding period, phase, and amplitude distributions, we can show that treatment with TTX can be associated with a reduced coupling strength in the system of coupled oscillators. Analysis of an oscillator network derived directly from the data confirms our conclusions. We suggest that our approach is also applicable to quantify coupling in fibroblast cultures and hepatocyte networks, and for social synchronization of circadian rhythmicity in rodents, flies, and bees.

  7. Experimental studies and modelling of cation interactions with solid materials: application to the MIMICC project. (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes)

    International Nuclear Information System (INIS)

    Hardin, Emmanuelle

    1999-01-01

    The study of cation interactions with solid materials is useful in order to define the chemistry interaction component of the MIMICC project (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes). This project will validate the chemistry-transport coupled codes. Database have to be supplied on the cesium or ytterbium interactions with solid materials in suspension. The solid materials are: a strong cation exchange resin, a natural sand which presents small impurities, and a zirconium phosphate. The cation exchange resin is useful to check that the surface complexation theory can be applied on a pure cation exchanger. The sand is a natural material, and its isotherms will be interpreted using pure oxide-cation system data, such as pure silica-cation data. Then the study on the zirconium phosphate salt is interesting because of the increasing complexity in the processes (dissolution, sorption and co-precipitation). These data will enable to approach natural systems, constituted by several complex solids which can interfere on each other. These data can also be used for chemistry-transport coupled codes. Potentiometric titration, sorption isotherms, sorption kinetics, cation surface saturation curves are made, in order to obtain the different parameters relevant to the cation sorption at the solid surface, for each solid-electrolyte-cation system. The influence of different parameters such as ionic strength, pH, and electrolyte is estimated. All the experimental curves are fitted with FITEQL code based on the surface complexation theory using the constant capacitance model, in order to give a mechanistic interpretation of the ion retention phenomenon at the solid surface. The speciation curves of all systems are plotted, using the FITEQL code too. Systems with an increasing complexity are studied: dissolution, sorption and coprecipitation coexist in the cation-salt systems. Then the data obtained on each single solid, considered

  8. STURM: Resuspension mesocosms with realistic bottom shear stress and water column turbulence for benthic-pelagic coupling studies: Design and Applications

    Science.gov (United States)

    Sanford, L. P.; Porter, E.; Porter, F. S.; Mason, R. P.

    2016-02-01

    Shear TUrbulence Resuspension Mesocosm (STURM) tanks, with high instantaneous bottom shear stress and realistic water column mixing in a single system, allow more realistic benthic-pelagic coupling studies that include sediment resuspension. The 1 m3 tanks can be programmed to produce tidal or episodic sediment resuspension over extended time periods (e.g. 4 weeks), over muddy sediments with or without infaunal organisms. The STURM tanks use a resuspension paddle that produces uniform bottom shear stress across the sediment surface while gently mixing a 1 m deep overlying water column. The STURM tanks can be programmed to different magnitudes, frequencies, and durations of bottom shear stress (and thus resuspension) with proportional water column turbulence levels over a wide range of mixing settings for benthic-pelagic coupling experiments. Over eight STURM calibration settings, turbulence intensity ranged from 0.55 to 4.52 cm s-1, energy dissipation rate from 0.0032 to 2.65 cm2 s-3, the average bottom shear stress from 0.0068 to 0.19 Pa, and the instantaneous bottom shear stress from 0.07 to 2.0 Pa. Mixing settings can be chosen as desired and/or varied over the experiment, based on the scientific question at hand. We have used the STURM tanks for four 4-week benthic-pelagic coupling ecosystem experiments with tidal resuspension with or without infaunal bivalves, for stepwise erosion experiments with and without infaunal bivalves, for experiments on oyster biodeposit resuspension, to mimic storms overlain on tidal resuspension, and for experiments on the effects of varying frequency and duration of resuspension on the release of sedimentary contaminants. The large size of the tanks allows water quality and particle measurements using standard oceanographic instrumentation. The realistic scale and complexity of the contained ecosystems has revealed indirect feedbacks and responses that are not observable in smaller, less complex experimental systems.

  9. Improvement of intestinal absorption of forsythoside A and chlorogenic acid by different carboxymethyl chitosan and chito-oligosaccharide, application to Flos Lonicerae-Fructus Forsythiae herb couple preparations.

    Directory of Open Access Journals (Sweden)

    Wei Zhou

    Full Text Available The current study aims to investigate the effect of chitosan derivatives on the intestinal absorption and bioavailabilities of forsythoside A (FTA and Chlorogenic acid (CHA, the major active components in Flos Lonicerae-Fructus Forsythiae herb couple. Biopharmaceutics and pharmacokinetics properties of the two compounds have been characterized in vitro, in situ as well as in rats. Based on the identified biopharmaceutics characteristics of the two compounds, the effect of chitosan derivatives as an absorption enhancer on the intestinal absorption and pharmacokinetics of FTA and CHA in pure compound form as well as extract form were investigated in vitro, in situ and in vivo. Both FTA and CHA demonstrated very limited intestinal permeabilities, leading to oral bioavailabilities being only 0.50% and 0.13% in rats, respectively. Results from both in vitro, in situ as well as in vivo studies consistently indicated that Chito-oligosaccharide (COS at dosage of 25 mg/kg could enhance intestinal permeabilities significantly as well as the in vivo bioavailabilities of both FTA and CHA than CMCs in Flos Lonicerae-Fructus Forsythiae herb couple preparations, and was safe for gastrointestine from morphological observation. Besides, treatment with Flos Lonicerae-Fructus Forsythiae herb couple preparations with COS at the dosage of 25 mg/kg prevented MDCK damage after influenza virus propagation, which was significantly better than control. The current findings not only identified the usefulness of COS for the improved delivery of Flos Lonicerae-Fructus Forsythiae preparations but also demonstrated the importance of biopharmaceutical characterization in the dosage form development of traditional Chinese medicine.

  10. Development of a global river-coastal coupling model and its application to flood simulation in Asian mega-delta regions

    Science.gov (United States)

    Ikeuchi, Hiroaki; Hirabayashi, Yukiko; Yamazaki, Dai; Muis, Sanne; Ward, Philip; Verlaan, Martin; Winsemius, Hessel; Kanae, Shinjiro

    2017-04-01

    The world's mega-delta regions and estuaries are susceptible to various water-related disasters, such as river flooding and storm surge. Moreover, simultaneous occurrence of them would be more devastating than a situation where they occur in isolation. Therefore, it is important to provide information about compound risks of fluvial and coastal floods at a large scale, both their statistical dependency as well as their combined resulting flooding in delta regions. Here we report on a first attempt to address this issue globally by developing a method to couple a global river model (CaMa-Flood) and a global tide and surge reanalysis (GTSR) dataset. A state-of-the-art global river routing model, CaMa-Flood, was modified to represent varying sea levels due to tides and storm surges as downstream boundary condition, and the GTSR dataset was post-processed to serve as inputs to the CaMa-Flood river routing simulation and a long-term simulation was performed to incorporate the temporal dependency between coastal tide and surge on the one hand, and discharge on the other. The coupled model was validated against observations, showing better simulation results of water levels in deltaic regions than simulation without GTSR. For example in the Ganges Delta, correlation coefficients were increased by 0.06, and root mean square errors were reduced by 0.22 m. Global coupling simulations revealed that storm surges affected river water levels in coastal regions worldwide, especially in low-lying flat areas with increases in water level larger than 0.5 m. By employing enhanced storm surge simulation with tropical storm tracks, we also applied the model to examine impacts of past hurricane and cyclone storm events on river flood inundation.

