WorldWideScience

Sample records for high order kinetic

  1. Synthetic Control of Kinetic Reaction Pathway and Cationic Ordering in High-Ni Layered Oxide Cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Dawei [Sustainable Energy Technologies Department, Brookhaven National Laboratory, Upton NY 11973 USA; Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory Physical Chemistry Solid Surfaces, Department of Chemistry, Xiamen University, Xiamen Fujian 361005 China; Kou, Ronghui [X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Ren, Yang [X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Sun, Cheng-Jun [X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Zhao, Hu [Sustainable Energy Technologies Department, Brookhaven National Laboratory, Upton NY 11973 USA; Zhang, Ming-Jian [Sustainable Energy Technologies Department, Brookhaven National Laboratory, Upton NY 11973 USA; School of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen Guangdong 518055 P. R. China; Li, Yan [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne IL 60439 USA; Huq, Ashifia [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge TN 37831 USA; Ko, J. Y. Peter [The Cornell High Energy Synchrotron Source, Cornell University, Ithaca NY 14853 USA; Pan, Feng [School of Advanced Materials, Peking University Shenzhen Graduate School, Shenzhen Guangdong 518055 P. R. China; Sun, Yang-Kook [Department of Energy Engineering, Hanyang University, Seoul 133-791 South Korea; Yang, Yong [Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory Physical Chemistry Solid Surfaces, Department of Chemistry, Xiamen University, Xiamen Fujian 361005 China; Amine, Khalil [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne IL 60439 USA; Bai, Jianming [National Synchrotron Light Source II, Brookhaven National Laboratory, Upton NY 11973 USA; Chen, Zonghai [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne IL 60439 USA; Wang, Feng [Sustainable Energy Technologies Department, Brookhaven National Laboratory, Upton NY 11973 USA

    2017-08-25

    Nickel-rich layered transition metal oxides, LiNi1-x(MnCo)(x)O-2 (1-x >= 0.5), are appealing candidates for cathodes in next-generation lithium-ion batteries (LIBs) for electric vehicles and other large-scale applications, due to their high capacity and low cost. However, synthetic control of the structural ordering in such a complex quaternary system has been a great challenge, especially in the presence of high Ni content. Herein, synthesis reactions for preparing layered LiNi0.7Mn0.15Co0.15O2 (NMC71515) by solid-state methods are investigated through a combination of time-resolved in situ high-energy X-ray diffraction and absorption spectroscopy measurements. The real-time observation reveals a strong temperature dependence of the kinetics of cationic ordering in NMC71515 as a result of thermal-driven oxidation of transition metals and lithium/oxygen loss that concomitantly occur during heat treatment. Through synthetic control of the kinetic reaction pathway, a layered NMC71515 with low cationic disordering and a high reversible capacity is prepared in air. The findings may help to pave the way for designing high-Ni layered oxide cathodes for LIBs.

  2. A family of high-order gas-kinetic schemes and its comparison with Riemann solver based high-order methods

    Science.gov (United States)

    Ji, Xing; Zhao, Fengxiang; Shyy, Wei; Xu, Kun

    2018-03-01

    Most high order computational fluid dynamics (CFD) methods for compressible flows are based on Riemann solver for the flux evaluation and Runge-Kutta (RK) time stepping technique for temporal accuracy. The advantage of this kind of space-time separation approach is the easy implementation and stability enhancement by introducing more middle stages. However, the nth-order time accuracy needs no less than n stages for the RK method, which can be very time and memory consuming due to the reconstruction at each stage for a high order method. On the other hand, the multi-stage multi-derivative (MSMD) method can be used to achieve the same order of time accuracy using less middle stages with the use of the time derivatives of the flux function. For traditional Riemann solver based CFD methods, the lack of time derivatives in the flux function prevents its direct implementation of the MSMD method. However, the gas kinetic scheme (GKS) provides such a time accurate evolution model. By combining the second-order or third-order GKS flux functions with the MSMD technique, a family of high order gas kinetic methods can be constructed. As an extension of the previous 2-stage 4th-order GKS, the 5th-order schemes with 2 and 3 stages will be developed in this paper. Based on the same 5th-order WENO reconstruction, the performance of gas kinetic schemes from the 2nd- to the 5th-order time accurate methods will be evaluated. The results show that the 5th-order scheme can achieve the theoretical order of accuracy for the Euler equations, and present accurate Navier-Stokes solutions as well due to the coupling of inviscid and viscous terms in the GKS formulation. In comparison with Riemann solver based 5th-order RK method, the high order GKS has advantages in terms of efficiency, accuracy, and robustness, for all test cases. The 4th- and 5th-order GKS have the same robustness as the 2nd-order scheme for the capturing of discontinuous solutions. The current high order MSMD GKS is a

  3. A high-order method for the integration of the Galerkin semi-discretized nuclear reactor kinetics equations

    International Nuclear Information System (INIS)

    Vargas, L.

    1988-01-01

    The numerical approximate solution of the space-time nuclear reactor kinetics equation is investigated using a finite-element discretization of the space variable and a high order integration scheme for the resulting semi-discretized parabolic equation. The Galerkin method with spatial piecewise polynomial Lagrange basis functions are used to obtained a continuous time semi-discretized form of the space-time reactor kinetics equation. A temporal discretization is then carried out with a numerical scheme based on the Iterated Defect Correction (IDC) method using piecewise quadratic polynomials or exponential functions. The kinetics equations are thus solved with in a general finite element framework with respect to space as well as time variables in which the order of convergence of the spatial and temporal discretizations is consistently high. A computer code GALFEM/IDC is developed, to implement the numerical schemes described above. This issued to solve a one space dimensional benchmark problem. The results of the numerical experiments confirm the theoretical arguments and show that the convergence is very fast and the overall procedure is quite efficient. This is due to the good asymptotic properties of the numerical scheme which is of third order in the time interval

  4. Rarefied gas flow simulations using high-order gas-kinetic unified algorithms for Boltzmann model equations

    Science.gov (United States)

    Li, Zhi-Hui; Peng, Ao-Ping; Zhang, Han-Xin; Yang, Jaw-Yen

    2015-04-01

    This article reviews rarefied gas flow computations based on nonlinear model Boltzmann equations using deterministic high-order gas-kinetic unified algorithms (GKUA) in phase space. The nonlinear Boltzmann model equations considered include the BGK model, the Shakhov model, the Ellipsoidal Statistical model and the Morse model. Several high-order gas-kinetic unified algorithms, which combine the discrete velocity ordinate method in velocity space and the compact high-order finite-difference schemes in physical space, are developed. The parallel strategies implemented with the accompanying algorithms are of equal importance. Accurate computations of rarefied gas flow problems using various kinetic models over wide ranges of Mach numbers 1.2-20 and Knudsen numbers 0.0001-5 are reported. The effects of different high resolution schemes on the flow resolution under the same discrete velocity ordinate method are studied. A conservative discrete velocity ordinate method to ensure the kinetic compatibility condition is also implemented. The present algorithms are tested for the one-dimensional unsteady shock-tube problems with various Knudsen numbers, the steady normal shock wave structures for different Mach numbers, the two-dimensional flows past a circular cylinder and a NACA 0012 airfoil to verify the present methodology and to simulate gas transport phenomena covering various flow regimes. Illustrations of large scale parallel computations of three-dimensional hypersonic rarefied flows over the reusable sphere-cone satellite and the re-entry spacecraft using almost the largest computer systems available in China are also reported. The present computed results are compared with the theoretical prediction from gas dynamics, related DSMC results, slip N-S solutions and experimental data, and good agreement can be found. The numerical experience indicates that although the direct model Boltzmann equation solver in phase space can be computationally expensive

  5. Kinetics, Reaction Orders, Rate Laws, and Their Relation to Mechanisms: A Hands-On Introduction for High School Students Using Portable Spectrophotometry

    Science.gov (United States)

    Carraher, Jack M.; Curry, Sarah M.; Tessonnier, Jean-Philippe

    2016-01-01

    Teaching complex chemistry concepts such as kinetics using inquiry-based learning techniques can be challenging in a high school classroom setting. Access to expensive laboratory equipment such as spectrometers is typically limited and most reaction kinetics experiments have been designed for advanced placement (AP) or first-year undergraduate…

  6. Electron-emission processes in highly charged Ar and Xe ions impinging on highly ordered pyrolytic graphite at energies just above the kinetic threshold

    NARCIS (Netherlands)

    Bodewits, E.; Hoekstra, R.; Dobes, K.; Aumayr, F.

    2014-01-01

    At keV energies, many electronic processes contribute to the emission of secondary electrons in the interaction of highly charged ions on surfaces. To unravel contributions resulting from isolated hollow atoms in front of the surface or embedded in the electron gas of the target, heavy highly

  7. Kinetically Inhibited Order in a Diamond-Lattice Antiferromagnet

    International Nuclear Information System (INIS)

    MacDougall, Gregory J.; Gout, Delphine J.; Zarestky, Jerel L.; Ehlers, Georg; Podlesnyak, Andrey A.; McGuire, Michael A.; Mandrus, David; Nagler, Stephen E.

    2011-01-01

    Frustrated magnetic systems exhibit highly degenerate ground states and strong fluctuations, often leading to new physics. An intriguing example of current interest is the antiferromagnet on a diamond lattice, realized physically in the A-site spinel materials. This is a prototypical system in three dimensions where frustration arises from competing interactions rather than purely geometric constraints, and theory suggests the possibility of novel order at low temperature. Here we present a comprehensive single crystal neutron scattering study CoAl2O4, a highly frustrated A-site spinel. We observe strong diffuse scattering that peaks at wavevectors associated with Neel ordering. Below the temperature T*=6.5K, there is a dramatic change in elastic scattering lineshape accompanied by the emergence of well-defined spin-wave excitations. T* had previously been associated with the onset of glassy behavior. Our new results suggest instead that in fact T* signifies a first-order phase transition, but with true long-range order inhibited by the kinetic freezing of domain walls. This scenario might be expected to occur widely in frustrated systems containing first-order phase transitions and is a natural explanation for existing reports of anomalous glassy behavior in other materials.

  8. High temperature reaction kinetics

    International Nuclear Information System (INIS)

    Jonah, C.D.; Beno, M.F.; Mulac, W.A.; Bartels, D.

    1985-01-01

    During the last year the dependence of the apparent rate of OD + CO on water pressure was measured at 305, 570, 865 and 1223 K. An explanation was found and tested for the H 2 O dependence of the apparent rate of OH(OD) + CO at high temperatures. The isotope effect for OH(D) with CO was determined over the temperature range 330 K to 1225 K. The reason for the water dependence of the rate of OH(OD) + CO near room temperatures has been investigated but no clear explanation has been found. 1 figure

  9. Out-of-order event processing in kinetic data structures

    DEFF Research Database (Denmark)

    Abam, Mohammad; de Berg, Mark; Agrawal, Pankaj

    2011-01-01

    ’s for the maintenance of several fundamental structures such as kinetic sorting and kinetic tournament trees, which overcome the difficulty by employing a refined event scheduling and processing technique. We prove that the new event scheduling mechanism leads to a KDS that is correct except for finitely many short......We study the problem of designing kinetic data structures (KDS’s for short) when event times cannot be computed exactly and events may be processed in a wrong order. In traditional KDS’s this can lead to major inconsistencies from which the KDS cannot recover. We present more robust KDS...

  10. Ordering kinetics in model systems with inhibited interfacial adsorption

    DEFF Research Database (Denmark)

    Willart, J.-F.; Mouritsen, Ole G.; Naudts, J.

    1992-01-01

    . The results are related to experimental work on ordering processes in orientational glasses. It is suggested that the experimental observation of very slow ordering kinetics in, e.g., glassy crystals of cyanoadamantane may be a consequence of low-temperature activated processes which ultimately lead...

  11. An improved solution of first order kinetics for biochemical oxygen ...

    African Journals Online (AJOL)

    This paper evaluated selected Biochemical Oxygen Demand first order kinetics methods. Domesticinstitutional wastewaters were collected twice in a month for three months from the Obafemi Awolowo University, Ile-Ife waste stabilization ponds. Biochemical Oxygen Demand concentrations at different days were determined ...

  12. Deconvolution of the thermoluminescent emission curve. Second order kinetics

    International Nuclear Information System (INIS)

    Moreno y M, A.; Moreno B, A.

    1999-01-01

    In this work it is described the Randall and Wilkins second order kinetics in Microsoft Excel language, which allows its expression as the sum of Gaussian and the correction factors corresponding. These factors are obtained of the differences between the real thermoluminescent curve and the Gaussian proposed. The results obtained justify the Gaussian expression added to the correction factor. (Author)

  13. A critical look at the kinetic models of thermoluminescence-II. Non-first order kinetics

    International Nuclear Information System (INIS)

    Sunta, C M; Ayta, W E F; Chubaci, J F D; Watanabe, S

    2005-01-01

    Non-first order (FO) kinetics models are of three types; second order (SO), general order (GO) and mixed order (MO). It is shown that all three of these have constraints in their energy level schemes and their applicable parameter values. In nature such restrictions are not expected to exist. The thermoluminescence (TL) glow peaks produced by these models shift their position and change their shape as the trap occupancies change. Such characteristics are very unlike those found in samples of real materials. In these models, in general, retrapping predominates over recombination. It is shown that the quasi-equilibrium (QE) assumption implied in the derivation of the TL equation of these models is quite valid, thus disproving earlier workers' conclusion that QE cannot be held under retrapping dominant conditions. However notwithstanding their validity, they suffer from the shortcomings as stated above and have certain lacunae. For example, the kinetic order (KO) parameter and the pre-exponential factor which are assumed to be the constant parameters of the GO kinetics expression turn out to be variables when this expression is applied to plausible physical models. Further, in glow peak characterization using the GO expression, the quality of fit is found to deteriorate when the best fitted value of KO parameter is different from 1 and 2. This means that the found value of the basic parameter, namely the activation energy, becomes subject to error. In the MO kinetics model, the value of the KO parameter α would change with dose, and thus in this model also, as in the GO model, no single value of KO can be assigned to a given glow peak. The paper discusses TL of real materials having characteristics typically like those of FO kinetics. Theoretically too, a plausible physical model of TL emission produces glow peaks which have characteristics of FO kinetics under a wide variety of parametric combinations. In the background of the above findings, it is suggested that

  14. Kinetics and thermodynamics of first-order Markov chain copolymerization

    Energy Technology Data Exchange (ETDEWEB)

    Gaspard, P.; Andrieux, D. [Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles, Code Postal 231, Campus Plaine, B-1050 Brussels (Belgium)

    2014-07-28

    We report a theoretical study of stochastic processes modeling the growth of first-order Markov copolymers, as well as the reversed reaction of depolymerization. These processes are ruled by kinetic equations describing both the attachment and detachment of monomers. Exact solutions are obtained for these kinetic equations in the steady regimes of multicomponent copolymerization and depolymerization. Thermodynamic equilibrium is identified as the state at which the growth velocity is vanishing on average and where detailed balance is satisfied. Away from equilibrium, the analytical expression of the thermodynamic entropy production is deduced in terms of the Shannon disorder per monomer in the copolymer sequence. The Mayo-Lewis equation is recovered in the fully irreversible growth regime. The theory also applies to Bernoullian chains in the case where the attachment and detachment rates only depend on the reacting monomer.

  15. High-temperature spreading kinetics of metals

    Energy Technology Data Exchange (ETDEWEB)

    Rauch, N.

    2005-05-15

    In this PhD work a drop transfer setup combined with high speed photography has been used to analyze the spreading of Ag on polished polycrystalline Mo and single crystalline Mo (110) and (100) substrates. The objective of this work was to unveil the basic phenomena controlling spreading in metal-metal systems. The observed spreading kinetics were compared with current theories of low and high temperature spreading such as a molecular kinetic model and a fluid flow model. Analyses of the data reveal that the molecular model does describe the fastest velocity data well for all the investigated systems. Therefore, the energy which is dissipated during the spreading process is a dissipation at the triple line rather than dissipation due to the viscosity in the liquid. A comparison of the determined free activation energy for wetting of {delta}G95{approx}145kJ/mol with literature values allows the statement that the rate determining step seems to be a surface diffusion of the Ag atoms along the triple line. In order to investigate possible ridge formation, due to local atomic diffusion of atoms of the substrate at the triple during the spreading process, grooving experiments of the polycrystalline Mo were performed to calculate the surface diffusities that will control ridge evolution. The analyses of this work showed that a ridge formation at the fastest reported wetting velocities was not possible if there is no initial perturbation for a ridge. If there was an initial perturbation for a ridge the ridge had to be much smaller than 1 nm in order to be able to move with the liquid font. Therefore ridge formation does not influence the spreading kinetics for the studied system and the chosen conditions. SEM, AFM and TEM investigations of the triple line showed that ridge formation does also not occur at the end of the wetting experiment when the drop is close to equilibrium and the wetting velocity is slow. (orig.)