  11. Application of Chan-Lam cross coupling for the synthesis of N-heterocyclic carbene precursors bearing strong electron donating or withdrawing groups

    Science.gov (United States)

    Huang, Liliang; He, Chengxiang; Sun, Zhihua

    2015-07-01

    Chan-Lam cross coupling allowed efficient synthesis of N,N’-disubstituted ortho-phenylene diamines bearing strong electron donating or withdrawing groups, such as nitro or methoxy groups, with moderate to high yields. These diamines can then be turned into N-heterocyclic carbene precursors after condensation with trimethyl orthoformate. The same strategy can also be utilized for the synthesis of N-monosubstituted aniline derivatives containing a functionalized ortho-aminomethyl group as intermediates for chiral 6-membered ring carbene precursors.

  12. Heterologous Expression of Phanerochaete chrysoporium Glyoxal Oxidase and its Application for the Coupled Reaction with Manganese Peroxidase to Decolorize Malachite Green

    Science.gov (United States)

    Son, Yu-Lim; Kim, Hyoun-Young; Thiyagarajan, Saravanakumar; Xu, Jing Jing

    2012-01-01

    cDNA of the glx1 gene encoding glyoxal oxidase (GLX) from Phanerochaete chrysosporium was isolated and expressed in Pichia pastoris. The recombinant GLX (rGLX) produces H2O2 over 7.0 nmol/min/mL using methyl glyoxal as a substrate. Use of rGLX as a generator of H2O2 improved the coupled reaction with recombinant manganese peroxidase resulting in decolorization of malachite green up to 150 µM within 90 min. PMID:23323052

  13. Application of Kolmogorov chain process theory to the case of reactors of several coupled zones (reflex reactors, reactors with two multiplying zones)

    International Nuclear Information System (INIS)

    Chikouche, M.; Haldy, P.A.

    1976-01-01

    The general theory of chain processes of Kolmogorov and Dmitriev can be used to obtain the expression for the generating function f for the probability distribution of the number of incidences recorded in a given sequence of disjoint time intervals. From this f it is possible to extract a theoretical formulation for most of methods of temporal analysis of neutron noise ('invariance-to-mean' Alpha Rossi I and II, interval distribution, etc.). This theory is extended to multiple coupled zone cases. (F.Q.)

  14. Application of a Coupled Vegetation Competition and Groundwater Simulation Model to Study Effects of Sea Level Rise and Storm Surges on Coastal Vegetation

    Directory of Open Access Journals (Sweden)

    Su Yean Teh

    2015-09-01

    Full Text Available Global climate change poses challenges to areas such as low-lying coastal zones, where sea level rise (SLR and storm-surge overwash events can have long-term effects on vegetation and on soil and groundwater salinities, posing risks of habitat loss critical to native species. An early warning system is urgently needed to predict and prepare for the consequences of these climate-related impacts on both the short-term dynamics of salinity in the soil and groundwater and the long-term effects on vegetation. For this purpose, the U.S. Geological Survey’s spatially explicit model of vegetation community dynamics along coastal salinity gradients (MANHAM is integrated into the USGS groundwater model (SUTRA to create a coupled hydrology–salinity–vegetation model, MANTRA. In MANTRA, the uptake of water by plants is modeled as a fluid mass sink term. Groundwater salinity, water saturation and vegetation biomass determine the water available for plant transpiration. Formulations and assumptions used in the coupled model are presented. MANTRA is calibrated with salinity data and vegetation pattern for a coastal area of Florida Everglades vulnerable to storm surges. A possible regime shift at that site is investigated by simulating the vegetation responses to climate variability and disturbances, including SLR and storm surges based on empirical information.

  15. Application of the graphical unitary group approach to the energy second derivative for CI wave functions via the coupled perturbed CI equations

    International Nuclear Information System (INIS)

    Fox, D.J.

    1983-10-01

    Analytic derivatives of the potential energy for Self-Consistent-Field (SCF) wave functions have been developed in recent years and found to be useful tools. The first derivative for configuration interaction (CI) wave functions is also available. This work details the extension of analytic methods to energy second derivatives for CI wave functions. The principal extension required for second derivatives is evaluation of the first order change in the CI wave function with respect to a nuclear perturbation. The shape driven graphical unitary group approach (SDGUGA) direct CI program was adapted to evaluate this term via the coupled-perturbed CI equations. Several iterative schemes are compared for use in solving these equations. The pilot program makes no use of molecular symmetry but the timing results show that utilization of molecular symmetry is desirable. The principles for defining and solving a set of symmetry adapted equations are discussed. Evaluation of the second derivative also requires the solution of the second order coupled-perturbed Hartree-Fock equations to obtain the correction to the molecular orbitals due to the nuclear perturbation. This process takes a consistently higher percentage of the computation time than for the first order equations alone and a strategy for its reduction is discussed

  16. Couplings between hierarchical conformational dynamics from multi-time correlation functions and two-dimensional lifetime spectra: Application to adenylate kinase

    Energy Technology Data Exchange (ETDEWEB)

    Ono, Junichi [Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444-8585 (Japan); Takada, Shoji [Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444-8585 (Japan); Department of Biophysics, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Saito, Shinji, E-mail: shinji@ims.ac.jp [Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444-8585 (Japan); The Graduate University for Advanced Studies, Okazaki 444-8585 (Japan)

    2015-06-07

    An analytical method based on a three-time correlation function and the corresponding two-dimensional (2D) lifetime spectrum is developed to elucidate the time-dependent couplings between the multi-timescale (i.e., hierarchical) conformational dynamics in heterogeneous systems such as proteins. In analogy with 2D NMR, IR, electronic, and fluorescence spectroscopies, the waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra can provide a quantitative description of the dynamical correlations between the conformational motions with different lifetimes. The present method is applied to intrinsic conformational changes of substrate-free adenylate kinase (AKE) using long-time coarse-grained molecular dynamics simulations. It is found that the hierarchical conformational dynamics arise from the intra-domain structural transitions among conformational substates of AKE by analyzing the one-time correlation functions and one-dimensional lifetime spectra for the donor-acceptor distances corresponding to single-molecule Förster resonance energy transfer experiments with the use of the principal component analysis. In addition, the complicated waiting-time dependence of the off-diagonal peaks in the 2D lifetime spectra for the donor-acceptor distances is attributed to the fact that the time evolution of the couplings between the conformational dynamics depends upon both the spatial and temporal characters of the system. The present method is expected to shed light on the biological relationship among the structure, dynamics, and function.

  17. Marital Processes Linking Gender Role Attitudes and Marital Satisfaction Among Mexican-Origin Couples: Application of an Actor-Partner Interdependence Mediation Model.

    Science.gov (United States)

    Helms, Heather M; Supple, Andrew J; Hengstebeck, Natalie D; Wood, Claire A; Rodriguez, Yuliana

    2018-01-24

    Informed by dyadic approaches and culturally informed, ecological perspectives of marriage, we applied an actor-partner interdependence mediation model (APIMeM) in a sample of 120 Mexican-origin couples to examine (a) the associations linking Mexican immigrant husbands' and wives' gender role attitudes to marital satisfaction directly and indirectly through marital processes (i.e., warmth and negativity) and (b) whether the associations between spouses' gender role attitudes and marital processes were moderated by wives' employment. Although previous research has identified spouses' gender role attitudes as potential predictors of spouses' marital satisfaction, no study has examined these links in a dyadic model that elucidates how gender role attitudes may operate through processes to shape marital satisfaction and conditions under which associations may differ. We found that when spouses reported less sex-typed attitudes, their partners reported feeling more connected to them and more satisfied with the marriage, regardless of whether wives were employed. Our results suggest that marital satisfaction was highest for those Mexican-origin couples in which marital partners were less sex-typed in their attitudes about marital roles to the extent that partners' attitudinal role flexibility promoted spouses' feelings of warmth and connection to their partner. © 2018 Family Process Institute.

  18. Modeling interactions of agriculture and groundwater nitrate contaminants: application of The STICS-Eau-Dyssée coupled models over the Seine River Basin

    Science.gov (United States)

    Tavakoly, A. A.; Habets, F.; Saleh, F.; Yang, Z. L.

    2017-12-01

    Human activities such as the cultivation of N-fixing crops, burning of fossil fuels, discharging of industrial and domestic effluents, and extensive usage of fertilizers have recently accelerated the nitrogen loading to watersheds worldwide. Increasing nitrate concentration in surface water and groundwater is a major concern in watersheds with extensive agricultural activities. Nutrient enrichment is one of the major environmental problems in the French coastal zone. To understand and predict interactions between agriculture, surface water and groundwater nitrate contaminants, this study presents a modeling framework that couples the agronomic STICS model with Eau-Dyssée, a distributed hydrologic modeling system to simulate groundwater-surface water interaction. The coupled system is implemented on the Seine River Basin with an area of 88,000 km2 to compute daily nitrate contaminants. Representing a sophisticated hydrosystem with several aquifers and including the megalopolis of Paris, the Seine River Basin is well-known as one of the most productive agricultural areas in France. The STICS-EauDyssée framework is evaluated for a long-term simulation covering 39 years (1971-2010). Model results show that the simulated nitrate highly depends on the inflow produced by surface and subsurface waters. Daily simulation shows that the model captures the seasonal variation of observations and that the overall long-term simulation of nitrate contaminant is satisfactory at the regional scale.

  19. Synthesis and Characterization of Graphene and Graphene Oxide Based Palladium Nanocomposites and Their Catalytic Applications in Carbon-Carbon Cross-Coupling Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Minjae [Kunsan National Univ., Gunsan (Korea, Republic of); Kim, Bohyun; Lee, Yuna; Kim, Beomtae; Park, Joon B. [Chonbuk National Univ., Jeonju (Korea, Republic of)

    2014-07-15

    We have developed an efficient method to generate highly active Pd and PdO nanoparticles (NPs) dispersed on graphene and graphene oxide (GO) by an impregnation method combined with thermal treatments in H{sub 2} and O{sub 2} gas flows, respectively. The Pd NPs supported on graphene (Pd/G) and the PdO NPs supported on GO (PdO/GO) demonstrated excellent carbon-carbon cross-coupling reactions under a solvent-free, environmentally-friendly condition. The morphological and chemical structures of PdO/GO and Pd/G were fully characterized using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). We found that the remarkable reactivity of the Pd/G and PdO/GO catalysts toward the cross-coupling reaction is attributed to the high degree of dispersion of the Pd and PdO NPs while the oxidative states of Pd and the oxygen functionalities of graphene oxide are not critical for their catalytic performance.

  20. Synthesis and Characterization of Graphene and Graphene Oxide Based Palladium Nanocomposites and Their Catalytic Applications in Carbon-Carbon Cross-Coupling Reactions

    International Nuclear Information System (INIS)

    Lee, Minjae; Kim, Bohyun; Lee, Yuna; Kim, Beomtae; Park, Joon B.

    2014-01-01

    We have developed an efficient method to generate highly active Pd and PdO nanoparticles (NPs) dispersed on graphene and graphene oxide (GO) by an impregnation method combined with thermal treatments in H 2 and O 2 gas flows, respectively. The Pd NPs supported on graphene (Pd/G) and the PdO NPs supported on GO (PdO/GO) demonstrated excellent carbon-carbon cross-coupling reactions under a solvent-free, environmentally-friendly condition. The morphological and chemical structures of PdO/GO and Pd/G were fully characterized using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). We found that the remarkable reactivity of the Pd/G and PdO/GO catalysts toward the cross-coupling reaction is attributed to the high degree of dispersion of the Pd and PdO NPs while the oxidative states of Pd and the oxygen functionalities of graphene oxide are not critical for their catalytic performance

  1. Application of laser ablation inductively coupled plasma multicollector mass spectometry in determination of lead isotope ratios in common glass for forensic purposes

    International Nuclear Information System (INIS)

    Sjåstad, Knut-Endre; Andersen, Tom; Simonsen, Siri Lene

    2013-01-01

    Samples of glass used as trace evidence in criminal cases are commonly small, with particle sizes below a millimeter. To perform chemical analysis suitable for forensic purposes, methods capable of analyzing such small samples are required. In this paper, analyses of lead isotope ratios by means of laser ablation inductively coupled multicollector mass spectrometry (LA-MC-ICP-MS) are presented. Sampling by use of laser ablation allows fragments down to 0.1 mg to be analyzed with sufficient precision to discriminate between glasses of different origin. In fact, the use of lead isotopes determined by LA-MC-ICP-MS approaches the discrimination attainable by multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) analysis of dissolved samples of 5 mg or more. Further, we have obtained a probability distribution by two dimensional kernel density estimates for the collected data set as an alternative presentation method to the well-established bivariate plot. The underlying information available from kernel density estimates is of importance for forensic scientists involved in probabilistic interpretation of physical evidence. - Highlights: • Lead isotope ratios prove suitable to discriminate glass for forensic purposes. • 96% of glass samples from different sources were separated by lead isotopic ratios. • Laser ablation allows fragments of glass with extension of 0.5 mm to be analyzed. • Isotopic ratios of lead are well suited for statistical analysis of evidence

  2. Application of the coupled code system KIKO3D/ATHLET to the boron dilution transients in VVER-440 Type NPP

    International Nuclear Information System (INIS)

    Hegyi, G.; Kereszturi, A.; Trosztel, I.

    2003-01-01

    The transient caused by a perturbation of boron concentration and coolant temperature at the inlet of a Russian developed reactor (VVER-440) is reanalysed as a part of the modernisation (introduction of a new type profiled fuel) and power upgrading (up to 108 %) project. This task is one of the basis cases to be investigated in the safety analysis of the pressurized water reactor (PWR) and the criteria of Anticipated Operational Occurrences (AOO) have to be fulfilled for it. First detailed planning calculations were performed with the thermal hydraulic system code ATHLET and neutron physical code system KARATE-440 to find out the appropriate initial parameter set taking into account the active safety system of the NPP. Finally the most reactive case is analysed by the KIKO3D/ATHLET coupled system code. Whereas the investigation is done for safety analysis, conservative assumptions are imposed on reactivity characteristics. Moreover at the core inlet no-mixing is supposed from the unaffected loops. The presented calculations show, how the coupled code system with a detailed description of plant functions and core behaviour can help to understand better the local phenomena in the study of a potential risk of dilution accident, as it offers the possibility to evaluate the plant safety in a more realistic and versatile manner. (author)

  3. Application of the finite-field coupled-cluster method to calculate molecular properties relevant to electron electric-dipole-moment searches

    Science.gov (United States)

    Abe, M.; Prasannaa, V. S.; Das, B. P.

    2018-03-01

    Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (e EDM ), in order to explore physics beyond the standard model, requires a synergy of molecular experiment and theory. Recent advances in experiment in this field have motivated us to implement a finite-field coupled-cluster (FFCC) approach. This work has distinct advantages over the theoretical methods that we had used earlier in the analysis of e EDM searches. We used relativistic FFCC to calculate molecular properties of interest to e EDM experiments, that is, the effective electric field (Eeff) and the permanent electric dipole moment (PDM). We theoretically determine these quantities for the alkaline-earth monofluorides (AEMs), the mercury monohalides (Hg X ), and PbF. The latter two systems, as well as BaF from the AEMs, are of interest to e EDM searches. We also report the calculation of the properties using a relativistic finite-field coupled-cluster approach with single, double, and partial triples' excitations, which is considered to be the gold standard of electronic structure calculations. We also present a detailed error estimate, including errors that stem from our choice of basis sets, and higher-order correlation effects.