  16. Size effect on order-disorder transition kinetics of FePt nanoparticles

    International Nuclear Information System (INIS)

    Zhang, Shuaidi; Qi, Weihong; Huang, Baiyun

    2014-01-01

    The kinetics of order-disorder transition of FePt nanoparticles during high temperature annealing is theoretically investigated. A model is developed to address the influence of large surface to volume ratio of nanoparticles on both the thermodynamic and kinetic aspect of the ordering process; specifically, the nucleation and growth of L1 0 ordered domain within disordered nanoparticles. The size- and shape-dependence of transition kinetics are quantitatively addressed by a revised Johnson-Mehl-Avrami equation that included corrections for deviations caused by the domination of surface nucleation in nanoscale systems and the non-negligible size of the ordered nuclei. Calculation results based on the model suggested that smaller nanoparticles are kinetically more active but thermodynamically less transformable. The major obstacle in obtaining completely ordered nanoparticles is the elimination of antiphase boundaries. The results also quantitatively confirmed the existence of a size-limit in ordering, beyond which, inducing order-disorder transitions through annealing is impossible. A good agreement is observed between theory, experiment, and computer simulation results

  17. Distributions of Autocorrelated First-Order Kinetic Outcomes: Illness Severity.

    Directory of Open Access Journals (Sweden)

    James D Englehardt

    Full Text Available Many complex systems produce outcomes having recurring, power law-like distributions over wide ranges. However, the form necessarily breaks down at extremes, whereas the Weibull distribution has been demonstrated over the full observed range. Here the Weibull distribution is derived as the asymptotic distribution of generalized first-order kinetic processes, with convergence driven by autocorrelation, and entropy maximization subject to finite positive mean, of the incremental compounding rates. Process increments represent multiplicative causes. In particular, illness severities are modeled as such, occurring in proportion to products of, e.g., chronic toxicant fractions passed by organs along a pathway, or rates of interacting oncogenic mutations. The Weibull form is also argued theoretically and by simulation to be robust to the onset of saturation kinetics. The Weibull exponential parameter is shown to indicate the number and widths of the first-order compounding increments, the extent of rate autocorrelation, and the degree to which process increments are distributed exponential. In contrast with the Gaussian result in linear independent systems, the form is driven not by independence and multiplicity of process increments, but by increment autocorrelation and entropy. In some physical systems the form may be attracting, due to multiplicative evolution of outcome magnitudes towards extreme values potentially much larger and smaller than control mechanisms can contain. The Weibull distribution is demonstrated in preference to the lognormal and Pareto I for illness severities versus (a toxicokinetic models, (b biologically-based network models, (c scholastic and psychological test score data for children with prenatal mercury exposure, and (d time-to-tumor data of the ED01 study.

  18. Generation of high order modes

    CSIR Research Space (South Africa)

    Ngcobo, S

    2012-07-01

    Full Text Available with the location of the Laguerre polynomial zeros. The Diffractive optical element is used to shape the TEM00 Gassian beam and force the laser to operate on a higher order TEMp0 Laguerre-Gaussian modes or high order superposition of Laguerre-Gaussian modes...

  19. High order depletion sensitivity analysis

    International Nuclear Information System (INIS)

    Naguib, K.; Adib, M.; Morcos, H.N.

    2002-01-01

    A high order depletion sensitivity method was applied to calculate the sensitivities of build-up of actinides in the irradiated fuel due to cross-section uncertainties. An iteration method based on Taylor series expansion was applied to construct stationary principle, from which all orders of perturbations were calculated. The irradiated EK-10 and MTR-20 fuels at their maximum burn-up of 25% and 65% respectively were considered for sensitivity analysis. The results of calculation show that, in case of EK-10 fuel (low burn-up), the first order sensitivity was found to be enough to perform an accuracy of 1%. While in case of MTR-20 (high burn-up) the fifth order was found to provide 3% accuracy. A computer code SENS was developed to provide the required calculations

  20. Pre-exponential factor in general order kinetics of thermoluminescence and its influence on glow curves

    International Nuclear Information System (INIS)

    Sunta, C.M.; Ayta, W.E.F.; Chen, R.; Watanabe, S.

    1997-01-01

    A model of thermoluminescence kinetics based on a physically meaningful approach shows that the glow curve shapes undergo systematic changes with the change of trap occupancy (dose). In terms of the general order kinetics model it means that the kinetic order changes with sample dose. In parallel to the kinetic order, the pre-exponential factor also changes. In contrast to these results the glow curves calculated from the general order kinetics model show that the peak shape remains nearly constant when the trap occupancy is changed. When appropriately defined, the pre-exponential factor also has a fixed value independent of trap occupancy. In these respects the general order kinetics model, though empirical, seems to describe the glow peak behaviour quite successfully. However, regarding the peak temperature the theoretical results both from the physical as well as the empirical model seem to diverge from the experimental observations when the experimentally determined kinetics is non-first order. (author)

  1. an improved solution of first order kinetics for biochemical oxygen ...

    African Journals Online (AJOL)

    DELL

    Accuracies of these methods were evaluated using relative error, Akaike ... Keywords: Wastewater, Environmental Engineering, Biochemical Oxygen Demand Kinetic Parameters,. Statistical ... evaluating organic pollution level and quality of wastewaters. ... compounds ...... method can be applied on electronic devices, and.

  2. On the second kinetic order thermoluminescent glow curves

    International Nuclear Information System (INIS)

    Dang Thanh Luong; Nguyen Hao Quang; Hoang Minh Giang

    1995-01-01

    The kinetic parameters of thermoluminescent material such as CaF 2 -N and CaSO 4 -Dy with the different grain sizes are investigated in detail using the least square method of fitting. It was found that the activation energy E (or trap depth) and peak temperature T m ax are changed with the elapsed time between the irradiation and read-out for the low temperature glow curve peaks. The similar TL glow curve shapes are obtained for the different CaSO 4 -Dy grain size. (author). 7 refs., 5 figs., 2 tabs

  3. A Kinetic Study of the Diels-Alder Reaction. An Experiment Illustrating Simple Second-Order Reaction Kinetics.

    Science.gov (United States)

    Silvestri, Michael G.; Dills, Charles E.

    1989-01-01

    Describes an organic chemistry experiment for teaching the basic concepts of chemical kinetics. Provides background information about first- and second-order reactions, experimental procedures of the Diels-Alder reaction between cyclopentadiene and dimethyl fumarate, and the experimental results. (YP)

  4. Improved antimicrobial property and controlled drug release kinetics of silver sulfadiazine loaded ordered mesoporous silica

    Directory of Open Access Journals (Sweden)

    Suman Jangra

    2016-09-01

    Full Text Available The present study deals with the loading of silver sulfadiazine into ordered mesoporous silica material by post-impregnation method and its effect on the in vitro release kinetics and antimicrobial property of the drug. The formulated SBA-15 silica material with rope-like morphology and SBA-15-silver sulfadiazine (SBA-AgSD were characterized by UV–visible spectrophotometer, small and wide-angle powder X-ray diffraction (PXRD, field emission scanning electron microscope (FESEM and high resolution transmission electron microscope (HRTEM. Thermo-gravimetric analysis of SBA-AgSD revealed a high loading amount of 52.87%. Nitrogen adsorption–desorption analysis confirmed the drug entrapment into host material by revealing a reduced surface area (214 m2/g and pore diameter (6.7 nm of the SBA-AgSD. The controlled release of silver sulfadiazine drug from the mesoporous silica to simulated gastric, intestinal and body fluids was evaluated. The Korsmeyer–Peppas model fits the drug release data with the non-Fickian diffusion model and zero order kinetics of SBA-AgSD. The antibacterial performance of the SBA-AgSD was evaluated with respect to Staphylococcus aureus, Bacillus subtilis and Pseudomonas aeruginosa. The controlled drug delivery of the SBA-AgSD revealed improved antibacterial activity, thus endorsing its applicability in effective wound dressing.

  5. High-order finite volume advection

    OpenAIRE

    Shaw, James

    2018-01-01

    The cubicFit advection scheme is limited to second-order convergence because it uses a polynomial reconstruction fitted to point values at cell centres. The highOrderFit advection scheme achieves higher than second order by calculating high-order moments over the mesh geometry.

  6. Observations on the properties of second and general-order kinetics equations describing the thermoluminescence processes

    International Nuclear Information System (INIS)

    Kitis, G.; Furetta, C.; Azorin, J.

    2003-01-01

    Synthetic thermoluminescent (Tl) glow peaks, following a second and general kinetics order have been generated by computer. The general properties of the so generated peaks have been investigated over several order of magnitude of simulated doses. Some non usual results which, at the best knowledge of the authors, are not reported in the literature, are obtained and discussed. (Author)

  7. High-Order Hamilton's Principle and the Hamilton's Principle of High-Order Lagrangian Function

    International Nuclear Information System (INIS)

    Zhao Hongxia; Ma Shanjun

    2008-01-01

    In this paper, based on the theorem of the high-order velocity energy, integration and variation principle, the high-order Hamilton's principle of general holonomic systems is given. Then, three-order Lagrangian equations and four-order Lagrangian equations are obtained from the high-order Hamilton's principle. Finally, the Hamilton's principle of high-order Lagrangian function is given.

  8. A third-order gas-kinetic CPR method for the Euler and Navier-Stokes equations on triangular meshes

    Science.gov (United States)

    Zhang, Chao; Li, Qibing; Fu, Song; Wang, Z. J.

    2018-06-01

    A third-order accurate gas-kinetic scheme based on the correction procedure via reconstruction (CPR) framework is developed for the Euler and Navier-Stokes equations on triangular meshes. The scheme combines the accuracy and efficiency of the CPR formulation with the multidimensional characteristics and robustness of the gas-kinetic flux solver. Comparing with high-order finite volume gas-kinetic methods, the current scheme is more compact and efficient by avoiding wide stencils on unstructured meshes. Unlike the traditional CPR method where the inviscid and viscous terms are treated differently, the inviscid and viscous fluxes in the current scheme are coupled and computed uniformly through the kinetic evolution model. In addition, the present scheme adopts a fully coupled spatial and temporal gas distribution function for the flux evaluation, achieving high-order accuracy in both space and time within a single step. Numerical tests with a wide range of flow problems, from nearly incompressible to supersonic flows with strong shocks, for both inviscid and viscous problems, demonstrate the high accuracy and efficiency of the present scheme.

  9. Multiscale high-order/low-order (HOLO) algorithms and applications

    International Nuclear Information System (INIS)

    Chacón, L.; Chen, G.; Knoll, D.A.; Newman, C.; Park, H.; Taitano, W.; Willert, J.A.; Womeldorff, G.

    2017-01-01

    We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

  10. Multiscale high-order/low-order (HOLO) algorithms and applications

    Energy Technology Data Exchange (ETDEWEB)

    Chacón, L., E-mail: chacon@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chen, G.; Knoll, D.A.; Newman, C.; Park, H.; Taitano, W. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Willert, J.A. [Institute for Defense Analyses, Alexandria, VA 22311 (United States); Womeldorff, G. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2017-02-01

    We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

  11. Order-disorder transitions govern kinetic cooperativity and allostery of monomeric human glucokinase.

    Directory of Open Access Journals (Sweden)

    Mioara Larion

    Full Text Available Glucokinase (GCK catalyzes the rate-limiting step of glucose catabolism in the pancreas, where it functions as the body's principal glucose sensor. GCK dysfunction leads to several potentially fatal diseases including maturity-onset diabetes of the young type II (MODY-II and persistent hypoglycemic hyperinsulinemia of infancy (PHHI. GCK maintains glucose homeostasis by displaying a sigmoidal kinetic response to increasing blood glucose levels. This positive cooperativity is unique because the enzyme functions exclusively as a monomer and possesses only a single glucose binding site. Despite nearly a half century of research, the mechanistic basis for GCK's homotropic allostery remains unresolved. Here we explain GCK cooperativity in terms of large-scale, glucose-mediated disorder-order transitions using 17 isotopically labeled isoleucine methyl groups and three tryptophan side chains as sensitive nuclear magnetic resonance (NMR probes. We find that the small domain of unliganded GCK is intrinsically disordered and samples a broad conformational ensemble. We also demonstrate that small-molecule diabetes therapeutic agents and hyperinsulinemia-associated GCK mutations share a strikingly similar activation mechanism, characterized by a population shift toward a more narrow, well-ordered ensemble resembling the glucose-bound conformation. Our results support a model in which GCK generates its cooperative kinetic response at low glucose concentrations by using a millisecond disorder-order cycle of the small domain as a "time-delay loop," which is bypassed at high glucose concentrations, providing a unique mechanism to allosterically regulate the activity of human GCK under physiological conditions.

  12. Tantalum high-temperature oxidation kinetics

    International Nuclear Information System (INIS)

    Grigor'ev, Yu.M.; Sarkisyan, A.A.; Merzhanov, A.G.

    1981-01-01

    Kinetics of heat release and scale growth during tantalum oxidation within 650-1300 deg C temperature range in oxygen-containing media is investigated. Kinetic equations and temperature and pressure dependences of constants are ound Applicability of the kinetic Lorie mechanism for the description of the tantalum oxidation kinetics applicably to rapid-passing processes is shown. It is stated that the process rate (reaction ability) is determined by adsorption desorption factors on the external surface of the ''protective'' oxide for the ''linear'' oxidation stage [ru

  13. Thermal and high pressure inactivation kinetics of blueberry peroxidase.

    Science.gov (United States)

    Terefe, Netsanet Shiferaw; Delon, Antoine; Versteeg, Cornelis

    2017-10-01

    This study for the first time investigated the stability and inactivation kinetics of blueberry peroxidase in model systems (McIlvaine buffer, pH=3.6, the typical pH of blueberry juice) during thermal (40-80°C) and combined high pressure-thermal processing (0.1-690MPa, 30-90°C). At 70-80°C, the thermal inactivation kinetics was best described by a biphasic model with ∼61% labile and ∼39% stable fractions at temperature between 70 and 75°C. High pressure inhibited the inactivation of the enzyme with no inactivation at pressures as high as 690MPa and temperatures less than 50°C. The inactivation kinetics of the enzyme at 60-70°C, and pressures higher than 500MPa was best described by a first order biphasic model with ∼25% labile fraction and 75% stable fraction. The activation energy values at atmospheric pressure were 548.6kJ/mol and 324.5kJ/mol respectively for the stable and the labile fractions. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

  14. Oxidation Kinetics of Ferritic Alloys in High-Temperature Steam Environments

    Science.gov (United States)

    Parker, Stephen S.; White, Josh; Hosemann, Peter; Nelson, Andrew

    2018-02-01

    High-temperature isothermal steam oxidation kinetic parameters of several ferritic alloys were determined by thermogravimetric analysis. The oxidation kinetic constant ( k) was measured as a function of temperature from 900°C to 1200°C. The results show a marked increase in oxidation resistance compared to reference Zircaloy-2, with kinetic constants 3-5 orders of magnitude lower across the experimental temperature range. The results of this investigation supplement previous findings on the properties of ferritic alloys for use as candidate cladding materials and extend kinetic parameter measurements to high-temperature steam environments suitable for assessing accident tolerance for light water reactor applications.

  15. HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

    Energy Technology Data Exchange (ETDEWEB)

    Stefano Orsino

    2005-03-30

    As part of the U.S. Department of Energy (DoE) initiative to improve the efficiency of coal-fired power plants and reduce the pollution generated by these facilities, DOE has funded the High-Pressure Coal Combustion Kinetics (HPCCK) Projects. A series of laboratory experiments were conducted on selected pulverized coals at elevated pressures with the specific goals to provide new data for pressurized coal combustion that will help extend to high pressure and validate models for burnout, pollutant formation, and generate samples of solid combustion products for analyses to fill crucial gaps in knowledge of char morphology and fly ash formation. Two series of high-pressure coal combustion experiments were performed using SRI's pressurized radiant coal flow reactor. The first series of tests characterized the near burner flame zone (NBFZ). Three coals were tested, two high volatile bituminous (Pittsburgh No.8 and Illinois No.6), and one sub-bituminous (Powder River Basin), at pressures of 1, 2, and 3 MPa (10, 20, and 30 atm). The second series of experiments, which covered high-pressure burnout (HPBO) conditions, utilized a range of substantially longer combustion residence times to produce char burnout levels from 50% to 100%. The same three coals were tested at 1, 2, and 3 MPa, as well as at 0.2 MPa. Tests were also conducted on Pittsburgh No.8 coal in CO2 entrainment gas at 0.2, 1, and 2 MPa to begin establishing a database of experiments relevant to carbon sequestration techniques. The HPBO test series included use of an impactor-type particle sampler to measure the particle size distribution of fly ash produced under complete burnout conditions. The collected data have been interpreted with the help of CFD and detailed kinetics simulation to extend and validate devolatilization, char combustion and pollutant model at elevated pressure. A global NOX production sub-model has been proposed. The submodel reproduces the performance of the detailed chemical

  16. Thermoluminescence glow-curve deconvolution functions for mixed order of kinetics and continuous trap distribution

    International Nuclear Information System (INIS)

    Kitis, G.; Gomez-Ros, J.M.

    2000-01-01

    New glow-curve deconvolution functions are proposed for mixed order of kinetics and for continuous-trap distribution. The only free parameters of the presented glow-curve deconvolution functions are the maximum peak intensity (I m ) and the maximum peak temperature (T m ), which can be estimated experimentally together with the activation energy (E). The other free parameter is the activation energy range (ΔE) for the case of the continuous-trap distribution or a constant α for the case of mixed-order kinetics

  17. High-Order Frequency-Locked Loops

    DEFF Research Database (Denmark)

    Golestan, Saeed; Guerrero, Josep M.; Quintero, Juan Carlos Vasquez

    2017-01-01

    In very recent years, some attempts for designing high-order frequency-locked loops (FLLs) have been made. Nevertheless, the advantages and disadvantages of these structures, particularly in comparison with a standard FLL and high-order phase-locked loops (PLLs), are rather unclear. This lack...... study, and its small-signal modeling, stability analysis, and parameter tuning are presented. Finally, to gain insight about advantages and disadvantages of high-order FLLs, a theoretical and experimental performance comparison between the designed second-order FLL and a standard FLL (first-order FLL...