  4. Implanted, inductively-coupled, radiofrequency coils fabricated on flexible polymeric material: Application to in vivo rat brain MRI at 7 T

    International Nuclear Information System (INIS)

    Ginefri, J.C.; Poirier-Quinot, M.; Darrasse, L.; Rubin, A.; Tatoulian, M.; Woytasik, M.; Boumezbeur, F.; Djemai, B.; Lethimonnier, F.

    2012-01-01

    Combined with high-field MRI scanners, small implanted coils allow for high resolution imaging with locally improved SNR, as compared to external coils. Small flexible implantable coils dedicated to in vivo MRI of the rat brain at 7 T were developed. Based on the Multi-turn Transmission Line Resonator design, they were fabricated with a Teflon substrate using copper micro-molding process and a specific metal-polymer adhesion treatment. The implanted coils were made biocompatible by Polydimethylsiloxane (PDMS) encapsulation. The use of low loss tangent material achieves low dielectric losses within the substrate and the use of the PDMS layer reduces the parasitic coupling with the surrounding media. An implanted coil was implemented in a 7 T MRI system using inductive coupling and a dedicated external pick-up coil for signal transmission. In vivo images of the rat brain acquired with in plane resolution of (150 μm) 2 thanks to the implanted coil revealed high SNR near the coil, allowing for the visualization of fine cerebral structures. (authors)

  5. Application of high performance liquid chromatography with inductively coupled plasma mass spectrometry (HPLC-ICP-MS) for determination of chromium compounds in the air at the workplace.

    Science.gov (United States)

    Stanislawska, Magdalena; Janasik, Beata; Wasowicz, Wojciech

    2013-12-15

    The toxicity and bioavailability of chromium species are highly dependable on the form or species, therefore determination of total chromium is insufficient for a complete toxicological evaluation and risk assessment. An analytical method for determination of soluble and insoluble Cr (III) and Cr (VI) compounds in welding fume at workplace air has been developed. The total chromium (Cr) was determined by using quadruple inductively coupled plasma mass spectrometry (ICP-MS) equipped with a dynamic reaction cell (DRC(®)). Soluble trivalent and hexavalent chromium compounds were determined by high performance liquid chromatography with inductively coupled plasma mass spectrometry (HPLC-ICP-MS). A high-speed, reversed-phase CR C8 column (PerkinElmer, Inc., Shelton, CT, USA) was used for the speciation of soluble Cr (III) and soluble Cr (VI). The separation was accomplished by interaction of the chromium species with the different components of the mobile phase. Cr (III) formed a complex with EDTA, i.e. retained on the column, while Cr (VI) existed in the solutions as dichromate. Alkaline extraction (2% KOH and 3% Na2CO3) and anion exchange column (PRP-X100, PEEK, Hamilton) were used for the separation of the total Cr (VI). The results of the determination of Cr (VI) were confirmed by the analysis of the certified reference material BCR CRM 545 (Cr (VI) in welding dust). The results obtained for the certified material (40.2±0.6 g kg(-1)) and the values recorded in the examined samples (40.7±0.6 g kg(-1)) were highly consistent. This analytical method was applied for the determination of chromium in the samples in the workplace air collected onto glass (Whatman, Ø 37 mm) and membrane filters (Sartorius, 0.8 μm, Ø 37 mm). High performance liquid chromatography with inductively coupled plasma mass spectrometry is a remarkably powerful and versatile technique for determination of chromium species in welding fume at workplace air. Crown Copyright © 2013 Published by

  6. Hurricane Matthew (2016) and its Storm Surge Inundation under Global Warming Scenarios: Application of an Interactively Coupled Atmosphere-Ocean Model

    Science.gov (United States)

    Jisan, M. A.; Bao, S.; Pietrafesa, L.; Pullen, J.

    2017-12-01

    An interactively coupled atmosphere-ocean model was used to investigate the impacts of future ocean warming, both at the surface and the layers below, on the track and intensity of a hurricane and its associated storm surge and inundation. The category-5 hurricane Matthew (2016), which made landfall on the South Carolina coast of the United States, was used for the case study. Future ocean temperature changes and sea level rise (SLR) were estimated based on the projection of Inter-Governmental Panel on Climate Change (IPCC)'s Representative Concentration Pathway scenarios RCP 2.6 and RCP 8.5. After being validated with the present-day observational data, the model was applied to simulate the changes in track, intensity, storm surge and inundation that Hurricane Matthew would cause under future climate change scenarios. It was found that a significant increase in hurricane intensity, storm surge water level, and inundation area for Hurricane Matthew under future ocean warming and SLR scenarios. For example, under the RCP 8.5 scenario, the maximum wind speed would increase by 17 knots (14.2%), the minimum sea level pressure would decrease by 26 hPa (2.85%), and the inundated area would increase by 401 km2 (123%). By including the effect of SLR for the middle-21st-century scenario, the inundated area will further increase by up to 49.6%. The increase in the hurricane intensity and the inundated area was also found for the RCP 2.6 scenario. The response of sea surface temperature was analyzed to investigate the change in intensity. A comparison was made between the impacts when only the sea surface warming is considered versus when both the sea surface and the underneath layers are considered. These results showed that even without the effect of SLR, the storm surge level and the inundated area would be higher due to the increased hurricane intensity under the influence of the future warmer ocean temperature. The coupled effect of ocean warming and SLR would cause the

  7. Synthesis of palladium nanoparticles with leaf extract of Chrysophyllum cainito (Star apple) and their applications as efficient catalyst for C-C coupling and reduction reactions

    Science.gov (United States)

    Majumdar, Rakhi; Tantayanon, Supawan; Bag, Braja Gopal

    2017-10-01

    A simple green chemical method for the one-step synthesis of palladium nanoparticles (PdNPs) has been described by reducing palladium (II) chloride with the leaf extract of Chrysophyllum cainito in aqueous medium. The synthesis of the palladium nanoparticles completed within 2-3 h at room temperature, whereas on heat treatment (70-80 °C), the synthesis of colloidal PdNPs completed almost instantly. The stabilized PdNPs have been characterized in detail by spectroscopic, electron microscopic and light scattering measurements. The synthesized PdNPs have been utilized as a green catalyst for C-C coupling reactions under aerobic and phosphine-free conditions in aqueous medium. In addition, the synthesized PdNPs have also been utilized as a catalyst for a very efficient sodium borohydride reduction of 3- and 4-nitrophenols. The synthesized PdNPs can retain their catalytic activity for several months.

  8. Selection of mode for the measurement of lead isotope ratios by inductively coupled plasma mass spectrometry and its application to milk powder analysis

    International Nuclear Information System (INIS)

    Dean, J.R.; Ebdon, L.; Massey, R.

    1987-01-01

    An investigation into the selection of the optimum mode for the measurement of isotope ratios in inductively coupled plasma mass spectrometry (ICP-MS) is reported, with particular reference to lead isotope ratios. Variation in the accuracy and precision achievable using the measurement modes of scanning and peak jumping are discussed. It is concluded that if sufficient sample and time are available, scanning gives best accuracy and precision. Isotope dilution analysis (IDA) has been applied to the measurement of the lead content of two dried milk powders of Australian and European origin introduced as slurries into ICP-MS. Differences in the lead isotope ratios in the two milk powders were investigated and the total lead content determined by IDA. Isotope dilution analysis permitted accurate data to be obtained with an RSD of 4.2% or milk powder containing less than 30 ng g -1 of lead. The ICP-MS technique is confirmed as a useful tool for IDA. (author)

  9. Coupled cluster valence bond theory for open-shell systems with application to very long range strong correlation in a polycarbene dimer.

    Science.gov (United States)

    Small, David W; Head-Gordon, Martin

    2017-07-14

    The Coupled Cluster Valence Bond (CCVB) method, previously presented for closed-shell (CS) systems, is extended to open-shell (OS) systems. The theoretical development is based on embedding the basic OS CCVB wavefunction in a fictitious singlet super-system. This approach reveals that the OS CCVB amplitude equations are quite similar to those of CS CCVB, and thus that OS CCVB requires the same level of computational effort as CS CCVB, which is an inexpensive method. We present qualitatively correct CCVB potential energy curves for all low-lying spin states of P 2 and Mn 2 + . CCVB is successfully applied to the low-lying spin states of some model linear polycarbenes, systems that appear to be a hindrance to standard density functionals. We examine an octa-carbene dimer in a side-by-side orientation, which, in the monomer dissociation limit, exhibits maximal strong correlation over the length of the polycarbene.

  10. Application of neutron activation analysis and inductively coupled plasma mass spectrometry to the determination of toxic and essential elements in Australian foods

    International Nuclear Information System (INIS)

    Fardy, J.J.; McOrist, G.D.; Bowles, C.J.; Farrar, Y.J.; Warner, I.M.

    1990-01-01

    Current Australian legislation specifies the maximum permitted levels of nine toxic elements in foods while the National Health and Medical Research Council (NH and NRC) has listed recommended daily intake figures for seven essential elements. This investigation examined the compliance of Australian foods with both these requirements. Australia-wide samples of representative foods from the diets of Australians were used in this study after the NH and NRC kindly permitted us to join their Market Basket (Noxious Substance) Survey. Both toxic and essential element concentrations in these foods were determined using the advanced analytical techniques of instrumental and radiochemical neutron activation analysis and inductively coupled plasma mass spectrometry. With very few exceptions foods do not exceed the maximum, permitted levels for toxic substances. Daily intake figures for essential elements generally lie close to the maximum recommended values listed by NH and NRC. (author). 11 refs, 22 figs, 17 tabs

  11. Imaging with organic indicators and high-speed charge-coupled device cameras in neurons: some applications where these classic techniques have advantages.

    Science.gov (United States)

    Ross, William N; Miyazaki, Kenichi; Popovic, Marko A; Zecevic, Dejan

    2015-04-01

    Dynamic calcium and voltage imaging is a major tool in modern cellular neuroscience. Since the beginning of their use over 40 years ago, there have been major improvements in indicators, microscopes, imaging systems, and computers. While cutting edge research has trended toward the use of genetically encoded calcium or voltage indicators, two-photon microscopes, and in vivo preparations, it is worth noting that some questions still may be best approached using more classical methodologies and preparations. In this review, we highlight a few examples in neurons where the combination of charge-coupled device (CCD) imaging and classical organic indicators has revealed information that has so far been more informative than results using the more modern systems. These experiments take advantage of the high frame rates, sensitivity, and spatial integration of the best CCD cameras. These cameras can respond to the faster kinetics of organic voltage and calcium indicators, which closely reflect the fast dynamics of the underlying cellular events.

  12. An oxidative cross-coupling reaction of 4-hydroxydithiocoumarin and amines/thiols using a combination of I2 and TBHP: access to lead molecules for biomedical applications.

    Science.gov (United States)

    Mahato, Karuna; Arora, Neha; Ray Bagdi, Prasanta; Gattu, Radhakrishna; Ghosh, Siddhartha Sankar; Khan, Abu T

    2018-02-06

    A metal-free I 2 /TBHP induced highly atom economic and operationally simple oxidative cross-coupling reaction has been developed for the direct synthesis of sulfenamides/sulfanes/disulfides from the reaction of 4-hydroxydithiocoumarin and amines/thiols. The novelties of the present protocol are unprecedented S-C bond formation in addition to S-N and S-S bonds, shorter reaction time, mild and environmentally benign reaction conditions, functional group tolerance and moderate to excellent yields. Moreover, the four newly synthesized compounds namely 4q, 6d, 6e and 7a exhibit anti-proliferative activity against the breast cancer cell line MCF7, and may be lead molecules for future drug development.

  13. An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

    Science.gov (United States)

    Rendell, Alistair P.; Lee, Timothy J.

    1991-01-01

    The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

  14. Amperometric determination of 6-mercaptopurine on functionalized multi-wall carbon nanotubes modified electrode by liquid chromatography coupled with microdialysis and its application to pharmacokinetics in rabbit.

    Science.gov (United States)

    Cao, Xu-Ni; Lin, Li; Zhou, Yu-Yan; Shi, Guo-Yue; Zhang, Wen; Yamamoto, Katsunobu; Jin, Li-Tong

    2003-07-27

    In this paper, multi-wall carbon nanotubes functionalized with carboxylic groups modified electrode (MWNT-COOH CME) was fabricated. This chemically modified electrode (CME) can be used as the working electrode in the liquid chromatography for the determination of 6-mercaptopurine (6-MP). The results indicate that the CME exhibits efficiently electrocatalytic oxidation for 6-MP with relatively high sensitivity, stability and long-life. The peak currents of 6-MP are linear to its concentrations ranging from 4.0 x 10(-7) to 1.0 x 10(-4) mol l(-1) with the calculated detection limit (S/N=3) of 2.0 x 10(-7) mol l(-1). Coupled with microdialysis, the method has been successfully applied to the pharmacokinetic study of 6-MP in rabbit blood. This method provides a fast, sensible and simple technique for the pharmacokinetic study of 6-MP in vivo.

  15. Application of inductively coupled plasma mass spectrometry (ICP/MS) to detection of trace elements, heavy metals and radioisotopes in scalp hair

    International Nuclear Information System (INIS)

    Ozturk, Yildirim; Benderli, Cihan

    2010-01-01

    Trace element analysis of human hair has the potential to reveal retrospective information about an individual's nutritional status and exposure. As trace elements are incorporated into the hair during the growth process, longitudinal segments of the hair may reflect the body burden during the growth period. it was evaluated the potential of human hair to indicate exposure or nutritional status over time by analysing trace element profiles in single strands of human hair. By using inductively coupled plasma mass spectrometry (ICP-MS), it was achieved profiles of 43 elements in single strands of human hair. It was shown that trace element analysis along single strands of human hair can yield information about essential and toxic elements and for some elements, can be correlated with seasonal changes in diet and exposure. The information obtained from the trace element profiles of human hair in this study substantiates the potential of hair as a biomarker

  16. Interplay of nonsymmorphic symmetry and spin-orbit coupling in hyperkagome spin liquids: Applications to Na4Ir3O8

    Science.gov (United States)

    Huang, Biao; Kim, Yong Baek; Lu, Yuan-Ming

    2017-02-01

    Na4Ir3O8 provides a material platform to study three-dimensional quantum spin liquids in the geometrically frustrated hyperkagome lattice of Ir4 + ions. In this work, we consider quantum spin liquids on a hyperkagome lattice for generic spin models, focusing on the effects of anisotropic spin interactions. In particular, we classify possible Z2 and U (1 ) spin liquid states, following the projective symmetry group analysis in the slave-fermion representation. There are only three distinct Z2 spin liquids, together with 2 different U (1 ) spin liquids. The nonsymmorphic space group symmetry of the hyperkagome lattice plays a vital role in simplifying the classification, forbidding "π -flux" or "staggered-flux" phases in contrast to symmorphic space groups. We further prove that both U (1 ) states and one Z2 state among all 3 are symmetry-protected gapless spin liquids, robust against any symmetry-preserving perturbations. Motivated by the "spin-freezing" behavior recently observed in Na4Ir3O8 at low temperatures, we further investigate the nearest-neighbor spin model with the dominant Heisenberg interaction subject to all possible anisotropic perturbations from spin-orbit couplings. We find that a U (1 ) spin liquid ground state with spinon Fermi surfaces is energetically favored over Z2 states. Among all spin-orbit coupling terms, we show that only the Dzyaloshinskii-Moriya interaction can induce spin anisotropy in the ground state when perturbing from the isotropic Heisenberg limit. Our work paves the way for a systematic study of quantum spin liquids in various materials with a hyperkagome crystal structure.