  18. First-order hydrothermal oxidation kinetics of digested sludge compared with raw sludge.

    Science.gov (United States)

    Shanableh, A; Imteaz, M

    2008-09-01

    This article presents an assessment of the first-order hydrothermal oxidation kinetics of a selected digested sludge at subcritical ( 374 degrees C) temperatures in the range of 250-460 degrees C. Furthermore, the results were compared with reported oxidation kinetics of raw sludge treated under identical experimental conditions. In the assessment, oxidation was considered to proceed in two steps: (1) decomposition of the particulate, or non-filterable, chemical oxygen demand (PCOD); followed by (2) ultimate oxidation and removal of the total, particulate and soluble, COD. The accumulation and removal of soluble COD (SCOD) was determined from the difference between the rates of sludge decomposition and ultimate oxidation. Using results from batch and continuous-flow hydrothermal treatment experiments, the reacting organic ingredients were separated into groups according to the ease or difficulty at which they were decomposed or removed, with Arrhenius-type activation energy levels assigned to the different groups. The analysis confirmed that within the treatment range of 75% to more than 97% COD removal, the oxidation kinetics of the digested and raw sludges were nearly identical despite differences in the proportions of their original organic ingredients. The original organic ingredients were mostly removed above 75% COD removal, and the oxidation kinetics appeared to be dominated by the removal of acetic acid, an intermediate by-product which constituted 50% to more than 80% of the remaining COD. Furthermore, the oxidation kinetics of both sludge types were consistent with reported first-order oxidation kinetics of pure acetic acid solutions. The resulting kinetic models adequately represented hydrothermal oxidation of digested sludge, in terms of COD and PCOD removals, as well as accumulation and removal of the soluble SCOD.

  19. Ordering kinetics in quasi-one-dimensional Ising-like systems

    International Nuclear Information System (INIS)

    Mueller, M.; Paul, W.

    1993-01-01

    Results are presented of a Monte Carlo simulation of the kinetics of ordering in the two-dimensional nearest-neighbor Ising model in an L x M geometry with two free boundaries of length M much-gt L. This model can be viewed as representing an adsorbant on a stepped surface with mean terrace width L. The authors follow the ordering kinetics after quenches to temperatures 0.25 ≤T/T c ≤1 starting from a random initial configuration at a coverage of Θ=0.5 in the corresponding lattice gas picture. The systems evolve in time according to a Glauber kinetics with nonconserved order parameter. The equilibrium structure is given by a one-dimensional sequence of ordered domains. The ordering process evolves from a short initial two-dimensional ordering process through a crossover region to a quasi-one-dimensional behavior. The whole process is diffusive (inverse half-width of the structure factor peak 1/Δq parallel ∝ √t), in contrast to a model proposed by Kawasaki et al., where an intermediate logarithmic growth law is expected. All results are completely describable in the picture of an annihilating random walk (ARW) of domain walls. 36 refs., 16 figs

  20. Kinetics of first order phase transformation in metals and alloys. Isothermal evolution in martensite transformation

    International Nuclear Information System (INIS)

    Iwasaki, Hiroshi; Ohshima, Ken-ichi

    2011-01-01

    The 11th lecture about microstructures and fluctuation in solids reports on the martensitic phase transformation of alkali metals and alloys. The martensitic transformation is a diffusionless first order phase transformation. Martensitic transformations are classified into two with respect to kinetics, one is isothermal transformation and the other is athermal transformation. The former transformation depends upon both temperature and time, but the latter solely depends on temperature. The former does not have a definite transformation start temperature but occurs after some finite incubation time during isothermal holding. The isothermal martensitic transformation is changed to the athermal one under high magnetic field, and also the reverse transformation occurs under the application of hydrostatic pressure. The former phenomena were observed in Fe-Ni-Mn alloys, Fe-Ni-Cr alloys and also the reverse transformation in Fe-3.1at%Ni-0.5at%Mn alloys. The athermal transformation was observed in Li and Na metals at 73 and 36 K, respectively. A neutron diffraction study has been performed on single crystals of metallic Na. On cooling the virgin sample, the incubation time to transform from the bcc structure to the low-temperature structure (9R structure) is formed to be more than 2h at 38 K, 2 K higher than the transformation temperature of 36 K. The full width of half maximum of the Bragg reflection suddenly increased, due to some deformation introduced by the nucleation of the low-temperature structure. In relation to the deformation, strong extra-diffuse scattering (Huang scattering) was observed around the Bragg reflection in addition to thermal diffuse scattering. The kinetics of the martensitic transformation in In-Tl alloys has been studied by x-ray and neutron diffraction methods. A characteristic incubation time appeared at fixed temperature above Ms, the normal martensitic transformation start temperature. (author)

  1. Slow coarsening of B2-ordered domains at low temperatures: A kinetic Monte Carlo study

    International Nuclear Information System (INIS)

    Le Floc'h, D.; Bellon, P.; Athenes, M.

    2000-01-01

    The kinetics of the ordering and coarsening of B2-ordered domains is studied using atomistic kinetic Monte Carlo simulations. Special emphasis is put on the effect of annealing temperature, alloy composition, and atom dynamics on the coarsening behavior. When atomic diffusion proceeds by vacancy jumps to nearest-neighbor sites, a transient slow coarsening regime is observed at temperatures below half the order-disorder transition temperature T c . It results in apparent coarsening exponents that decrease with decreasing the annealing temperature. Values as low as 0.14 are measured at 0.25T c . Slow transients take place in both stoichiometric and nonstoichiometric alloys. These regimes are correlated with the transient creation of excess antisites during domain disappearance. Since antiphase boundary mobility decreases with increasing antisite concentration, this transient excess results in the slow coarsening observed in simulations. (c) 2000 The American Physical Society

  2. On the analysis of glow curves with the general order kinetics: Reliability of the computed trap parameters

    Energy Technology Data Exchange (ETDEWEB)

    Ortega, F. [Facultad de Ingeniería (UNCPBA) and CIFICEN (UNCPBA – CICPBA – CONICET), Av. del Valle 5737, 7400 Olavarría (Argentina); Santiago, M.; Martinez, N.; Marcazzó, J.; Molina, P.; Caselli, E. [Instituto de Física Arroyo Seco (UNCPBA) and CIFICEN (UNCPBA – CICPBA – CONICET), Pinto 399, 7000 Tandil (Argentina)

    2017-04-15

    Nowadays the most employed kinetics for analyzing glow curves is the general order kinetics (GO) proposed by C. E. May and J. A. Partridge. As shown in many articles this kinetics might yield wrong parameters characterizing trap and recombination centers. In this article this kinetics is compared with the modified general order kinetics put forward by M. S. Rasheedy by analyzing synthetic glow curves. The results show that the modified kinetics gives parameters, which are more accurate than that yield by the original general order kinetics. A criterion is reported to evaluate the accuracy of the trap parameters found by deconvolving glow curves. This criterion was employed to assess the reliability of the trap parameters of the YVO{sub 4}: Eu{sup 3+} compounds.

  3. High-order passive photonic temporal integrators.

    Science.gov (United States)

    Asghari, Mohammad H; Wang, Chao; Yao, Jianping; Azaña, José

    2010-04-15

    We experimentally demonstrate, for the first time to our knowledge, an ultrafast photonic high-order (second-order) complex-field temporal integrator. The demonstrated device uses a single apodized uniform-period fiber Bragg grating (FBG), and it is based on a general FBG design approach for implementing optimized arbitrary-order photonic passive temporal integrators. Using this same design approach, we also fabricate and test a first-order passive temporal integrator offering an energetic-efficiency improvement of more than 1 order of magnitude as compared with previously reported passive first-order temporal integrators. Accurate and efficient first- and second-order temporal integrations of ultrafast complex-field optical signals (with temporal features as fast as approximately 2.5ps) are successfully demonstrated using the fabricated FBG devices.

  4. Time discretization of the point kinetic equations using matrix exponential method and First-Order Hold

    International Nuclear Information System (INIS)

    Park, Yujin; Kazantzis, Nikolaos; Parlos, Alexander G.; Chong, Kil To

    2013-01-01

    Highlights: • Numerical solution for stiff differential equations using matrix exponential method. • The approximation is based on First Order Hold assumption. • Various input examples applied to the point kinetics equations. • The method shows superior useful and effective activity. - Abstract: A system of nonlinear differential equations is derived to model the dynamics of neutron density and the delayed neutron precursors within a point kinetics equation modeling framework for a nuclear reactor. The point kinetic equations are mathematically characterized as stiff, occasionally nonlinear, ordinary differential equations, posing significant challenges when numerical solutions are sought and traditionally resulting in the need for smaller time step intervals within various computational schemes. In light of the above realization, the present paper proposes a new discretization method inspired by system-theoretic notions and technically based on a combination of the matrix exponential method (MEM) and the First-Order Hold (FOH) assumption. Under the proposed time discretization structure, the sampled-data representation of the nonlinear point kinetic system of equations is derived. The performance of the proposed time discretization procedure is evaluated using several case studies with sinusoidal reactivity profiles and multiple input examples (reactivity and neutron source function). It is shown, that by applying the proposed method under a First-Order Hold for the neutron density and the precursor concentrations at each time step interval, the stiffness problem associated with the point kinetic equations can be adequately addressed and resolved. Finally, as evidenced by the aforementioned detailed simulation studies, the proposed method retains its validity and accuracy for a wide range of reactor operating conditions, including large sampling periods dictated by physical and/or technical limitations associated with the current state of sensor and

  5. High-order beam optics - an overview

    International Nuclear Information System (INIS)

    Heighway, E.A.

    1989-01-01

    Beam-transport codes have been around for as long as thirty years and high order codes, second-order at least, for close to twenty years. Before this period of design-code development, there was considerable high-order treatment, but it was almost entirely analytical. History has a way of repeating itself, and the current excitement in the field of high-order optics is based on the application of Lie algebra and the so-called differential algebra to beam-transport codes, both of which are highly analytical in foundation. The author will describe some of the main design tools available today, giving a little of their history, and will conclude by trying to convey some of the excitement in the field through a brief description of Lie and differential algebra. 30 refs., 7 figs., 1 tab

  6. Carbonate mineral dissolution kinetics in high pressure experiments

    Science.gov (United States)

    Dethlefsen, F.; Dörr, C.; Schäfer, D.; Ebert, M.

    2012-04-01

    The potential CO2 reservoirs in the North German Basin are overlain by a series of Mesozoic barrier rocks and aquifers and finally mostly by Tertiary and Quaternary close-to-surface aquifers. The unexpected rise of stored CO2 from its reservoir into close-to-surface aquifer systems, perhaps through a broken well casing, may pose a threat to groundwater quality because of the acidifying effect of CO2 dissolution in water. The consequences may be further worsening of the groundwater quality due to the mobilization of heavy metals. Buffer mechanisms counteracting the acidification are for instance the dissolution of carbonates. Carbonate dissolution kinetics is comparably fast and carbonates can be abundant in close-to-surface aquifers. The disadvantages of batch experiments compared to column experiments in order to determine rate constants are well known and have for instance been described by v. GRINSVEN and RIEMSDIJK (1992). Therefore, we have designed, developed, tested, and used a high-pressure laboratory column system to simulate aquifer conditions in a flow through setup within the CO2-MoPa project. The calcite dissolution kinetics was determined for CO2-pressures of 6, 10, and 50 bars. The results were evaluated by using the PHREEQC code with a 1-D reactive transport model, applying a LASAGA (1984) -type kinetic dissolution equation (PALANDRI and KHARAKA, 2004; eq. 7). While PALANDRI and KHARAKA (2004) gave calcite dissolution rate constants originating from batch experiments of log kacid = -0.3 and log kneutral = -5.81, the data of the column experiment were best fitted using log kacid = -2.3 and log kneutral = -7.81, so that the rate constants fitted using the lab experiment applying 50 bars pCO2 were approximately 100 times lower than according to the literature data. Rate constants of experiments performed at less CO2 pressure (pCO2 = 6 bars: log kacid = -1.78; log kneutral = -7.29) were only 30 times lower than literature data. These discrepancies in the

  7. Bioinspired Nanocomposite Hydrogels with Highly Ordered Structures.

    Science.gov (United States)

    Zhao, Ziguang; Fang, Ruochen; Rong, Qinfeng; Liu, Mingjie

    2017-12-01

    In the human body, many soft tissues with hierarchically ordered composite structures, such as cartilage, skeletal muscle, the corneas, and blood vessels, exhibit highly anisotropic mechanical strength and functionality to adapt to complex environments. In artificial soft materials, hydrogels are analogous to these biological soft tissues due to their "soft and wet" properties, their biocompatibility, and their elastic performance. However, conventional hydrogel materials with unordered homogeneous structures inevitably lack high mechanical properties and anisotropic functional performances; thus, their further application is limited. Inspired by biological soft tissues with well-ordered structures, researchers have increasingly investigated highly ordered nanocomposite hydrogels as functional biological engineering soft materials with unique mechanical, optical, and biological properties. These hydrogels incorporate long-range ordered nanocomposite structures within hydrogel network matrixes. Here, the critical design criteria and the state-of-the-art fabrication strategies of nanocomposite hydrogels with highly ordered structures are systemically reviewed. Then, recent progress in applications in the fields of soft actuators, tissue engineering, and sensors is highlighted. The future development and prospective application of highly ordered nanocomposite hydrogels are also discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. a Time-Resolved X-Ray Scattering Study of the Ordering Kinetics in COPPER(3)-GOLD

    Science.gov (United States)

    Shannon, Robert Francis, Jr.

    Time-resolved x-ray scattering has been used to study ordering kinetics in single crystal bulk Cu _3Au, as well as in sputtered and molecular beam epitaxy grown films. After annealing at high temperatures the sample is rapidly quenched to fixed temperatures below the order-disorder transition temperature. The development of order is monitored in real time using scattering techniques. The bulk sample clearly showed three regimes: nucleation, ordering, and coarsening. The anisotropic superlattice peaks that reflect the domains structure are investigated in connection with the ordering kinetics. The line shape of the scattering function exhibits a crossover from gaussian to lorentzian-squared as the system goes from the ordering regime to the coarsening regime. Coarsening in Cu_3Au is consistent with curvature driven growth. Domain coarsening in stoichiometric sputtered films is also consistent with curvature driven growth. However, coarsening in copper rich films proceeds much more slowly. The results suggest the extra copper affects the ordering kinetics in the same way diffusive impurities would, resulting in a logarithmic like time dependence. The M.B.E. films show a slowing of the growth at late times. The 4500A film starts out with curvature driven growth but then continuously slows down as the domains grow. The 710A film shows an interesting temperature dependence for the growth, in such a way that at temperatures close to the transition, the domain growth almost freezes at late times. The dominate factor is probably strain, all of the trends for slower growth are consistent with greater strain. The dimensionality in the M.B.E. film systems is considered. The scaling in the 4500A and 710A films is clearly three dimensional. However, the dimension of the scaling in the 260A film is unclear.

  9. Statistics of fermions in the Randall-Wilkins model for kinetics of general order

    International Nuclear Information System (INIS)

    Nieto H, B.; Azorin N, J.; Vazquez C, G.A.

    2004-01-01

    As a theoretical planning of the thermoluminescence phenomena (Tl), we study the behavior of the systems formed by fermions, which are related with this phenomenon establishing a generalization of the Randall-Wilkins model, as for first order kinetics as for general order (equation of May and Partridge) in which we consider a of Fermi-Dirac statistics. As consequence of this study a new variable is manifested: the chemical potential, also we establish its relationship with some of the other magnitudes already known in Tl. (Author)

  10. High order Poisson Solver for unbounded flows

    DEFF Research Database (Denmark)

    Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

    2015-01-01

    This paper presents a high order method for solving the unbounded Poisson equation on a regular mesh using a Green’s function solution. The high order convergence was achieved by formulating mollified integration kernels, that were derived from a filter regularisation of the solution field....... The method was implemented on a rectangular domain using fast Fourier transforms (FFT) to increase computational efficiency. The Poisson solver was extended to directly solve the derivatives of the solution. This is achieved either by including the differential operator in the integration kernel...... the equations of fluid mechanics as an example, but can be used in many physical problems to solve the Poisson equation on a rectangular unbounded domain. For the two-dimensional case we propose an infinitely smooth test function which allows for arbitrary high order convergence. Using Gaussian smoothing...