  17. Application of NIRS coupled with PLS regression as a rapid, non-destructive alternative method for quantification of KBA in Boswellia sacra

    Science.gov (United States)

    Al-Harrasi, Ahmed; Rehman, Najeeb Ur; Mabood, Fazal; Albroumi, Muhammaed; Ali, Liaqat; Hussain, Javid; Hussain, Hidayat; Csuk, René; Khan, Abdul Latif; Alam, Tanveer; Alameri, Saif

    2017-09-01

    In the present study, for the first time, NIR spectroscopy coupled with PLS regression as a rapid and alternative method was developed to quantify the amount of Keto-β-Boswellic Acid (KBA) in different plant parts of Boswellia sacra and the resin exudates of the trunk. NIR spectroscopy was used for the measurement of KBA standards and B. sacra samples in absorption mode in the wavelength range from 700-2500 nm. PLS regression model was built from the obtained spectral data using 70% of KBA standards (training set) in the range from 0.1 ppm to 100 ppm. The PLS regression model obtained was having R-square value of 98% with 0.99 corelationship value and having good prediction with RMSEP value 3.2 and correlation of 0.99. It was then used to quantify the amount of KBA in the samples of B. sacra. The results indicated that the MeOH extract of resin has the highest concentration of KBA (0.6%) followed by essential oil (0.1%). However, no KBA was found in the aqueous extract. The MeOH extract of the resin was subjected to column chromatography to get various sub-fractions at different polarity of organic solvents. The sub-fraction at 4% MeOH/CHCl3 (4.1% of KBA) was found to contain the highest percentage of KBA followed by another sub-fraction at 2% MeOH/CHCl3 (2.2% of KBA). The present results also indicated that KBA is only present in the gum-resin of the trunk and not in all parts of the plant. These results were further confirmed through HPLC analysis and therefore it is concluded that NIRS coupled with PLS regression is a rapid and alternate method for quantification of KBA in Boswellia sacra. It is non-destructive, rapid, sensitive and uses simple methods of sample preparation.

  18. Compound simulation of fluvial floods and storm surges in a global coupled river-coast flood model: Model development and its application to 2007 Cyclone Sidr in Bangladesh

    Science.gov (United States)

    Ikeuchi, Hiroaki; Hirabayashi, Yukiko; Yamazaki, Dai; Muis, Sanne; Ward, Philip J.; Winsemius, Hessel C.; Verlaan, Martin; Kanae, Shinjiro

    2017-08-01

    Water-related disasters, such as fluvial floods and cyclonic storm surges, are a major concern in the world's mega-delta regions. Furthermore, the simultaneous occurrence of extreme discharges from rivers and storm surges could exacerbate flood risk, compared to when they occur separately. Hence, it is of great importance to assess the compound risks of fluvial and coastal floods at a large scale, including mega-deltas. However, most studies on compound fluvial and coastal flooding have been limited to relatively small scales, and global-scale or large-scale studies have not yet addressed both of them. The objectives of this study are twofold: to develop a global coupled river-coast flood model; and to conduct a simulation of compound fluvial flooding and storm surges in Asian mega-delta regions. A state-of-the-art global river routing model was modified to represent the influence of dynamic sea surface levels on river discharges and water levels. We conducted the experiments by coupling a river model with a global tide and surge reanalysis data set. Results show that water levels in deltas and estuaries are greatly affected by the interaction between river discharge, ocean tides and storm surges. The effects of storm surges on fluvial flooding are further examined from a regional perspective, focusing on the case of Cyclone Sidr in the Ganges-Brahmaputra-Meghna Delta in 2007. Modeled results demonstrate that a >3 m storm surge propagated more than 200 km inland along rivers. We show that the performance of global river routing models can be improved by including sea level dynamics.

  19. Path coupling and aggregate path coupling

    CERN Document Server

    Kovchegov, Yevgeniy

    2018-01-01

    This book describes and characterizes an extension to the classical path coupling method applied to statistical mechanical models, referred to as aggregate path coupling. In conjunction with large deviations estimates, the aggregate path coupling method is used to prove rapid mixing of Glauber dynamics for a large class of statistical mechanical models, including models that exhibit discontinuous phase transitions which have traditionally been more difficult to analyze rigorously. The book shows how the parameter regions for rapid mixing for several classes of statistical mechanical models are derived using the aggregate path coupling method.

  20. Nanocatalysts for Suzuki cross-coupling reactions

    KAUST Repository

    Fihri, Aziz; Bouhrara, Mohamed; Nekoueishahraki, Bijan; Basset, Jean-Marie; Polshettiwar, Vivek

    2011-01-01

    This critical review deals with the applications of nanocatalysts in Suzuki coupling reactions, a field that has attracted immense interest in the chemical, materials and industrial communities. We intend to present a broad overview of nanocatalysts

  1. A Class Coupling Analyzer for Java Programs

    African Journals Online (AJOL)

    PROF. O. E. OSUAGWU

    Increasingly, object-oriented measurements are being used to evaluate and predict ... and architecture investigations on already developed systems. ... coupling during design because we know ... applications and the projects that build them.

  2. New Magnetically Coupled Impedance (Z-) Source Networks

    DEFF Research Database (Denmark)

    Siwakoti, Yam Prasad; Blaabjerg, Frede; Loh, Poh Chiang

    2016-01-01

    Various Magnetically Coupled Impedance Source (MCIS) networks have been proposed in the literature for increasing voltage gain and modulation index simultaneously, while reducing the number of passive components used in the converter. However, applications of such networks have been limited...

  3. Coupled wave sensor technology

    International Nuclear Information System (INIS)

    Maki, M.C.

    1988-01-01

    Buried line guided radar sensors have been used successfully for a number of years to provide perimeter security for high value resources. This paper introduces a new complementary sensor advancement at Computing Devices termed 'coupled wave device technology' (CWD). It provides many of the inherent advantages of leakey cable sensors, such as terrain-following and the ability to discriminate between humans and small animals. It also is able to provide a high or wide detection zone, and allows the sensor to be mounted aerially and adjacent to a wall or fence. Several alternative sensors have been developed which include a single-line sensor, a dual-line hybrid sensor that combines the elements of ported coax and CWD technology, and a rapid-deployment portable sensor for temporary or mobile applications. A description of the technology, the sensors, and their characteristics is provided

  4. Coupling Functions Enable Secure Communications

    Science.gov (United States)

    Stankovski, Tomislav; McClintock, Peter V. E.; Stefanovska, Aneta

    2014-01-01

    Secure encryption is an essential feature of modern communications, but rapid progress in illicit decryption brings a continuing need for new schemes that are harder and harder to break. Inspired by the time-varying nature of the cardiorespiratory interaction, here we introduce a new class of secure communications that is highly resistant to conventional attacks. Unlike all earlier encryption procedures, this cipher makes use of the coupling functions between interacting dynamical systems. It results in an unbounded number of encryption key possibilities, allows the transmission or reception of more than one signal simultaneously, and is robust against external noise. Thus, the information signals are encrypted as the time variations of linearly independent coupling functions. Using predetermined forms of coupling function, we apply Bayesian inference on the receiver side to detect and separate the information signals while simultaneously eliminating the effect of external noise. The scheme is highly modular and is readily extendable to support different communications applications within the same general framework.

  5. The Combined Application of the Caco-2 Cell Bioassay Coupled with In Vivo (Gallus gallus Feeding Trial Represents an Effective Approach to Predicting Fe Bioavailability in Humans

    Directory of Open Access Journals (Sweden)

    Elad Tako

    2016-11-01

    Full Text Available Research methods that predict Fe bioavailability for humans can be extremely useful in evaluating food fortification strategies, developing Fe-biofortified enhanced staple food crops and assessing the Fe bioavailability of meal plans that include such crops. In this review, research from four recent poultry (Gallus gallus feeding trials coupled with in vitro analyses of Fe-biofortified crops will be compared to the parallel human efficacy studies which used the same varieties and harvests of the Fe-biofortified crops. Similar to the human studies, these trials were aimed to assess the potential effects of regular consumption of these enhanced staple crops on maintenance or improvement of iron status. The results demonstrate a strong agreement between the in vitro/in vivo screening approach and the parallel human studies. These observations therefore indicate that the in vitro/Caco-2 cell and Gallus gallus models can be integral tools to develop varieties of staple food crops and predict their effect on iron status in humans. The cost-effectiveness of this approach also means that it can be used to monitor the nutritional stability of the Fe-biofortified crop once a variety has released and integrated into the food system. These screening tools therefore represent a significant advancement to the field for crop development and can be applied to ensure the sustainability of the biofortification approach.

  6. Gasification of rice straw in a fluidized-bed gasifier for syngas application in close-coupled boiler-gasifier systems.

    Science.gov (United States)

    Calvo, L F; Gil, M V; Otero, M; Morán, A; García, A I

    2012-04-01

    The feasibility and operation performance of the gasification of rice straw in an atmospheric fluidized-bed gasifier was studied. The gasification was carried out between 700 and 850 °C. The stoichiometric air-fuel ratio (A/F) for rice straw was 4.28 and air supplied was 7-25% of that necessary for stoichiometric combustion. Mass and power balances, tar concentration, produced gas composition, gas phase ammonia, chloride and potassium concentrations, agglomeration tendencies and gas efficiencies were assessed. Agglomeration was avoided by replacing the normal alumina-silicate bed by a mixture of alumina-silicate sand and MgO. It was shown that it is possible to produce high quality syngas from the gasification of rice straw. Under the experimental conditions used, the higher heating value (HHV) of the produced gas reached 5.1 MJ Nm(-3), the hot gas efficiency 61% and the cold gas efficiency 52%. The obtained results prove that rice straw may be used as fuel for close-coupled boiler-gasifier systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

  7. Application of a coupled ecosystem-chemical equilibrium model, DayCent-Chem, to stream and soil chemistry in a Rocky Mountain watershed

    Science.gov (United States)

    Hartman, M.D.; Baron, Jill S.; Ojima, D.S.

    2007-01-01

    Atmospheric deposition of sulfur and nitrogen species have the potential to acidify terrestrial and aquatic ecosystems, but nitrate and ammonium are also critical nutrients for plant and microbial productivity. Both the ecological response and the hydrochemical response to atmospheric deposition are of interest to regulatory and land management agencies. We developed a non-spatial biogeochemical model to simulate soil and surface water chemistry by linking the daily version of the CENTURY ecosystem model (DayCent) with a low temperature aqueous geochemical model, PHREEQC. The coupled model, DayCent-Chem, simulates the daily dynamics of plant production, soil organic matter, cation exchange, mineral weathering, elution, stream discharge, and solute concentrations in soil water and stream flow. By aerially weighting the contributions of separate bedrock/talus and tundra simulations, the model was able to replicate the measured seasonal and annual stream chemistry for most solutes for Andrews Creek in Loch Vale watershed, Rocky Mountain National Park. Simulated soil chemistry, net primary production, live biomass, and soil organic matter for forest and tundra matched well with measurements. This model is appropriate for accurately describing ecosystem and surface water chemical response to atmospheric deposition and climate change. ?? 2006 Elsevier B.V. All rights reserved.

  8. Application of direct solid sample analysis for the determination of chlorine in biological materials using electrothermal vaporization inductively coupled plasma mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Santos de Gois, Jefferson; Pereira, Éderson R. [Departamento de Química, Universidade Federal de Santa Catarina, 88040-970 Florianópolis, SC (Brazil); Welz, Bernhard [Departamento de Química, Universidade Federal de Santa Catarina, 88040-970 Florianópolis, SC (Brazil); INCT de Energia e Ambiente do CNPq (Brazil); Borges, Daniel L.G., E-mail: daniel.borges@ufsc.br [Departamento de Química, Universidade Federal de Santa Catarina, 88040-970 Florianópolis, SC (Brazil); INCT de Energia e Ambiente do CNPq (Brazil)

    2015-03-01

    This work describes a methodology developed to carry out Cl determination in biological materials using electrothermal vaporization inductively coupled plasma mass spectrometry and direct solid sample analysis. The solid samples were directly weighed into graphite ‘cups’ and inserted into the graphite furnace. The RF power and the carrier gas flow rate were optimized at 1300 W and 0.7 L min{sup −1}, respectively. Calibration could be carried out using aqueous standard solutions with pre-dried modifiers (Pd + Nd or Pd + Ca) or using solid certified reference materials with the same pre-dried modifiers or without the use of modifiers. The limit of quantification was determined as 5 μg g{sup −1} under optimized conditions and the Cl concentration was determined in five certified reference materials with certified concentrations for Cl, in addition to three certified reference materials, for which certified values for Cl were unavailable; in the latter case, the results were compared with those obtained using high-resolution continuum source molecular absorption spectrometry. Good agreement at a 95% statistical confidence level was achieved between determined and certified or reference values. - Highlights: • Direct determination of chlorine in solid biological materials is described for the first time using ICP-MS. • Calibration against aqueous standards is feasible. • The method is accurate and sensitive, regardless of the composition of the solid sample.

  9. Application of an argon-nitrogen inductively-coupled radiofrequency plasma (ICP) to the analysis of geological and related materials for their rare earth contents

    Science.gov (United States)

    Brenner, I. B.; Watson, A. E.; Steele, T. W.; Jones, E. A.; Goncalves, M.

    An account is given of the development of a procedure for the determination of the rare earth (RE) elements in a large variety of geological materials employing a medium power argon-nitrogen ICP coupled with a 3.4m Ebert spectrograph. The effects of the carrier and intermediate gas flow rates, height of observation and power on RE spectral line intensities have been studied. The line-to-background ratio of the RE analyte was found to increase with observation height and passed through a maximum at 12-14 mm above the top of the work coil. The method eventually developed allows the direct determination of the lanthanides and yttrium at the 50-200 μg g -1 levels using a single solution prepared by fusing 0.2-1 g samples with Na 2O 2 or LiBO 2 and dissolving the melt in 4-10% (v/v) HNO 3, or by treating the samples with HF-HClO 4-HNO 3 mixtures. For lower contents of the RE elements, they can be separated from matrix concomitants by ion exchange employing AG50W-X8 resin. A large variety of silicate and phosphate reference materials was analysed using scandium as the internal standard. The relative standard deviations vary from about 1.5-15%. No matrix effects were observed despite the large compositional variation of the samples analysed.

  10. Sheath liquid interface for the coupling of normal-phase liquid chromatography with electrospray mass spectrometry and its application to the analysis of neoflavonoids.