  11. High temperature oxidation kinetics of dysprosium particles

    Energy Technology Data Exchange (ETDEWEB)

    Jaques, Brian J.; Butt, Darryl P., E-mail: DarrylButt@BoiseState.edu

    2015-09-25

    Highlights: • The oxidation behavior of dysprosium particles was studied from 500 to 1000 °C. • Activation energy in initial region found as 8–25 kJ/mol, depending on atmosphere. • Activation energy in intermediate region found as 80–95 kJ/mol. • The oxide grows at the metal–oxide interface. • Generally, the formed oxide behaved as a p-type semiconductor. - Abstract: Rare earth elements have been recognized as critical materials for the advancement of many strategic and green technologies. Recently, the United States Department of Energy has invested many millions of dollars to enhance, protect, and forecast their production and management. The work presented here attempts to clarify the limited and contradictory literature on the oxidation behavior of the rare earth metal, dysprosium. Dysprosium particles were isothermally oxidized from 500 to 1000 °C in N{sub 2}–(2%, 20%, and 50%) O{sub 2} and Ar–20% O{sub 2} using simultaneous thermal analysis techniques. Two distinct oxidation regions were identified at each isothermal temperature in each oxidizing atmosphere. Initially, the oxidation kinetics are very fast until the reaction enters a slower, intermediate region of oxidation. The two regions are defined and the kinetics of each are assessed to show an apparent activation energy of 8–25 kJ/mol in the initial region and 80–95 kJ/mol in the intermediate oxidation reaction region. The effects of varying the oxygen partial pressure on the reaction rate constant are used to show that dysprosium oxide (Dy{sub 2}O{sub 3}) generally acts as a p-type semiconductor in both regions of oxidation (with an exception above 750 °C in the intermediate region)

  12. Hybrid RANS-LES using high order numerical methods

    Science.gov (United States)

    Henry de Frahan, Marc; Yellapantula, Shashank; Vijayakumar, Ganesh; Knaus, Robert; Sprague, Michael

    2017-11-01

    Understanding the impact of wind turbine wake dynamics on downstream turbines is particularly important for the design of efficient wind farms. Due to their tractable computational cost, hybrid RANS/LES models are an attractive framework for simulating separation flows such as the wake dynamics behind a wind turbine. High-order numerical methods can be computationally efficient and provide increased accuracy in simulating complex flows. In the context of LES, high-order numerical methods have shown some success in predictions of turbulent flows. However, the specifics of hybrid RANS-LES models, including the transition region between both modeling frameworks, pose unique challenges for high-order numerical methods. In this work, we study the effect of increasing the order of accuracy of the numerical scheme in simulations of canonical turbulent flows using RANS, LES, and hybrid RANS-LES models. We describe the interactions between filtering, model transition, and order of accuracy and their effect on turbulence quantities such as kinetic energy spectra, boundary layer evolution, and dissipation rate. This work was funded by the U.S. Department of Energy, Exascale Computing Project, under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.

  13. High-order nonlinear susceptibilities of He

    International Nuclear Information System (INIS)

    Liu, W.C.; Clark, C.W.

    1996-01-01

    High-order nonlinear optical response of noble gases to intense laser radiation is of considerable experimental interest, but is difficult to measure or calculate accurately. The authors have begun a set of calculations of frequency-dependent nonlinear susceptibilities of He 1s, within the framework of Rayleigh=Schroedinger perturbation theory at lowest applicable order, with the goal of providing critically evaluated atomic data for modelling high harmonic generation processes. The atomic Hamiltonian is decomposed in term of Hylleraas coordinates and spherical harmonics using the formalism of Ponte and Shakeshaft, and the hierarchy of inhomogeneous equations of perturbation theory is solved iteratively. A combination of Hylleraas and Frankowski basis functions is used; the compact Hylleraas basis provides a highly accurate representation of the ground state wavefunction, whereas the diffuse Frankowski basis functions efficiently reproduce the correct asymptotic structure of the perturbed orbitals

  14. A Reduced-order NLTE Kinetic Model for Radiating Plasmas of Outer Envelopes of Stellar Atmospheres

    Energy Technology Data Exchange (ETDEWEB)

    Munafò, Alessandro [Aerospace Engineering Department, University of Illinois at Urbana-Champaign, 206A Talbot Lab., 104 S. Wright Street, Urbana, IL 61801 (United States); Mansour, Nagi N. [NASA Ames Research Center, Moffett Field, 94035 CA (United States); Panesi, Marco, E-mail: munafo@illinois.edu, E-mail: nagi.n.mansour@nasa.gov, E-mail: m.panesi@illinois.edu [Aerospace Engineering Department, University of Illinois at Urbana-Champaign, 306 Talbot Lab., 104 S. Wright Street, Urbana, IL 61801 (United States)

    2017-04-01

    The present work proposes a self-consistent reduced-order NLTE kinetic model for radiating plasmas found in the outer layers of stellar atmospheres. A detailed collisional-radiative kinetic mechanism is constructed by leveraging the most up-to-date set of ab initio and experimental data available in the literature. This constitutes the starting point for the derivation of a reduced-order model, obtained by lumping the bound energy states into groups. In order to determine the needed thermo-physical group properties, uniform and Maxwell–Boltzmann energy distributions are used to reconstruct the energy population of each group. Finally, the reduced set of governing equations for the material gas and the radiation field is obtained based on the moment method. Applications consider the steady flow across a shock wave in partially ionized hydrogen. The results clearly demonstrate that adopting a Maxwell–Boltzmann grouping allows, on the one hand, for a substantial reduction of the number of unknowns and, on the other, to maintain accuracy for both gas and radiation quantities. Also, it is observed that, when neglecting line radiation, the use of two groups already leads to a very accurate resolution of the photo-ionization precursor, internal relaxation, and radiative cooling regions. The inclusion of line radiation requires adopting just one additional group to account for optically thin losses in the α , β , and γ lines of the Balmer and Paschen series. This trend has been observed for a wide range of shock wave velocities.

  15. Kinetics of two simultaneous second-order reactions occurring in different zones

    International Nuclear Information System (INIS)

    Dole, M.; Hsu, C.S.; Patel, V.M.; Patel, G.N.

    1975-01-01

    Equations have been derived for the case of free radicals recombining according to the second-order kinetics with or without diffusion control under the conditions that there are two simultaneous spatially separated recombination reactions but that only the overall free-radical concentration can be observed. The properties of these equations are discussed and methods for determining the three independent parameters in the first case and five in the second developed. The resulting equations have been applied to the interpretation of data obtained in studying the decay of allyl chain free radicals in irradiated extended chain crystalline polyethylene

  16. Rapid removal of bisphenol A on highly ordered mesoporous carbon.

    Science.gov (United States)

    Sui, Qian; Huang, Jun; Liu, Yousong; Chang, Xiaofeng; Ji, Guangbin; Deng, Shubo; Xie, Tao; Yu, Gang

    2011-01-01

    Bisphenol A (BPA) is of global concern due to its disruption of endocrine systems and ubiquity in the aquatic environment. It is important, therefore, that efforts are made to remove it from the aqueous phase. A novel adsorbent, mesoporous carbon CMK-3, prepared from hexagonal SBA-15 mesoporous silica was studied for BPA removal from aqueous phase, and compared with conventional powdered activated carbon (PAC). Characterization of CMK-3 by transmission electron microscopy (TEM), X-ray diffraction, and nitrogen adsorption indicated that prepared CMK-3 had an ordered mesoporous structure with a high specific surface area of 920 m2/g and a pore-size of about 4.9 nm. The adsorption of BPA on CMK-3 followed a pseudo second-order kinetic model. The kinetic constant was 0.00049 g/(mg x min), much higher than the adsorption of BPA on PAC. The adsorption isotherm fitted slightly better with the Freundlich model than the Langmuir model, and adsorption capacity decreased as temperature increased from 10 to 40 degrees C. No significant influence of pH on adsorption was observed at pH 3 to 9; however, adsorption capacity decreased dramatically from pH 9 to 13.

  17. High-order nonuniformly correlated beams

    Science.gov (United States)

    Wu, Dan; Wang, Fei; Cai, Yangjian

    2018-02-01

    We have introduced a class of partially coherent beams with spatially varying correlations named high-order nonuniformly correlated (HNUC) beams, as an extension of conventional nonuniformly correlated (NUC) beams. Such beams bring a new parameter (mode order) which is used to tailor the spatial coherence properties. The behavior of the spectral density of the HNUC beams on propagation has been investigated through numerical examples with the help of discrete model decomposition and fast Fourier transform (FFT) algorithm. Our results reveal that by selecting the mode order appropriately, the more sharpened intensity maxima can be achieved at a certain propagation distance compared to that of the NUC beams, and the lateral shift of the intensity maxima on propagation is closed related to the mode order. Furthermore, analytical expressions for the r.m.s width and the propagation factor of the HNUC beams on free-space propagation are derived by means of Wigner distribution function. The influence of initial beam parameters on the evolution of the r.m.s width and the propagation factor, and the relation between the r.m.s width and the occurring of the sharpened intensity maxima on propagation have been studied and discussed in detail.

  18. Generalized first-order kinetic model for biosolids decomposition and oxidation during hydrothermal treatment.

    Science.gov (United States)

    Shanableh, A

    2005-01-01

    The main objective of this study was to develop generalized first-order kinetic models to represent hydrothermal decomposition and oxidation of biosolids within a wide range of temperatures (200-450 degrees C). A lumping approach was used in which oxidation of the various organic ingredients was characterized by the chemical oxygen demand (COD), and decomposition was characterized by the particulate (i.e., nonfilterable) chemical oxygen demand (PCOD). Using the Arrhenius equation (k = k(o)e(-Ea/RT)), activation energy (Ea) levels were derived from 42 continuous-flow hydrothermal treatment experiments conducted at temperatures in the range of 200-450 degrees C. Using predetermined values for k(o) in the Arrhenius equation, the activation energies of the various organic ingredients were separated into 42 values for oxidation and a similar number for decomposition. The activation energy values were then classified into levels representing the relative ease at which the organic ingredients of the biosolids were oxidized or decomposed. The resulting simple first-order kinetic models adequately represented, within the experimental data range, hydrothermal decomposition of the organic particles as measured by PCOD and oxidation of the organic content as measured by COD. The modeling approach presented in the paper provide a simple and general framework suitable for assessing the relative reaction rates of the various organic ingredients of biosolids.

  19. Kinetic competitivity between ordering and solute segregation to dislocations in Cu-20% at. Mn

    International Nuclear Information System (INIS)

    Donoso, E.; Varschavsky, A.

    1997-01-01

    By using differential scanning calorimetry (DSC) energetic measurements associated with the different peaks displayed during linear heating of Cu-20% at. Mn were made, employing quenched and cold-worked materials. Unique to the situation observed in the quenched alloy in which disperse order is developed, in the deformed alloy such process is inhibited by the segregation of solute atoms to partial dislocations. An appropriate model for calculation the energy evolved during the pinning process was applied in order to determine the dislocation density from the exothermic peak designated as stage 4. The computed value, which is in excellent agreement with the one obtained from expressions governing the energy release accompanying recrystallization allows to verify together with microhardness measurements and kinetic analysis that the first observed thermal effect in the deformed materials effectively corresponds a solute segregation process. (Author) 35 refs

  20. High order corrections to the renormalon

    International Nuclear Information System (INIS)

    Faleev, S.V.

    1997-01-01

    High order corrections to the renormalon are considered. Each new type of insertion into the renormalon chain of graphs generates a correction to the asymptotics of perturbation theory of the order of ∝1. However, this series of corrections to the asymptotics is not the asymptotic one (i.e. the mth correction does not grow like m.). The summation of these corrections for the UV renormalon may change the asymptotics by a factor N δ . For the traditional IR renormalon the mth correction diverges like (-2) m . However, this divergence has no infrared origin and may be removed by a proper redefinition of the IR renormalon. On the other hand, for IR renormalons in hadronic event shapes one should naturally expect these multiloop contributions to decrease like (-2) -m . Some problems expected upon reaching the best accuracy of perturbative QCD are also discussed. (orig.)

  1. High order harmonic generation from plasma mirror

    International Nuclear Information System (INIS)

    Thaury, C.

    2008-09-01

    When an intense laser beam is focused on a solid target, its surface is rapidly ionized and forms a dense plasma that reflects the incident field. For laser intensities above few 10 15 W/cm 2 , high order harmonics of the laser frequency, associated in the time domain to a train of atto-second pulses (1 as = 10 18 s), can be generated upon this reflection. Because such a plasma mirror can be used with arbitrarily high laser intensities, this process should eventually lead to the production of very intense pulses in the X-ray domain. In this thesis, we demonstrate that for laser intensities about 10 19 W/cm 2 , two mechanisms can contribute to the generation of high order harmonics: the coherent wake emission and the relativistic emission. These two mechanisms are studied both theoretically and experimentally. In particular, we show that, thanks to very different properties, the harmonics generated by these two processes can be unambiguously distinguished experimentally. We then investigate the phase properties of the harmonic, in the spectral and in the spatial domain. Finally, we illustrate how to exploit the coherence of the generation mechanisms to get information on the dynamics of the plasma electrons. (author)

  2. High Order Semi-Lagrangian Advection Scheme

    Science.gov (United States)

    Malaga, Carlos; Mandujano, Francisco; Becerra, Julian

    2014-11-01

    In most fluid phenomena, advection plays an important roll. A numerical scheme capable of making quantitative predictions and simulations must compute correctly the advection terms appearing in the equations governing fluid flow. Here we present a high order forward semi-Lagrangian numerical scheme specifically tailored to compute material derivatives. The scheme relies on the geometrical interpretation of material derivatives to compute the time evolution of fields on grids that deform with the material fluid domain, an interpolating procedure of arbitrary order that preserves the moments of the interpolated distributions, and a nonlinear mapping strategy to perform interpolations between undeformed and deformed grids. Additionally, a discontinuity criterion was implemented to deal with discontinuous fields and shocks. Tests of pure advection, shock formation and nonlinear phenomena are presented to show performance and convergence of the scheme. The high computational cost is considerably reduced when implemented on massively parallel architectures found in graphic cards. The authors acknowledge funding from Fondo Sectorial CONACYT-SENER Grant Number 42536 (DGAJ-SPI-34-170412-217).

  3. Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

    Science.gov (United States)

    Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

    2018-06-01

    A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

  4. Rate kernel theory for pseudo-first-order kinetics of diffusion-influenced reactions and application to fluorescence quenching kinetics.

    Science.gov (United States)

    Yang, Mino

    2007-06-07

    Theoretical foundation of rate kernel equation approaches for diffusion-influenced chemical reactions is presented and applied to explain the kinetics of fluorescence quenching reactions. A many-body master equation is constructed by introducing stochastic terms, which characterize the rates of chemical reactions, into the many-body Smoluchowski equation. A Langevin-type of memory equation for the density fields of reactants evolving under the influence of time-independent perturbation is derived. This equation should be useful in predicting the time evolution of reactant concentrations approaching the steady state attained by the perturbation as well as the steady-state concentrations. The dynamics of fluctuation occurring in equilibrium state can be predicted by the memory equation by turning the perturbation off and consequently may be useful in obtaining the linear response to a time-dependent perturbation. It is found that unimolecular decay processes including the time-independent perturbation can be incorporated into bimolecular reaction kinetics as a Laplace transform variable. As a result, a theory for bimolecular reactions along with the unimolecular process turned off is sufficient to predict overall reaction kinetics including the effects of unimolecular reactions and perturbation. As the present formulation is applied to steady-state kinetics of fluorescence quenching reactions, the exact relation between fluorophore concentrations and the intensity of excitation light is derived.

  5. Application of finite difference method in the study of diffusion with chemical kinetics of first order

    Directory of Open Access Journals (Sweden)

    Beltrán-Prieto Juan Carlos

    2016-01-01

    Full Text Available The mathematical modelling of diffusion of a bleaching agent into a porous material is studied in the present paper. Law of mass conservation was applied to analize the mass transfer of a reactant from the bulk into the external surface of a solid geometrically described as a flat plate. After diffusion of the reactant, surface reaction following kinetics of first order was considered to take place. The solution of the differential equation that described the process leaded to an equation that represents the concentration profile in function of distance, porosity and Thiele modulus. The case of interfacial mass resistance is also discused. In this case, finite difference method was used for the solution of the differential equation taking into account the respective boundary conditions. The profile of concentration can be obtained after numerical especification of Thiele modulus and Biot number.

  6. High resolution kinetic beam schemes in generalized coordinates for ideal quantum gas dynamics

    International Nuclear Information System (INIS)

    Shi, Yu-Hsin; Huang, J.C.; Yang, J.Y.

    2007-01-01

    A class of high resolution kinetic beam schemes in multiple space dimensions in general coordinates system for the ideal quantum gas is presented for the computation of quantum gas dynamical flows. The kinetic Boltzmann equation approach is adopted and the local equilibrium quantum statistics distribution is assumed. High-order accurate methods using essentially non-oscillatory interpolation concept are constructed. Computations of shock wave diffraction by a circular cylinder in an ideal quantum gas are conducted to illustrate the present method. The present method provides a viable means to explore various practical ideal quantum gas flows

  7. High order harmonic generation from plasma mirrors

    International Nuclear Information System (INIS)

    George, H.

    2010-01-01

    When an intense laser beam is focused on a solid target, the target's surface is rapidly ionized and forms dense plasma that reflects the incident field. For laser intensities above few 10 to the power of 15 Wcm -2 , high order harmonics of the laser frequency, associated in the time domain to a train of atto-second pulses (1 as 10 -18 s), can be generated upon this reflection. In this thesis, we developed numerical tools to reveal original aspects of harmonic generation mechanisms in three different interaction regime: the coherent wake emission, the relativistic emission and the resonant absorption. In particular, we established the role of these mechanisms when the target is a very thin foil (thickness of the order of 100 nm). Then we study experimentally the spectral, spatial and coherence properties of the emitted light. We illustrate how to exploit these measurements to get information on the plasma mirror dynamics on the femtosecond and atto-second time scales. Last, we propose a technique for the single-shot complete characterization of the temporal structure of the harmonic light emission from the laser-plasma mirror interaction. (author)

  8. Kinetic properties of solid yttrium at high temperatures

    International Nuclear Information System (INIS)

    Ivliev, A.D.

    1993-01-01

    Analysis of results of experimental investigation into temperature-diffusivity, specific electroresistance and heat conductivity of yttrium is carried out. Peculiarities of variation of its kinetic characteristics under high temperatures are shown to result from two-band character of energy spectrum of collectivized electrons. In particular, growth of heat conductivity results from reduction of density of heavy electron states under heating. The suggested model describes kinetic characteristics of lutetium, as well. Usage of this model for the rest heavy rare-earth metals enables to make conclusion about reduction of magnetic scattering effcieincy in the rare-earth metals in proportion to approximation to melting temperature

  9. Spectroscopy and kinetics of combustion gases at high temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, R.K.; Bowman, C.T. [Stanford Univ., CA (United States)

    1993-12-01

    This program involves two complementary activities: (1) development and application of cw ring dye laser absorption methods for sensitive detection of radical species and measurement of fundamental spectroscopic parameters at high temperatures; and (2) shock tube studies of reaction kinetics relevant to combustion. Species currently under investigation in the spectroscopic portion of the research include NO and CH{sub 3}; this has necessitated the continued operated at wavelengths in the range 210-230 nm. Shock tube studies of reaction kinetics currently are focussed on reactions involving CH{sub 3} radicals.

  10. Measuring Absolute RNA Copy Numbers at High Temporal Resolution Reveals Transcriptome Kinetics in Development

    Directory of Open Access Journals (Sweden)

    Nick D.L. Owens

    2016-01-01

    Full Text Available Transcript regulation is essential for cell function, and misregulation can lead to disease. Despite technologies to survey the transcriptome, we lack a comprehensive understanding of transcript kinetics, which limits quantitative biology. This is an acute challenge in embryonic development, where rapid changes in gene expression dictate cell fate decisions. By ultra-high-frequency sampling of Xenopus embryos and absolute normalization of sequence reads, we present smooth gene expression trajectories in absolute transcript numbers. During a developmental period approximating the first 8 weeks of human gestation, transcript kinetics vary by eight orders of magnitude. Ordering genes by expression dynamics, we find that “temporal synexpression” predicts common gene function. Remarkably, a single parameter, the characteristic timescale, can classify transcript kinetics globally and distinguish genes regulating development from those involved in cellular metabolism. Overall, our analysis provides unprecedented insight into the reorganization of maternal and embryonic transcripts and redefines our ability to perform quantitative biology.

  11. Effects of temperature on domain-growth kinetics of fourfold-degenerate (2×1) ordering in Ising models

    DEFF Research Database (Denmark)

    Høst-Madsen, Anders; Shah, Peter Jivan; Hansen, Torben

    1987-01-01

    Computer-simulation techniques are used to study the domain-growth kinetics of (2×1) ordering in a two-dimensional Ising model with nonconserved order parameter and with variable ratio α of next-nearest- and nearest-neighbor interactions. At zero temperature, persistent growth characterized...

  12. DISPL-1, 2. Order Nonlinear Partial Differential Equation System Solution for Kinetics Diffusion Problems

    International Nuclear Information System (INIS)

    Leaf, G.K.; Minkoff, M.

    1982-01-01

    1 - Description of problem or function: DISPL1 is a software package for solving second-order nonlinear systems of partial differential equations including parabolic, elliptic, hyperbolic, and some mixed types. The package is designed primarily for chemical kinetics- diffusion problems, although not limited to these problems. Fairly general nonlinear boundary conditions are allowed as well as inter- face conditions for problems in an inhomogeneous medium. The spatial domain is one- or two-dimensional with rectangular Cartesian, cylindrical, or spherical (in one dimension only) geometry. 2 - Method of solution: The numerical method is based on the use of Galerkin's procedure combined with the use of B-Splines (C.W.R. de-Boor's B-spline package) to generate a system of ordinary differential equations. These equations are solved by a sophisticated ODE software package which is a modified version of Hindmarsh's GEAR package, NESC Abstract 592. 3 - Restrictions on the complexity of the problem: The spatial domain must be rectangular with sides parallel to the coordinate geometry. Cross derivative terms are not permitted in the PDE. The order of the B-Splines is at most 12. Other parameters such as the number of mesh points in each coordinate direction, the number of PDE's etc. are set in a macro table used by the MORTRAn2 preprocessor in generating the object code

  13. Equilibrium, kinetic and thermodynamic studies for adsorption of BTEX onto Ordered Mesoporous Carbon (OMC).

    Science.gov (United States)

    Konggidinata, Mas Iwan; Chao, Bing; Lian, Qiyu; Subramaniam, Ramalingam; Zappi, Mark; Gang, Daniel Dianchen

    2017-08-15

    Chemical and petrochemical industries produce substantial amounts of wastewater everyday. This wastewater contains organic pollutants such as benzene, toluene, ethylbenzene and xylenes (BTEX) that are toxic to human and aquatic life. Ordered Mesoporous Carbon (OMC), the adsorbent that possesses the characteristics of an ideal adsorbent was investigated to understand its properties and suitability for BTEX removal. Adsorption isotherms, adsorption kinetics, the effects of initial BTEX concentrations and temperatures on the adsorption process were studied. The OMCs were characterized using surface area and pore size analyzer, transmission electron microscopy (TEM), elemental analysis, thermogravimetric analysis (TGA) and fourier transform infrared spectroscopy (FTIR). The results suggested that the Langmuir Isotherm and Pseudo-Second-Order Models described the experimental data well. The thermodynamic parameters, Gibbs free energy (ΔG°), the enthalpy change (ΔH°) and the entropy change (ΔS°) of adsorption indicated that the adsorption processes were physical, endothermic, and spontaneous. In addition, OMC had 27% higher overall adsorption capacities compared to granular activated carbon (GAC). Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Deterministic three-half-order kinetic model for microbial degradation of added carbon substrates in soil

    International Nuclear Information System (INIS)

    Brunner, W.; Focht, D.D.

    1984-01-01

    The kinetics of mineralization of carbonaceous substrates has been explained by a deterministic model which is applicable to either growth or nongrowth conditions in soils. The mixed-order nature of the model does not require a priori decisions about reaction order, discontinuity period of lag or stationary phase, or correction for endogenous mineralization rates. The integrated equation is simpler than the integrated form of the Monod equation because of the following: (i) only two, rather than four, interdependent constants have to be determined by nonlinear regression analysis, (ii) substrate or product formation can be expressed explicitly as a function of time, (iii) biomass concentration does not have to be known, and (iv) the required initial estimate for the nonlinear regression analysis can be easily obtained from a linearized form rather than from an interval estimate of a differential equation. 14 CO 2 evolution data from soil have been fitted to the model equation. All data except those from irradiated soil gave us better fits by residual sum of squares (RSS) by assuming growth in soil was linear (RSS =0.71) as opposed to exponential (RSS = 2.87). The underlying reasons for growth (exponential versus linear), no growth, and relative degradation rates of substrates are consistent with the basic mechanisms from which the model is derived. 21 references

  15. High-temperature magnetisation measurements on the pearlite transformation kinetics in nearly eutectoid steel

    International Nuclear Information System (INIS)

    Dijk, N.H. van; Offerman, S.E.; Klaasse, J.C.P.; Sietsma, J.; Zwaag, S. van der

    2004-01-01

    The isothermal transformation kinetics of the austenite to pearlite transformation in (nearly) eutectoid steel was studied by in situ magnetisation measurements at high temperatures. In eutectoid steel the high temperature austenite (γ-Fe) phase decomposes into pearlite, which consists of a lamellar structure of ferrite (α-Fe) and cementite (Fe 3 C). Below the Curie temperature of ferrite T C =1043 K the ferrite phase fraction can be probed by the magnetisation measurements. For our nearly eutectoid steel not only pearlite but also a small fraction of pro-eutectoid ferrite is formed. The transformation kinetics of the pearlite and the pro-eutectoid ferrite is studied by magnetisation measurements as a function of the isothermal transformation temperature and compared with the results from additional dilatometry measurements. The transformation kinetics was found to vary over four orders of magnitude over the range of transformation temperatures and was compared with model predictions

  16. Machine Learning Control For Highly Reconfigurable High-Order Systems

    Science.gov (United States)

    2015-01-02

    calibration and applications,” Mechatronics and Embedded Systems and Applications (MESA), 2010 IEEE/ASME International Conference on, IEEE, 2010, pp. 38–43...AFRL-OSR-VA-TR-2015-0012 MACHINE LEARNING CONTROL FOR HIGHLY RECONFIGURABLE HIGH-ORDER SYSTEMS John Valasek TEXAS ENGINEERING EXPERIMENT STATION...DIMENSIONAL RECONFIGURABLE SYSTEMS FA9550-11-1-0302 Period of Performance 1 July 2011 – 29 September 2014 John Valasek Aerospace Engineering

  17. High order harmonic generation in rare gases

    Energy Technology Data Exchange (ETDEWEB)

    Budil, Kimberly Susan [Univ. of California, Davis, CA (United States)

    1994-05-01

    The process of high order harmonic generation in atomic gases has shown great promise as a method of generating extremely short wavelength radiation, extending far into the extreme ultraviolet (XUV). The process is conceptually simple. A very intense laser pulse (I ~1013-1014 W/cm2) is focused into a dense (~1017 particles/cm3) atomic medium, causing the atoms to become polarized. These atomic dipoles are then coherently driven by the laser field and begin to radiate at odd harmonics of the laser field. This dissertation is a study of both the physical mechanism of harmonic generation as well as its development as a source of coherent XUV radiation. Recently, a semiclassical theory has been proposed which provides a simple, intuitive description of harmonic generation. In this picture the process is treated in two steps. The atom ionizes via tunneling after which its classical motion in the laser field is studied. Electron trajectories which return to the vicinity of the nucleus may recombine and emit a harmonic photon, while those which do not return will ionize. An experiment was performed to test the validity of this model wherein the trajectory of the electron as it orbits the nucleus or ion core is perturbed by driving the process with elliptically, rather than linearly, polarized laser radiation. The semiclassical theory predicts a rapid turn-off of harmonic production as the ellipticity of the driving field is increased. This decrease in harmonic production is observed experimentally and a simple quantum mechanical theory is used to model the data. The second major focus of this work was on development of the harmonic "source". A series of experiments were performed examining the spatial profiles of the harmonics. The quality of the spatial profile is crucial if the harmonics are to be used as the source for experiments, particularly if they must be refocused.

  18. Drift-kinetic Alfven modes in high performance tokamaks

    International Nuclear Information System (INIS)

    Jaun, A.; Fasoli, A.F.; Testa, D.; Vaclavik, J.; Villard, L.

    2001-01-01

    The stability of fast-particle driven Alfven eigenmodes is modeled in high performance tokamaks, successively with a conventional shear, an optimized shear and a tight aspect ratio plasma. A large bulk pressure yields global kinetic Alfven eigenmodes that are stabilized by mode conversion in the presence of a divertor. This suggests how conventional reactor scenarii could withstand significant pressure gradients from the fusion products. A large safety factor in the core q 0 >2.5 in deeply shear reversed configurations and a relatively large bulk ion Larmor radius in a low magnetic field can trigger global drift-kinetic Alfven eigenmodes that are unstable in high performance JET, NSTX and ITER plasmas. (author)

  19. Kinematic and Kinetic Evaluation of High Speed Backward Running

    Science.gov (United States)

    1999-06-30

    Designed using Perform Pro , WHS/DIOR, Oct 94 KINEMATIC AND KINETIC EVALUATION OF HIGH SPEED BACKWARD RUNNING by ALAN WAYNE ARATA A DISSERTATION...Project Manager, Engineering Division, Kelly Air Force Base, Texas, 1983-86 AWARDS AND HONORS: All-American, 50yd Freestyle , 1979 Winner, Rocky...redirection #include <stdlib.h> // for exit #include <iomanip.h> // for set precision #include <string.h> // for string copy const int NUMPOINTS

  20. Chemical kinetics studies at high temperatures using shock tubes

    OpenAIRE

    Rajakumar, B; Anandraj, D; Reddy, KPJ; Arunan, E

    2002-01-01

    Shock tube is an unique facility to create temperature gradients exceeding million degrees Kelvin per second. We have established two shock tubes for measuring the kinetic reaction rates at high temperatures with two different but complementary detection techniques. The first one is a single pulse shock tube, in which the reflected shock is used to heat the molecules. The equilibrated products are analyzed by gas chromatograph and infrared spectrometer. The second one uses laser-schlieren sys...

  1. A high performance totally ordered multicast protocol

    Science.gov (United States)

    Montgomery, Todd; Whetten, Brian; Kaplan, Simon

    1995-01-01

    This paper presents the Reliable Multicast Protocol (RMP). RMP provides a totally ordered, reliable, atomic multicast service on top of an unreliable multicast datagram service such as IP Multicasting. RMP is fully and symmetrically distributed so that no site bears un undue portion of the communication load. RMP provides a wide range of guarantees, from unreliable delivery to totally ordered delivery, to K-resilient, majority resilient, and totally resilient atomic delivery. These QoS guarantees are selectable on a per packet basis. RMP provides many communication options, including virtual synchrony, a publisher/subscriber model of message delivery, an implicit naming service, mutually exclusive handlers for messages, and mutually exclusive locks. It has commonly been held that a large performance penalty must be paid in order to implement total ordering -- RMP discounts this. On SparcStation 10's on a 1250 KB/sec Ethernet, RMP provides totally ordered packet delivery to one destination at 842 KB/sec throughput and with 3.1 ms packet latency. The performance stays roughly constant independent of the number of destinations. For two or more destinations on a LAN, RMP provides higher throughput than any protocol that does not use multicast or broadcast.

  2. A highly accurate benchmark for reactor point kinetics with feedback

    International Nuclear Information System (INIS)

    Ganapol, B. D.; Picca, P.

    2010-10-01

    This work apply the concept of convergence acceleration, also known as extrapolation, to find the solution to the reactor kinetics equations describing nuclear reactor transients. The method features simplicity in that an approximate finite difference formulation is constructed and converged to high accuracy from knowledge of how the error term behaves. Through Rom berg extrapolation, we demonstrate its high accuracy for a variety of imposed reactivity insertions found in the literature as well as nonlinear temperature and fission product feedback. A unique feature of the proposed method, called RKE/R(om berg) algorithm, is interval bisection to ensure high accuracy. (Author)

  3. Second-order kinetic model for the sorption of cadmium onto tree fern: a comparison of linear and non-linear methods.

    Science.gov (United States)

    Ho, Yuh-Shan

    2006-01-01

    A comparison was made of the linear least-squares method and a trial-and-error non-linear method of the widely used pseudo-second-order kinetic model for the sorption of cadmium onto ground-up tree fern. Four pseudo-second-order kinetic linear equations are discussed. Kinetic parameters obtained from the four kinetic linear equations using the linear method differed but they were the same when using the non-linear method. A type 1 pseudo-second-order linear kinetic model has the highest coefficient of determination. Results show that the non-linear method may be a better way to obtain the desired parameters.

  4. Modeling and Elucidation of the Kinetics of Multiple Consecutive Photoreactions AB4(4Φ) With Φ-order Kinetics. Application to the Photodegradation of Riboflavin.

    Science.gov (United States)

    Maafi, Mounir; Maafi, Wassila

    2016-12-01

    New semi-empirical rate-law system of equations is proposed for the first time for consecutive photoreactions that involve up to 4 photoreaction steps, AB 4 (4Φ). The equation system was developed, tested, and validated against synthetic kinetic traces generated by fifth-order Runge-Kutta calculations. The model accurately fitted the kinetic traces of Riboflavin photodegradation in ethanol which decomposes via the AB 2 (2Φ) mechanism involving 2 consecutive photoreaction steps. A kinetic elucidation methodology useful for consecutive photoreactions was also proposed to determine all the kinetic parameters and reaction attributes defining AB 2 (2Φ) reactions. The quantum yields of photodegradation, determined for wavelengths in the visible region 400-480 nm, ranged from 0.005 to 0.00756 and 0.0012 to 8 10 -5 for the first and second photoreaction steps, respectively. They were found to increase with wavelength in defined sigmoid functions. For this monochromatic irradiation range, riboflavin proved to be a useful actinometer. Finally, a photodegradation scale based on pseudo-rate-constant values was also proposed for drugs. This scale (including 4 groups) is thought to contribute to rationalizing photodegradation testing and might prove useful in categorizing drugs' photodegradation reactivity. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  5. High-resolution Statistics of Solar Wind Turbulence at Kinetic Scales Using the Magnetospheric Multiscale Mission

    Energy Technology Data Exchange (ETDEWEB)

    Chasapis, Alexandros; Matthaeus, W. H.; Parashar, T. N.; Maruca, B. A. [University of Delaware, Newark, DE (United States); Fuselier, S. A.; Burch, J. L. [Southwest Research Institute, San Antonio, TX (United States); Phan, T. D. [Space Sciences Laboratory, University of California, Berkeley, CA (United States); Moore, T. E.; Pollock, C. J.; Gershman, D. J. [NASA Goddard Space Flight Center, Greenbelt, MD (United States); Torbert, R. B. [University of New Hampshire, Durham, NH (United States); Russell, C. T.; Strangeway, R. J., E-mail: chasapis@udel.edu [University of California, Los Angeles, CA (United States)

    2017-07-20

    Using data from the Magnetospheric Multiscale (MMS) and Cluster missions obtained in the solar wind, we examine second-order and fourth-order structure functions at varying spatial lags normalized to ion inertial scales. The analysis includes direct two-spacecraft results and single-spacecraft results employing the familiar Taylor frozen-in flow approximation. Several familiar statistical results, including the spectral distribution of energy, and the sale-dependent kurtosis, are extended down to unprecedented spatial scales of ∼6 km, approaching electron scales. The Taylor approximation is also confirmed at those small scales, although small deviations are present in the kinetic range. The kurtosis is seen to attain very high values at sub-proton scales, supporting the previously reported suggestion that monofractal behavior may be due to high-frequency plasma waves at kinetic scales.