    Science.gov (United States)

    Charles, Laurence; Laure, Frédéric; Raharivelomanana, Phila; Bianchini, Jean-Pierre

    2005-01-01

    A novel interface that allows normal-phase liquid chromatography to be coupled with electrospray ionization (ESI) is reported. A make-up solution of 60 mM ammonium acetate in methanol, infused at a 5 microl min(-1) flow-rate at the tip of the electrospray probe, provides a sheath liquid which is poorly miscible with the chromatographic effluent, but promotes efficient ionization of the targeted analytes. Protonated molecules generated in the ESI source were subjected to tandem mass spectrometric experiments in a triple-quadrupole mass spectrometer. The main fragmentation reactions were characterized for each analyte and specific mass spectral transitions were used to acquire chromatographic data in the multiple reaction monitoring detection mode. Results obtained during optimization of the sheath liquid composition and flow-rate suggest that the electrospray process was mainly under the control of the make-up solution, and that it forms an external charged layer around a neutral chromatographic mobile phase core. This sheath liquid interface was implemented for the analysis of some neoflavonoid compounds and its performance was evaluated. Limits of detection were established for calophillolide, inophyllum B, inophyllum P and inophyllum C at 100, 25, 15 and 100 ng ml(-1), respectively.

  11. GPCR-I-TASSER: A Hybrid Approach to G Protein-Coupled Receptor Structure Modeling and the Application to the Human Genome.

    Science.gov (United States)

    Zhang, Jian; Yang, Jianyi; Jang, Richard; Zhang, Yang

    2015-08-04

    Experimental structure determination remains difficult for G protein-coupled receptors (GPCRs). We propose a new hybrid protocol to construct GPCR structure models that integrates experimental mutagenesis data with ab initio transmembrane (TM) helix assembly simulations. The method was tested on 24 known GPCRs where the ab initio TM-helix assembly procedure constructed the correct fold for 20 cases. When combined with weak homology and sparse mutagenesis restraints, the method generated correct folds for all the tested cases with an average Cα root-mean-square deviation 2.4 Å in the TM regions. The new hybrid protocol was applied to model all 1,026 GPCRs in the human genome, where 923 have a high confidence score and are expected to have correct folds; these contain many pharmaceutically important families with no previously solved structures, including Trace amine, Prostanoids, Releasing hormones, Melanocortins, Vasopressin, and Neuropeptide Y receptors. The results demonstrate new progress on genome-wide structure modeling of TM proteins. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Accurate characterization of weak macromolecular interactions by titration of NMR residual dipolar couplings: application to the CD2AP SH3-C:ubiquitin complex.

    Science.gov (United States)

    Ortega-Roldan, Jose Luis; Jensen, Malene Ringkjøbing; Brutscher, Bernhard; Azuaga, Ana I; Blackledge, Martin; van Nuland, Nico A J

    2009-05-01

    The description of the interactome represents one of key challenges remaining for structural biology. Physiologically important weak interactions, with dissociation constants above 100 muM, are remarkably common, but remain beyond the reach of most of structural biology. NMR spectroscopy, and in particular, residual dipolar couplings (RDCs) provide crucial conformational constraints on intermolecular orientation in molecular complexes, but the combination of free and bound contributions to the measured RDC seriously complicates their exploitation for weakly interacting partners. We develop a robust approach for the determination of weak complexes based on: (i) differential isotopic labeling of the partner proteins facilitating RDC measurement in both partners; (ii) measurement of RDC changes upon titration into different equilibrium mixtures of partially aligned free and complex forms of the proteins; (iii) novel analytical approaches to determine the effective alignment in all equilibrium mixtures; and (iv) extraction of precise RDCs for bound forms of both partner proteins. The approach is demonstrated for the determination of the three-dimensional structure of the weakly interacting CD2AP SH3-C:Ubiquitin complex (K(d) = 132 +/- 13 muM) and is shown, using cross-validation, to be highly precise. We expect this methodology to extend the remarkable and unique ability of NMR to study weak protein-protein complexes.

  13. Development and application of a coupled bio-geochmical and hydrological model for point and non-point source river water pollution

    Science.gov (United States)

    Pohlert, T.

    2007-12-01

    The aim of this paper is to present recent developments of an integrated water- and N-balance model for the assessment of land use changes on water and N-fluxes for meso-scale river catchments. The semi-distributed water-balance model SWAT was coupled with algorithms of the bio-geochemical model DNDC as well as the model CropSyst. The new model that is further denoted as SWAT-N was tested with leaching data from a long- term lysimeter experiment as well as results from a 5-years sampling campaign that was conducted at the outlet of the meso-scale catchment of the River Dill (Germany). The model efficiency for N-load as well as the spatial representation of N-load along the river channel that was tested with results taken from longitudinal profiles show that the accuracy of the model has improved due to the integration of the aforementioned process-oriented models. After model development and model testing, SWAT-N was then used for the assessment of the EU agricultural policy (CAP reform) on land use change and consequent changes on N-fluxes within the Dill Catchment. giessen.de/geb/volltexte/2007/4531/

  14. Embedded resource accounting for coupled natural-human systems: An application to water resource impacts of the western U.S. electrical energy trade

    Science.gov (United States)

    Ruddell, Benjamin L.; Adams, Elizabeth A.; Rushforth, Richard; Tidwell, Vincent C.

    2014-10-01

    In complex coupled natural-human systems (CNH), multitype networks link social, environmental, and economic systems with flows of matter, energy, information, and value. Embedded Resource Accounting (ERA) is a systems analysis framework that includes the indirect connections of a multitype CNH network. ERA is conditioned on perceived system boundaries, which may vary according to the accountant's point of view. Both direct and indirect impacts are implicit whenever two subnetworks interact in such a system; the ratio of two subnetworks' impacts is the embedded intensity. For trade in the services of water, this is understood as the indirect component of a water footprint, and as "virtual water" trade. ERA is a generalization of input-output, footprint, and substance flow methods, and is a type of life cycle analysis. This paper presents results for the water and electrical energy system in the western U.S. This system is dominated by California, which outsources the majority of its water footprint of electrical energy. Electricity trade increases total water consumption for electricity production in the western U.S. by 15% and shifts water use to water-stressed Colorado River Basin States. A systemic underaccounting for water footprints occurs because state-level processes discount a portion of the water footprint occurring outside of the state boundary.

  15. Ultra-sensitive DNA assay based on single-molecule detection coupled with fluorescent quantum dot-labeling and its application to determination of messenger RNA

    International Nuclear Information System (INIS)

    Li Li; Li Xincang; Li Lu; Wang Jinxing; Jin Wenrui

    2011-01-01

    An ultra-sensitive single-molecule detection (SMD) method for quantification of DNA using total internal reflection fluorescence microscopy (TIRFM) coupled with fluorescent quantum dot (QD)-labeling was developed. In this method, the target DNA (tDNA) was captured by the capture DNA immobilized on the silanized coverslip blocked with ethanolamine and bovine serum albumin. Then, the QD-labeled probe DNA was hybridized to the tDNA. Ten fluorescent images of the QD-labeled sandwich DNA hybrids on the coverslip were taken by a high-sensitive CCD. The tDNA was quantified by counting the bright spots on the images using a calibration curve. The LOD of the method was 1 x 10 -14 mol L -1 . Several key factors, including image acquirement, fluorescence probe, substrate preparation, noise elimination from solutions and glass coverslips, and nonspecific adsorption and binding of solution-phase detection probes were discussed in detail. The method could be applied to quantify messenger RNA (mRNA) in cells. In order to determine mRNA, double-stranded RNA-DNA hybrids consisting of mRNA and corresponding cDNA were synthesized from the cellular mRNA template using reverse transcription in the