  6. Kinetics of the high- to low-density amorphous water transition

    International Nuclear Information System (INIS)

    Koza, M M; Schober, H; Fischer, H E; Hansen, T; Fujara, F

    2003-01-01

    In situ neutron diffraction experiments have been carried out to study the kinetics of the transformation of high-density amorphous (HDA) water into its low-density amorphous state at temperatures 87 K ≤ T ≤ 110 K. It is found that three different stages are comprised in this transformation, namely an annealing process of the high-density matrix followed by a first-order-like transition into a low-density state, which can be further annealed at higher temperatures T ≤ 127 K. The annealing kinetics of the HDA state follows the logarithm of time as found in other systems showing polyamorphism. According to the theory of transformation by nucleation and growth the apparent first-order transition follows an Avrami-Kolmogorov behaviour. An energy barrier ΔE ∼ 33 k Jmol -1 is estimated from the temperature dependence of this transition

  7. Pediatric zolpidem ingestion demonstrating zero-order kinetics treated with flumazenil.

    Science.gov (United States)

    Thornton, Stephen L; Negus, Elezer; Carstairs, Shaun D

    2013-11-01

    Zolpidem is a widely prescribed anti-insomnia agent. Although most pediatric zolpidem ingestions are benign, large ingestions can cause significant central nervous system (CNS) depression. Flumazenil has been reported to reverse the CNS effects of zolpidem. We describe a case of a large pediatric zolpidem ingestion resulting in profound CNS depression that responded to flumazenil administration. Serial zolpidem serum levels confirmed the ingestion. A 10-year-old boy with trisomy 21 presented to the emergency department 1 hour after he was found sedate with several zolpidem 5-mg tablets in his mouth. Seventeen tables (85 mg) were unaccounted for from a prescription bottle. He became unarousable approximately 2 hours after his ingestion. Flumazenil 0.2 mg intravenously was given with rapid return to his baseline mental status. He became resedate 1 hour later but was arousable. Sixteen hours after his presentation, he was asymptomatic. Serial zolpidem serum levels were obtained, showed an initial level of 310 ng/mL, and demonstrated zero-order kinetics. Zolpidem is an imidazopyridine, which binds to the benzodiazepine receptor. It is rapidly absorbed and has a short-half life. Unintentional pediatric ingestions of zolpidem are typically well tolerated. However, this case demonstrates that large ingestions may cause significant and prolonged CNS depression. Flumazenil, a benzodiazepine receptor antagonist, has been described to reverse the effects of zolpidem in adult ingestions. There are few published reports describing flumazenil use in pediatric ingestion patients. This case suggests that flumazenil may be an effective treatment for zolpidem-induced CNS depression in the pediatric patient.

  8. Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

    Science.gov (United States)

    Constantin, Lucian A; Fabiano, Eduardo; Della Sala, Fabio

    2017-09-12

    Using the semiclassical neutral atom theory, we developed a modified fourth-order kinetic energy (KE) gradient expansion (GE4m) that keeps unchanged all the linear-response terms of the uniform electron gas and gives a significant improvement with respect to the known semilocal functionals for both large atoms and jellium surfaces. On the other hand, GE4m is not accurate for light atoms; thus, we modified the GE4m coefficients making them dependent on a novel ingredient, the reduced Hartree potential, recently introduced in the Journal of Chemical Physics 2016, 145, 084110, in the context of exchange functionals. The resulting KE gradient expansion functional, named uGE4m, belongs to the novel class of u-meta-generalized-gradient-approximations (uMGGA) whose members depend on the conventional ingredients (i.e., the reduced gradient and Laplacian of the density) as well as on the reduced Hartree potential. To test uGE4m, we defined an appropriate benchmark (including total KE and KE differences for atoms, molecules and jellium clusters) for gradient expansion functionals, that is, including only those systems which are mainly described by a slowly varying density regime. While most of the GGA and meta-GGA KE functionals (we tested 18 of them) are accurate for some properties and inaccurate for others, uGE4m shows a consistently good performance for all the properties considered. This represents a qualitative boost in the KE functional development and highlights the importance of the reduced Hartree potential for the construction of next-generation KE functionals.

  9. Theory of First Order Chemical Kinetics at the Critical Point of Solution.

    Science.gov (United States)

    Baird, James K; Lang, Joshua R

    2017-10-26

    Liquid mixtures, which have a phase diagram exhibiting a miscibility gap ending in a critical point of solution, have been used as solvents for chemical reactions. The reaction rate in the forward direction has often been observed to slow down as a function of temperature in the critical region. Theories based upon the Gibbs free energy of reaction as the driving force for chemical change have been invoked to explain this behavior. With the assumption that the reaction is proceeding under relaxation conditions, these theories expand the free energy in a Taylor series about the position of equilibrium. Since the free energy is zero at equilibrium, the leading term in the Taylor series is proportional to the first derivative of the free energy with respect to the extent of reaction. To analyze the critical behavior of this derivative, the theories exploit the principle of critical point isomorphism, which is thought to govern all critical phenomena. They find that the derivative goes to zero in the critical region, which accounts for the slowing down observed in the reaction rate. As has been pointed out, however, most experimental rate investigations have been carried out under irreversible conditions as opposed to relaxation conditions [Shen et al. J. Phys. Chem. A 2015, 119, 8784-8791]. Below, we consider a reaction governed by first order kinetics and invoke transition state theory to take into account the irreversible conditions. We express the apparent activation energy in terms of thermodynamic derivatives evaluated under standard conditions as well as the pseudoequilibrium conditions associated with the reactant and the activated complex. We show that these derivatives approach infinity in the critical region. The apparent activation energy follows this behavior, and its divergence accounts for the slowing down of the reaction rate.

  10. High order dark wavefront sensing simulations

    Science.gov (United States)

    Ragazzoni, Roberto; Arcidiacono, Carmelo; Farinato, Jacopo; Viotto, Valentina; Bergomi, Maria; Dima, Marco; Magrin, Demetrio; Marafatto, Luca; Greggio, Davide; Carolo, Elena; Vassallo, Daniele

    2016-07-01

    Dark wavefront sensing takes shape following quantum mechanics concepts in which one is able to "see" an object in one path of a two-arm interferometer using an as low as desired amount of light actually "hitting" the occulting object. A theoretical way to achieve such a goal, but in the realm of wavefront sensing, is represented by a combination of two unequal beams interferometer sharing the same incoming light, and whose difference in path length is continuously adjusted in order to show different signals for different signs of the incoming perturbation. Furthermore, in order to obtain this in white light, the path difference should be properly adjusted vs the wavelength used. While we incidentally describe how this could be achieved in a true optomechanical setup, we focus our attention to the simulation of a hypothetical "perfect" dark wavefront sensor of this kind in which white light compensation is accomplished in a perfect manner and the gain is selectable in a numerical fashion. Although this would represent a sort of idealized dark wavefront sensor that would probably be hard to match in the real glass and metal, it would also give a firm indication of the maximum achievable gain or, in other words, of the prize for achieving such device. Details of how the simulation code works and first numerical results are outlined along with the perspective for an in-depth analysis of the performances and its extension to more realistic situations, including various sources of additional noise.

  11. High order QED corrections in Z physics

    International Nuclear Information System (INIS)

    Marck, S.C. van der.

    1991-01-01

    In this thesis a number of calculations of higher order QED corrections are presented, all applying to the standard LEP/SLC processes e + e - → f-bar f, where f stands for any fermion. In cases where f≠ e - , ν e , the above process is only possible via annihilation of the incoming electron positron pair. At LEP/SLC this mainly occurs via the production and the subsequent decay of a Z boson, i.e. the cross section is heavily dominated by the Z resonance. These processes and the corrections to them, treated in a semi-analytical way, are discussed (ch. 2). In the case f = e - (Bhabha scattering) the process can also occur via the exchange of a virtual photon in the t-channel. Since the latter contribution is dominant at small scattering angles one has to exclude these angles if one is interested in Z physics. Having excluded that region one has to recalculate all QED corrections (ch. 3). The techniques introduced there enables for the calculation the difference between forward and backward scattering, the forward backward symmetry, for the cases f ≠ e - , ν e (ch. 4). At small scattering angles, where Bhabha scattering is dominated by photon exchange in the t-channel, this process is used in experiments to determine the luminosity of the e + e - accelerator. hence an accurate theoretical description of this process at small angles is of vital interest to the overall normalization of all measurements at LEP/SLC. Ch. 5 gives such a description in a semi-analytical way. The last two chapters discuss Monte Carlo techniques that are used for the cases f≠ e - , ν e . Ch. 6 describes the simulation of two photon bremsstrahlung, which is a second order QED correction effect. The results are compared with results of the semi-analytical treatment in ch. 2. Finally ch. 7 reviews several techniques that have been used to simulate higher order QED corrections for the cases f≠ e - , ν e . (author). 132 refs.; 10 figs.; 16 tabs

  12. Structural changes of small amplitude kinetic Alfvén solitary waves due to second-order corrections

    International Nuclear Information System (INIS)

    Choi, Cheong R.

    2015-01-01

    The structural changes of kinetic Alfvén solitary waves (KASWs) due to higher-order terms are investigated. While the first-order differential equation for KASWs provides the dispersion relation for kinetic Alfvén waves, the second-order differential equation describes the structural changes of the solitary waves due to higher-order nonlinearity. The reductive perturbation method is used to obtain the second-order and third-order partial differential equations; then, Kodama and Taniuti's technique [J. Phys. Soc. Jpn. 45, 298 (1978)] is applied in order to remove the secularities in the third-order differential equations and derive a linear second-order inhomogeneous differential equation. The solution to this new second-order equation indicates that, as the amplitude increases, the hump-type Korteweg-de Vries solution is concentrated more around the center position of the soliton and that dip-type structures form near the two edges of the soliton. This result has a close relationship with the interpretation of the complex KASW structures observed in space with satellites

  13. Kinetic Energy from Supernova Feedback in High-resolution Galaxy Simulations

    Science.gov (United States)

    Simpson, Christine M.; Bryan, Greg L.; Hummels, Cameron; Ostriker, Jeremiah P.

    2015-08-01

    We describe a new method for adding a prescribed amount of kinetic energy to simulated gas modeled on a cartesian grid by directly altering grid cells’ mass and velocity in a distributed fashion. The method is explored in the context of supernova (SN) feedback in high-resolution (˜10 pc) hydrodynamic simulations of galaxy formation. Resolution dependence is a primary consideration in our application of the method, and simulations of isolated explosions (performed at different resolutions) motivate a resolution-dependent scaling for the injected fraction of kinetic energy that we apply in cosmological simulations of a 109 M⊙ dwarf halo. We find that in high-density media (≳50 cm-3) with coarse resolution (≳4 pc per cell), results are sensitive to the initial kinetic energy fraction due to early and rapid cooling. In our galaxy simulations, the deposition of small amounts of SN energy in kinetic form (as little as 1%) has a dramatic impact on the evolution of the system, resulting in an order-of-magnitude suppression of stellar mass. The overall behavior of the galaxy in the two highest resolution simulations we perform appears to converge. We discuss the resulting distribution of stellar metallicities, an observable sensitive to galactic wind properties, and find that while the new method demonstrates increased agreement with observed systems, significant discrepancies remain, likely due to simplistic assumptions that neglect contributions from SNe Ia and stellar winds.

  14. An efficient and accurate two-stage fourth-order gas-kinetic scheme for the Euler and Navier-Stokes equations

    Science.gov (United States)

    Pan, Liang; Xu, Kun; Li, Qibing; Li, Jiequan

    2016-12-01

    provides a dynamic process of evolution from the kinetic scale particle free transport to the hydrodynamic scale wave propagation, which provides the physics for the non-equilibrium numerical shock structure construction to the near equilibrium NS solution. As a result, with the implementation of the fifth-order WENO initial reconstruction, in the smooth region the current two-stage GKS provides an accuracy of O ((Δx) 5 ,(Δt) 4) for the Euler equations, and O ((Δx) 5 ,τ2 Δt) for the NS equations, where τ is the time between particle collisions. Many numerical tests, including difficult ones for the Navier-Stokes solvers, have been used to validate the current method. Perfect numerical solutions can be obtained from the high Reynolds number boundary layer to the hypersonic viscous heat conducting flow. Following the two-stage time-stepping framework, the third-order GKS flux function can be used as well to construct a fifth-order method with the usage of both first-order and second-order time derivatives of the flux function. The use of time-accurate flux function may have great advantages on the development of higher-order CFD methods.

  15. Bainite formation kinetics in high carbon alloyed steel

    International Nuclear Information System (INIS)

    Luzginova, N.V.; Zhao, L.; Sietsma, J.

    2008-01-01

    In recent years, many investigations have been carried out on the modeling of the bainite formation. In the present work, a physical approach proposed in the literature is implemented to model the formation of lower bainite in high carbon steels (1 wt.% C). In this model, the carbon diffusion is assumed to control the kinetics of the bainite formation. Both the nucleation and the growth rates are considered in an Avrami type analysis. The effect of alloying elements is taken into account considering only the thermodynamics of the system. The results and the physical meaning of the model parameters are discussed. It is shown that the diffusional approach gives a reasonable description of bainite formation kinetics in high carbon steel. Only two fitting parameters are used: the first accounts for carbon grain-boundary diffusion and the second is the initial nucleation-site density. The model satisfactorily accounts for the effect of transformation temperature, but does not take into account the carbide precipitation during bainite formation and the effect of alloying elements on the diffusion coefficient of carbon

  16. Neutron diffraction study of the formation kinetics of ordered antiphase domains in titanium carbohydride TiCxHy

    International Nuclear Information System (INIS)

    Khidirov, I.

    2015-01-01

    The kinetics of formation and growth of ordered antiphase domains (APDs) in titanium carbohydride TiC 0.50 H 0.21 has been investigated by neutron diffraction. A model of ordered APDs is proposed. It is established that the pronounced ordering of interstitial atoms and APDs begin at 450°C. It is shown that the period of ordered APDs (P ≈ 10–12) is independent of the exposure time at a constant temperature. It is found that the temperature of ordered APDs, T OAPD , increases nonlinearly with an increase in the carbon concentration in the range 0.50 ≤ C/Ti ≤ 0.70. The formation temperature of ordered APDs is found to correlate with the concentration dependence of the order–disorder transition temperature and be 0.60 of the order–disorder transition temperature: T APD = 0.60Τ C

  17. X-ray diffraction and Moessbauer studies of structural changes and L10 ordering kinetics during annealing of polycrystalline Fe51Pt49 thin films

    International Nuclear Information System (INIS)

    Spada, F.E.; Parker, F.T.; Platt, C.L.; Howard, J.K.

    2003-01-01

    Room-temperature x-ray diffraction and Moessbauer effect techniques have been used to characterize the structural features and local atomic environments of sputtered Fe 51 Pt 49 thin films following various isothermal treatments. Both techniques show that no significant changes occur in the chemically ordered L1 0 tetragonal phase after it has formed. In contrast, changes in the disordered face-centered-cubic (fcc) phase are observed prior to the transformation into the ordered tetragonal phase. Moessbauer measurements indicate the development of increasing short-range order in the disordered fcc phase with increasing annealing temperature. Asymmetries in the fcc x-ray diffraction profiles also suggest the presence of lattice distortions caused by atomic size differences commonly found in the quenched disordered fcc phase of materials that form ordered structures. Quasi-real-time kinetic measurements of the disorder→order transformation in sputtered Fe 51 Pt 49 thin films within the temperature range 300 deg. C≤T≤400 deg. C have also been conducted using high-temperature x-ray diffraction techniques. Significant differences are observed between the kinetic parameters determined in this study and those of previous reports. It is proposed that these differences arise from the lower temperature range investigated in the present work, where the gradual changes occurring in the fcc phase can influence the rate of the ordering transformation. Furthermore, because the initial state of disorder in Fe ∼50 Pt ∼50 films can be influenced by the deposition conditions, variability in the low-temperature ordering kinetics should be expected among Fe ∼50 Pt ∼50 films prepared under different conditions

  18. Second-order advantage from kinetic-spectroscopic data matrices in the presence of extreme spectral overlapping

    International Nuclear Information System (INIS)

    Culzoni, Maria J.; Goicoechea, Hector C.; Ibanez, Gabriela A.; Lozano, Valeria A.; Marsili, Nilda R.; Olivieri, Alejandro C.; Pagani, Ariana P.

    2008-01-01

    Multivariate curve resolution coupled to alternating least-squares (MCR-ALS) has been employed to model kinetic-spectroscopic second-order data, with focus on the achievement of the important second-order advantage, under conditions of extreme spectral overlapping among sample components. A series of simulated examples shows that MCR-ALS can conveniently handle the studied analytical problem unlike other second-order multivariate calibration algorithms, provided matrix augmentation is implemented in the spectral mode instead of in the usual kinetic mode. The approach has also been applied to three experimental examples, which involve the determination of: (1) the antiparkinsonian carbidopa (analyte) in the presence of levodopa as a potential interferent, both reacting with cerium (IV) to produce the fluorescent species cerium (III) with different kinetics; (2) Fe(II) (analyte) in the presence of the interferent Zn(II), both catalyzing the oxidation of methyl orange with potassium bromate; and (3) tartrazine (analyte) in the presence of the interferent brilliant blue, both oxidized with potassium bromate, with the interferent leading to a product with an absorption spectrum very similar to tartrazine. The results indicate good analytical performance towards the analytes, despite the intense spectral overlapping and the presence of unexpected constituents in the test samples

  19. Second-order advantage from kinetic-spectroscopic data matrices in the presence of extreme spectral overlapping

    Energy Technology Data Exchange (ETDEWEB)

    Culzoni, Maria J. [Laboratorio de Desarrollo Analitico y Quimiometria (LADAQ), Catedra de Quimica Analitica I, Facultad de Bioquimica y Ciencias Biologicas, Universidad Nacional del Litoral, Ciudad Universitaria, Santa Fe S3000ZAA (Argentina); Goicoechea, Hector C. [Laboratorio de Desarrollo Analitico y Quimiometria (LADAQ), Catedra de Quimica Analitica I, Facultad de Bioquimica y Ciencias Biologicas, Universidad Nacional del Litoral, Ciudad Universitaria, Santa Fe S3000ZAA (Argentina)], E-mail: hgoico@fbcb.unl.edu.ar; Ibanez, Gabriela A.; Lozano, Valeria A. [Departamento de Quimica Analitica, Facultad de Ciencias Bioquimicas y Farmaceuticas, Universidad Nacional de Rosario and Instituto de Quimica Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK (Argentina); Marsili, Nilda R. [Laboratorio de Desarrollo Analitico y Quimiometria (LADAQ), Catedra de Quimica Analitica I, Facultad de Bioquimica y Ciencias Biologicas, Universidad Nacional del Litoral, Ciudad Universitaria, Santa Fe S3000ZAA (Argentina); Olivieri, Alejandro C. [Departamento de Quimica Analitica, Facultad de Ciencias Bioquimicas y Farmaceuticas, Universidad Nacional de Rosario and Instituto de Quimica Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK (Argentina)], E-mail: aolivier@fbioyf.unr.edu.ar; Pagani, Ariana P. [Departamento de Quimica Analitica, Facultad de Ciencias Bioquimicas y Farmaceuticas, Universidad Nacional de Rosario and Instituto de Quimica Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK (Argentina)

    2008-04-28

    Multivariate curve resolution coupled to alternating least-squares (MCR-ALS) has been employed to model kinetic-spectroscopic second-order data, with focus on the achievement of the important second-order advantage, under conditions of extreme spectral overlapping among sample components. A series of simulated examples shows that MCR-ALS can conveniently handle the studied analytical problem unlike other second-order multivariate calibration algorithms, provided matrix augmentation is implemented in the spectral mode instead of in the usual kinetic mode. The approach has also been applied to three experimental examples, which involve the determination of: (1) the antiparkinsonian carbidopa (analyte) in the presence of levodopa as a potential interferent, both reacting with cerium (IV) to produce the fluorescent species cerium (III) with different kinetics; (2) Fe(II) (analyte) in the presence of the interferent Zn(II), both catalyzing the oxidation of methyl orange with potassium bromate; and (3) tartrazine (analyte) in the presence of the interferent brilliant blue, both oxidized with potassium bromate, with the interferent leading to a product with an absorption spectrum very similar to tartrazine. The results indicate good analytical performance towards the analytes, despite the intense spectral overlapping and the presence of unexpected constituents in the test samples.

  20. Airfoil noise computation use high-order schemes

    DEFF Research Database (Denmark)

    Zhu, Wei Jun; Shen, Wen Zhong; Sørensen, Jens Nørkær

    2007-01-01

    High-order finite difference schemes with at least 4th-order spatial accuracy are used to simulate aerodynamically generated noise. The aeroacoustic solver with 4th-order up to 8th-order accuracy is implemented into the in-house flow solver, EllipSys2D/3D. Dispersion-Relation-Preserving (DRP) fin...

  1. High-kinetic inductance additive manufactured superconducting microwave cavity

    Science.gov (United States)

    Holland, Eric T.; Rosen, Yaniv J.; Materise, Nicholas; Woollett, Nathan; Voisin, Thomas; Wang, Y. Morris; Torres, Sharon G.; Mireles, Jorge; Carosi, Gianpaolo; DuBois, Jonathan L.

    2017-11-01

    Investigations into the microwave surface impedance of superconducting resonators have led to the development of single photon counters that rely on kinetic inductance for their operation, while concurrent progress in additive manufacturing, "3D printing," opens up a previously inaccessible design space for waveguide resonators. In this manuscript, we present results from the synthesis of these two technologies in a titanium, aluminum, vanadium (Ti-6Al-4V) superconducting radio frequency resonator which exploits a design unattainable through conventional fabrication means. We find that Ti-6Al-4V has two distinct superconducting transition temperatures observable in heat capacity measurements. The higher transition temperature is in agreement with DC resistance measurements, while the lower transition temperature, not previously known in the literature, is consistent with the observed temperature dependence of the superconducting microwave surface impedance. From the surface reactance, we extract a London penetration depth of 8 ± 3 μm—roughly an order of magnitude larger than other titanium alloys and several orders of magnitude larger than other conventional elemental superconductors.

  2. Two-order parameters theory of the metal-insulator phase transition kinetics in the magnetic field

    Science.gov (United States)

    Dubovskii, L. B.

    2018-05-01

    The metal-insulator phase transition is considered within the framework of the Ginzburg-Landau approach for the phase transition described with two coupled order parameters. One of the order parameters is the mass density which variation is responsible for the origin of nonzero overlapping of the two different electron bands and the appearance of free electron carriers. This transition is assumed to be a first-order phase one. The free electron carriers are described with the vector-function representing the second-order parameter responsible for the continuous phase transition. This order parameter determines mostly the physical properties of the metal-insulator transition and leads to a singularity of the surface tension at the metal-insulator interface. The magnetic field is involved into the consideration of the system. The magnetic field leads to new singularities of the surface tension at the metal-insulator interface and results in a drastic variation of the phase transition kinetics. A strong singularity in the surface tension results from the Landau diamagnetism and determines anomalous features of the metal-insulator transition kinetics.

  3. Kinetic energy and scalar spectra in high Rayleigh number axially homogeneous buoyancy driven turbulence

    Science.gov (United States)

    Pawar, Shashikant S.; Arakeri, Jaywant H.

    2016-06-01

    Kinetic energy and scalar spectra from the measurements in high Rayleigh number axially homogeneous buoyancy driven turbulent flow are presented. Kinetic energy and concentration (scalar) spectra are obtained from the experiments wherein density difference is created using brine and fresh water and temperature spectra are obtained from the experiments in which heat is used. Scaling of the frequency spectra of lateral and longitudinal velocity near the tube axis is closer to the Kolmogorov-Obukhov scaling, while the scalar spectra show some evidence of dual scaling, Bolgiano-Obukhov scaling followed by Obukhov-Corrsin scaling. These scalings are also observed in the corresponding second order spatial structure functions of velocity and concentration fluctuations.

  4. Directional and short-range ordering kinetics in metallic alloys, crystalline and amorphous

    International Nuclear Information System (INIS)

    Hillairet, J.

    1985-01-01

    This presentation describes the methods (resistometric and anelastic) based on analysis of stress-induced directional ordering and short-range ordering and their application to the study of metallic alloys, crystalline and amorphous. It focuses on the determination of the atomic mobility and point defect properties. It discusses also the structural information which can be gained by Zener relaxation studies about the order-disorder transition and self-induced directional ordering phenomena

  5. High fidelity kinetic modeling of magnetic reconnection in laboratory plasma

    Science.gov (United States)

    Stanier, A.; Daughton, W. S.

    2017-12-01

    Over the past decade, a great deal of progress has been made towards understanding the physics of magnetic reconnection in weakly collisional regimes of relevance to both fusion devices, and to space and astrophysical plasmas. However, there remain some outstanding unsolved problems in reconnection physics, such as the generation and influence of plasmoids (flux ropes) within reconnection layers, the development of magnetic turbulence, the role of current driven and streaming instabilities, and the influence of electron pressure anisotropy on the layer structure. Due to the importance of these questions, new laboratory reconnection experiments are being built to allow controlled and reproducible study of such questions with the simultaneous acquisition of high time resolution measurements at a large number of spatial points. These experiments include the FLARE facility at Princeton University and the T-REX experiment at the University of Wisconsin. To guide and interpret these new experiments, and to extrapolate the results to space applications, new investments in kinetic modeling tools are required. We have recently developed a cylindrical version of the VPIC Particle-In-Cell code with the capability to perform first-principles kinetic simulations that approach experimental device size with more realistic geometry and drive coils. This cylindrical version inherits much of the optimization work that has been done recently for the next generation many-cores architectures with wider vector registers, and achieves comparable conservation properties as the Cartesian code. Namely it features exact discrete charge conservation, and a so-called "energy-conserving" scheme where the energy is conserved in the limit of continuous time, i.e. without contribution from spatial discretization (Lewis, 1970). We will present initial results of modeling magnetic reconnection in the experiments mentioned above. Since the VPIC code is open source (https

  6. Dehydration Kinetics of Chlorite at High Temperatures and Geophysical Implications

    Science.gov (United States)

    Shen, K.; Wang, D.; Liu, T.

    2017-12-01

    A significant amount of water is released from hydrous phases in subduction zones and the brought into the earth's interior. The resulting flux may trigger earthquakes and arc magmatism. Chlorite is one of the most important hydrous minerals with a high water content of 13.0 wt.% in the deep subduction zones, and the dehydration of chlorites are thought to be associated with many anomalies geophysical observations. To understand the nature of the geology and geophysical phenomenon, further research on the dehydration of chlorite should be carried out. Here we report the new results on dehydration kinetics of chlorite at high temperatures. We investigated the dehydration kinetics of chlorite using thermogravimetric analyses (TGA) and X-ray diffraction. The dehydration experiments were conducted with heating rates of 15, 20, 25 K/min up to 1466K. The fitted TGA data results indicate that the probable dehydroxylation mechanism of chlorite is a three-dimensional diffusion reaction with the Fick's second law. The results reveal that the dehydroxylation reaction can be divided into two stages corresponding to the hydroxyls in the two different layers: the first stage between 853 K and 973 K is related to the dehydroxylation of the interlayer hydroxide with the activation energy (Ea) of 159 kJ/ mol and pre-exponential factor (D0) value of 1.53x10-5 m2/s; the second stage between 973 K and 1093 K with an Ea value of 189 kJ/mol and D0 of 2.1x10-5 m2/s is due to the dehydroxylation of the `talc' layer. The mineral reactions and products were observed by high-temperature X-ray diffraction. There are metastable phases during reactions and product phases exhibited a topotactic relationship. The dehydroxylation reaction of chlorite is controlled by an inhomogeneous mechanism. We determine that the fluid production rates of chlorite are 2.7x10-4s-1, 4.5x10-4s-1, 7.3x10-4s-1, 1.2x10-3s-1, 1.7x10-4s-1, at 863 K, 883 K, 903 K, 923 K, 943 K for isothermal dehydration reaction. Our

  7. Connection between kinetic phenomena and atomic ordering processes and electronic structure of Ni3(FeMe)-type alloys

    International Nuclear Information System (INIS)

    Vasil'eva, R.P.; Arkhipov, Yu.N.; Narkulov, N.; Fadin, V.P.

    1978-01-01

    The results are presented of the measurements of the Hall and the Nernst-Ettingshausen effect and of thermal emf, electric resistivity and magnetization measurements in alloys Ni 3 (FeMe), where Me is Mo, Cr, W. The concentration of additions is not higher than 12.5%. The relationship of the kinetic phenomena with peculiarities of the electron structure and ordering processes is investigated. The obtained data show that the Hall and Nernst-Ettingshausen electromotive forces in the investigated alloys have positive values. The effects of the concentration variations of the investigated phenomena manifest themselves stronger in ordered state, this testifyies to a considerable increase of the part, the hole sections of the Fermi surface play. The investigation enables some conclusions to be made on the energy characteristics of these alloys as a function of the variation of the concentration composition of the alloys and the ordering processes

  8. Fully kinetic particle simulations of high pressure streamer propagation

    Science.gov (United States)

    Rose, David; Welch, Dale; Thoma, Carsten; Clark, Robert

    2012-10-01

    Streamer and leader formation in high pressure devices is a dynamic process involving a hierarchy of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. We have performed 2D and 3D fully EM implicit particle-in-cell simulation model of gas breakdown leading to streamer formation under DC and RF fields. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm [D. R. Welch, et al., J. Comp. Phys. 227, 143 (2007)] that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge. These models are being applied to the analysis of high-pressure gas switches [D. V. Rose, et al., Phys. Plasmas 18, 093501 (2011)] and gas-filled RF accelerator cavities [D. V. Rose, et al. Proc. IPAC12, to appear].

  9. Quantitative fluorescence kinetic analysis of NADH and FAD in human plasma using three- and four-way calibration methods capable of providing the second-order advantage

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Chao [School of Chemistry and Chemical Engineering, Guizhou University, Guiyang 550025 (China); Wu, Hai-Long, E-mail: hlwu@hnu.edu.cn [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Zhou, Chang; Xiang, Shou-Xia; Zhang, Xiao-Hua; Yu, Yong-Jie; Yu, Ru-Qin [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China)

    2016-03-03

    The metabolic coenzymes reduced nicotinamide adenine dinucleotide (NADH) and flavin adenine dinucleotide (FAD) are the primary electron donor and acceptor respectively, participate in almost all biological metabolic pathways. This study develops a novel method for the quantitative kinetic analysis of the degradation reaction of NADH and the formation reaction of FAD in human plasma containing an uncalibrated interferent, by using three-way calibration based on multi-way fluorescence technique. In the three-way analysis, by using the calibration set in a static manner, we directly predicted the concentrations of both analytes in the mixture at any time after the start of their reactions, even in the presence of an uncalibrated spectral interferent and a varying background interferent. The satisfactory quantitative results indicate that the proposed method allows one to directly monitor the concentration of each analyte in the mixture as the function of time in real-time and nondestructively, instead of determining the concentration after the analytical separation. Thereafter, we fitted the first-order rate law to their concentration data throughout their reactions. Additionally, a four-way calibration procedure is developed as an alternative for highly collinear systems. The results of the four-way analysis confirmed the results of the three-way analysis and revealed that both the degradation reaction of NADH and the formation reaction of FAD in human plasma fit the first-order rate law. The proposed methods could be expected to provide promising tools for simultaneous kinetic analysis of multiple reactions in complex systems in real-time and nondestructively. - Highlights: • A novel three-way calibration method for the quantitative kinetic analysis of NADH and FAD in human plasma is proposed. • The method can directly monitor the concentration of each analyte in the reaction in real-time and nondestructively. • The method has the second-order advantage. • A

  10. Quantitative fluorescence kinetic analysis of NADH and FAD in human plasma using three- and four-way calibration methods capable of providing the second-order advantage

    International Nuclear Information System (INIS)

    Kang, Chao; Wu, Hai-Long; Zhou, Chang; Xiang, Shou-Xia; Zhang, Xiao-Hua; Yu, Yong-Jie; Yu, Ru-Qin

    2016-01-01

    The metabolic coenzymes reduced nicotinamide adenine dinucleotide (NADH) and flavin adenine dinucleotide (FAD) are the primary electron donor and acceptor respectively, participate in almost all biological metabolic pathways. This study develops a novel method for the quantitative kinetic analysis of the degradation reaction of NADH and the formation reaction of FAD in human plasma containing an uncalibrated interferent, by using three-way calibration based on multi-way fluorescence technique. In the three-way analysis, by using the calibration set in a static manner, we directly predicted the concentrations of both analytes in the mixture at any time after the start of their reactions, even in the presence of an uncalibrated spectral interferent and a varying background interferent. The satisfactory quantitative results indicate that the proposed method allows one to directly monitor the concentration of each analyte in the mixture as the function of time in real-time and nondestructively, instead of determining the concentration after the analytical separation. Thereafter, we fitted the first-order rate law to their concentration data throughout their reactions. Additionally, a four-way calibration procedure is developed as an alternative for highly collinear systems. The results of the four-way analysis confirmed the results of the three-way analysis and revealed that both the degradation reaction of NADH and the formation reaction of FAD in human plasma fit the first-order rate law. The proposed methods could be expected to provide promising tools for simultaneous kinetic analysis of multiple reactions in complex systems in real-time and nondestructively. - Highlights: • A novel three-way calibration method for the quantitative kinetic analysis of NADH and FAD in human plasma is proposed. • The method can directly monitor the concentration of each analyte in the reaction in real-time and nondestructively. • The method has the second-order advantage. • A

  11. Operational High Resolution Chemical Kinetics Simulation, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Numerical simulations of chemical kinetics are critical to addressing urgent issues in both the developed and developing world. Ongoing demand for higher resolution...

  12. Improved Kinetic Models for High-Speed Combustion Simulation

    National Research Council Canada - National Science Library

    Montgomery, C. J; Tang, Q; Sarofim, A. F; Bockelie, M. J; Gritton, J. K; Bozzelli, J. W; Gouldin, F. C; Fisher, E. M; Chakravarthy, S

    2008-01-01

    Report developed under an STTR contract. The overall goal of this STTR project has been to improve the realism of chemical kinetics in computational fluid dynamics modeling of hydrocarbon-fueled scramjet combustors...

  13. Fast and calibration free determination of first order reaction kinetics in API synthesis using in-situ ATR-FTIR.

    Science.gov (United States)

    Rehbein, Moritz C; Husmann, Sascha; Lechner, Christian; Kunick, Conrad; Scholl, Stephan

    2018-05-01

    In early stages of drug development only sparse amounts of the key substances are available, which is problematic for the determination of important process data like reaction kinetics. Therefore, it is important to perform experiments as economically as possible, especially in regards to limiting compounds. Here we demonstrate the use of a temperature step experiment enabling the determination of complete reaction kinetics in a single non-isothermal experiment. In contrast to the traditionally used HPLC, the method takes advantage of the high measuring rate and the low amount of labor involved in using in-situ ATR-FTIR to determine time-dependent concentration-equivalent data. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Generation of intense high-order vortex harmonics.

    Science.gov (United States)

    Zhang, Xiaomei; Shen, Baifei; Shi, Yin; Wang, Xiaofeng; Zhang, Lingang; Wang, Wenpeng; Xu, Jiancai; Yi, Longqiong; Xu, Zhizhan

    2015-05-01

    This Letter presents for the first time a scheme to generate intense high-order optical vortices that carry orbital angular momentum in the extreme ultraviolet region based on relativistic harmonics from the surface of a solid target. In the three-dimensional particle-in-cell simulation, the high-order harmonics of the high-order vortex mode is generated in both reflected and transmitted light beams when a linearly polarized Laguerre-Gaussian laser pulse impinges on a solid foil. The azimuthal mode of the harmonics scales with its order. The intensity of the high-order vortex harmonics is close to the relativistic region, with the pulse duration down to attosecond scale. The obtained intense vortex beam possesses the combined properties of fine transversal structure due to the high-order mode and the fine longitudinal structure due to the short wavelength of the high-order harmonics. In addition to the application in high-resolution detection in both spatial and temporal scales, it also presents new opportunities in the intense vortex required fields, such as the inner shell ionization process and high energy twisted photons generation by Thomson scattering of such an intense vortex beam off relativistic electrons.

  15. Scavenging and recombination kinetics in a radiation spur: The successive ordered scavenging events

    Science.gov (United States)

    Al-Samra, Eyad H.; Green, Nicholas J. B.

    2018-03-01

    This study describes stochastic models to investigate the successive ordered scavenging events in a spur of four radicals, a model system based on a radiation spur. Three simulation models have been developed to obtain the probabilities of the ordered scavenging events: (i) a Monte Carlo random flight (RF) model, (ii) hybrid simulations in which the reaction rate coefficient is used to generate scavenging times for the radicals and (iii) the independent reaction times (IRT) method. The results of these simulations are found to be in agreement with one another. In addition, a detailed master equation treatment is also presented, and used to extract simulated rate coefficients of the ordered scavenging reactions from the RF simulations. These rate coefficients are transient, the rate coefficients obtained for subsequent reactions are effectively equal, and in reasonable agreement with the simple correction for competition effects that has recently been proposed.

  16. High-Throughput Study of Diffusion and Phase Transformation Kinetics of Magnesium-Based Systems for Automotive Cast Magnesium Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Alan A [The Ohio State Univ., Columbus, OH (United States); Zhao, Ji-Cheng [The Ohio State Univ., Columbus, OH (United States); Riggi, Adrienne [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Joost, William [US Dept. of Energy, Washington, DC (United States)

    2017-10-02

    The objective of the proposed study is to establish a scientific foundation on kinetic modeling of diffusion, phase precipitation, and casting/solidification, in order to accelerate the design and optimization of cast magnesium (Mg) alloys for weight reduction of U.S. automotive fleet. The team has performed the following tasks: 1) study diffusion kinetics of various Mg-containing binary systems using high-throughput diffusion multiples to establish reliable diffusivity and mobility databases for the Mg-aluminum (Al)-zinc (Zn)-tin (Sn)-calcium (Ca)-strontium (Sr)-manganese (Mn) systems; 2) study the precipitation kinetics (nucleation, growth and coarsening) using both innovative dual-anneal diffusion multiples and cast model alloys to provide large amounts of kinetic data (including interfacial energy) and microstructure atlases to enable implementation of the Kampmann-Wagner numerical model to simulate phase transformation kinetics of non-spherical/non-cuboidal precipitates in Mg alloys; 3) implement a micromodel to take into account back diffusion in the solid phase in order to predict microstructure and microsegregation in multicomponent Mg alloys during dendritic solidification especially under high pressure die-casting (HPDC) conditions; and, 4) widely disseminate the data, knowledge and information using the Materials Genome Initiative infrastructure (http://www.mgidata.org) as well as publications and digital data sharing to enable researchers to identify new pathways/routes to better cast Mg alloys.

  17. Ni3Ga - an investigation of ordering kinetics by residual resistometry

    International Nuclear Information System (INIS)

    Semenova, Olga

    2005-01-01

    Order-disorder transformations in the compound Ni 3 Ga with L1 2 superstructure were investigated by residual electrical resistometry during isochronal and isothermal step-annealing treatments. Resistivity measurements after several isochronal annealing treatments at rising and falling temperatures in the range at 293-800 K showed a complex annealing behavior of Ni 3 Ga. The first registration of a slight atomic mobility was identified already at 380 K, followed by the second step in atomic mobility observed between 500 and 650 K and attributed to a change in the degree of long range order (LRO) in the structure. Measurements at isothermal annealing have been performed after isothermal step treatments between 673 and 786 K also at rising and falling temperatures. The analysis of electrical resistivity curves allowed for conclusion that the order-disorder equilibrium in Ni 3 Ga is reached not in a single exponential process, but as a result of two processes with distinctly different rates. The ordering activation energies of both fast and slow processes in Ni 3 Ga were calculated. For the first, fast relaxation process an activation energy parameter was found equal to 1.47 eV; the second, slow process was characterized by an activation energy of 2.66 eV

  18. Efficient Unsteady Flow Visualization with High-Order Access Dependencies

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jiang; Guo, Hanqi; Yuan, Xiaoru

    2016-04-19

    We present a novel high-order access dependencies based model for efficient pathline computation in unsteady flow visualization. By taking longer access sequences into account to model more sophisticated data access patterns in particle tracing, our method greatly improves the accuracy and reliability in data access prediction. In our work, high-order access dependencies are calculated by tracing uniformly-seeded pathlines in both forward and backward directions in a preprocessing stage. The effectiveness of our proposed approach is demonstrated through a parallel particle tracing framework with high-order data prefetching. Results show that our method achieves higher data locality and hence improves the efficiency of pathline computation.

  19. Electron kinetics with attachment and ionization from higher order solutions of Boltzmann's equation

    International Nuclear Information System (INIS)

    Winkler, R.; Wilhelm, J.; Braglia, G.L.

    1989-01-01

    An appropriate approach is presented for solving the Boltzmann equation for electron swarms and nonstationary weakly ionized plasmas in the hydrodynamic stage, including ionization and attachment processes. Using a Legendre-polynomial expansion of the electron velocity distribution function the resulting eigenvalue problem has been solved at any even truncation-order. The technique has been used to study velocity distribution, mean collision frequencies, energy transfer rates, nonstationary behaviour and power balance in hydrodynamic stage, of electrons in a model plasma and a plasma of pure SF 6 . The calculations have been performed for increasing approximation-orders, up to the converged solution of the problem. In particular, the transition from dominant attachment to prevailing ionization when increasing the field strength has been studied. Finally the establishment of the hydrodynamic stage for a selected case in the model plasma has been investigated by solving the nonstationary, spatially homogeneous Boltzmann equation in twoterm approximation. (author)

  20. Disposition of smoked cannabis with high [Delta]9-tetrahydrocannabinol content: A kinetic model.

    NARCIS (Netherlands)

    Hunault, C.C.; van Eijkeren, J.C.; Mensinga, T.T.; de Vries, I.; Leenders, M.E.C.; Meulenbelt, J.

    2010-01-01

    Introduction No model exists to describe the disposition and kinetics of inhaled cannabis containing a high THC dose. We aimed to develop a kinetic model providing estimates of the THC serum concentrations after smoking cannabis cigarettes containing high THC doses (up to 69 mg THC).Methods

  1. Intra-cavity generation of high order LGpl modes

    CSIR Research Space (South Africa)

    Ngcobo, S

    2012-08-01

    Full Text Available with the location of the Laguerre polynomial zeros. The Diffractive optical element is used to shape the TEM00 Gaussian beam and force the laser to operate on a higher order LGpl Laguerre-Gaussian modes or high order superposition of Laguerre-Gaussian modes...

  2. Dosimetric features and kinetic analysis of thermoluminescence from ultra-high molecular weight polyethylene

    Science.gov (United States)

    Chithambo, M. L.

    2012-08-01

    Thermoluminescence (TL) from beta irradiated ultra-high molecular weight polyethylene has been studied for measurements between 30 and 200 °C. An aliquot studied in this work produced TL glow curves consisting of two peaks, the main peak at 88 °C and a weaker intensity peak at 148 °C for heating at 1 °C s-1 following an excitation dose of 215 Gy. The position of the main peak is poorly reproducible for heating rates of 0.2 and 0.6 °C s-1 investigated with the peak position decreasing when the sample is freshly irradiated and the TL re-measured. The said change in peak position is however less of an effect for measurements made at 1 °C s-1 with the peak position being fairly reproducible in this case. Further measurements of the dosimetric properties of ultra-high molecular weight polyethylene showed that its dose response is linear from 26 Gy to about 161 Gy but exhibits slower growth in intensity with dose from about 860 Gy after regions of sub- and supra-linearity in between. If the TL is not measured immediately after irradiation, the signal fades with the delay approximately exponentially. In addition, a number of tests including phosphorescence analysis showed the possibility that the order of kinetics might not be unique but sensitive to several factors including measurement temperature. Thus for instance, the dependence of the peak position on the stop temperature in the partial heating procedure Tm - Tstop implied first-order kinetics but analysis of the geometrical factor μg for the same set of data gave μg = 0.46 ± 0.03 a value corresponding to characteristics somewhat intermediate between first and second order. In comparison, the results of analysis of the phosphorescence recorded at several temperatures on the rising edge of the main peak were only in agreement for measurements at 40 °C with general-order analysis suggesting second-order kinetics apply as did TL-like transformation of the monotonic phosphorescence decay. Both results were

  3. Data on blueberry peroxidase kinetic characterization and stability towards thermal and high pressure processing

    Directory of Open Access Journals (Sweden)

    Netsanet Shiferaw Terefe

    2017-08-01

    Full Text Available The data presented in this article are related to a research article entitled ‘Thermal and high pressure inactivation kinetics of blueberry peroxidase’ (Terefe et al., 2017 [1]. In this article, we report original data on the activity of partially purified blueberry peroxidase at different concentrations of hydrogen peroxide and phenlylenediamine as substrates and the effects of thermal and high pressure processing on the activity of the enzyme. Data on the stability of the enzyme during thermal (at temperatures ranging from 40 to 80 °C and combined thermal-high pressure processing (100–690 MPa, 30–90 °C are included in this report. The data are presented in this format in order to facilitate comparison with data from other researchers and allow statistical analyses and modeling by others in the field.

  4. Second Order Kinetic Modeling of Headspace Solid Phase Microextraction of Flavors Released from Selected Food Model Systems

    Directory of Open Access Journals (Sweden)

    Jiyuan Zhang

    2014-09-01

    Full Text Available The application of headspace-solid phase microextraction (HS-SPME has been widely used in various fields as a simple and versatile method, yet challenging in quantification. In order to improve the reproducibility in quantification, a mathematical model with its root in psychological modeling and chemical reactor modeling was developed, describing the kinetic behavior of aroma active compounds extracted by SPME from two different food model systems, i.e., a semi-solid food and a liquid food. The model accounted for both adsorption and release of the analytes from SPME fiber, which occurred simultaneously but were counter-directed. The model had four parameters and their estimated values were found to be more reproducible than the direct measurement of the compounds themselves by instrumental analysis. With the relative standard deviations (RSD of each parameter less than 5% and root mean square error (RMSE less than 0.15, the model was proved to be a robust one in estimating the release of a wide range of low molecular weight acetates at three environmental temperatures i.e., 30, 40 and 60 °C. More insights of SPME behavior regarding the small molecule analytes were also obtained through the kinetic parameters and the model itself.

  5. A high order solver for the unbounded Poisson equation

    DEFF Research Database (Denmark)

    Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

    In mesh-free particle methods a high order solution to the unbounded Poisson equation is usually achieved by constructing regularised integration kernels for the Biot-Savart law. Here the singular, point particles are regularised using smoothed particles to obtain an accurate solution with an order...... of convergence consistent with the moments conserved by the applied smoothing function. In the hybrid particle-mesh method of Hockney and Eastwood (HE) the particles are interpolated onto a regular mesh where the unbounded Poisson equation is solved by a discrete non-cyclic convolution of the mesh values...... and the integration kernel. In this work we show an implementation of high order regularised integration kernels in the HE algorithm for the unbounded Poisson equation to formally achieve an arbitrary high order convergence. We further present a quantitative study of the convergence rate to give further insight...

  6. Isothermal crystallization kinetics in simulated high-level nuclear waste glass

    International Nuclear Information System (INIS)

    Vienna, J.D.; Hrma, P.; Smith, D.E.

    1997-01-01

    Crystallization kinetics of a simulated high-level waste (HLW) glass were measured and modelled. Kinetics of acmite growth in the standard HW39-4 glass were measured using the isothermal method. A time-temperature-transformation (TTT) diagram was generated from these data. Classical glass-crystal transformation kinetic models were empirically applied to the crystallization data. These models adequately describe the kinetics of crystallization in complex HLW glasses (i.e., RSquared = 0.908). An approach to measurement, fitting, and use of TTT diagrams for prediction of crystallinity in a HLW glass canister is proposed

  7. Analysis and Design of High-Order Parallel Resonant Converters

    Science.gov (United States)

    Batarseh, Issa Eid

    1990-01-01

    In this thesis, a special state variable transformation technique has been derived for the analysis of high order dc-to-dc resonant converters. Converters comprised of high order resonant tanks have the advantage of utilizing the parasitic elements by making them part of the resonant tank. A new set of state variables is defined in order to make use of two-dimensional state-plane diagrams in the analysis of high order converters. Such a method has been successfully used for the analysis of the conventional Parallel Resonant Converters (PRC). Consequently, two -dimensional state-plane diagrams are used to analyze the steady state response for third and fourth order PRC's when these converters are operated in the continuous conduction mode. Based on this analysis, a set of control characteristic curves for the LCC-, LLC- and LLCC-type PRC are presented from which various converter design parameters are obtained. Various design curves for component value selections and device ratings are given. This analysis of high order resonant converters shows that the addition of the reactive components to the resonant tank results in converters with better performance characteristics when compared with the conventional second order PRC. Complete design procedure along with design examples for 2nd, 3rd and 4th order converters are presented. Practical power supply units, normally used for computer applications, were built and tested by using the LCC-, LLC- and LLCC-type commutation schemes. In addition, computer simulation results are presented for these converters in order to verify the theoretical results.

  8. Efficiency of High Order Spectral Element Methods on Petascale Architectures

    KAUST Repository

    Hutchinson, Maxwell; Heinecke, Alexander; Pabst, Hans; Henry, Greg; Parsani, Matteo; Keyes, David E.

    2016-01-01

    High order methods for the solution of PDEs expose a tradeoff between computational cost and accuracy on a per degree of freedom basis. In many cases, the cost increases due to higher arithmetic intensity while affecting data movement minimally. As architectures tend towards wider vector instructions and expect higher arithmetic intensities, the best order for a particular simulation may change. This study highlights preferred orders by identifying the high order efficiency frontier of the spectral element method implemented in Nek5000 and NekBox: the set of orders and meshes that minimize computational cost at fixed accuracy. First, we extract Nek’s order-dependent computational kernels and demonstrate exceptional hardware utilization by hardware-aware implementations. Then, we perform productionscale calculations of the nonlinear single mode Rayleigh-Taylor instability on BlueGene/Q and Cray XC40-based supercomputers to highlight the influence of the architecture. Accuracy is defined with respect to physical observables, and computational costs are measured by the corehour charge of the entire application. The total number of grid points needed to achieve a given accuracy is reduced by increasing the polynomial order. On the XC40 and BlueGene/Q, polynomial orders as high as 31 and 15 come at no marginal cost per timestep, respectively. Taken together, these observations lead to a strong preference for high order discretizations that use fewer degrees of freedom. From a performance point of view, we demonstrate up to 60% full application bandwidth utilization at scale and achieve ≈1PFlop/s of compute performance in Nek’s most flop-intense methods.

  9. Efficiency of High Order Spectral Element Methods on Petascale Architectures

    KAUST Repository

    Hutchinson, Maxwell

    2016-06-14

    High order methods for the solution of PDEs expose a tradeoff between computational cost and accuracy on a per degree of freedom basis. In many cases, the cost increases due to higher arithmetic intensity while affecting data movement minimally. As architectures tend towards wider vector instructions and expect higher arithmetic intensities, the best order for a particular simulation may change. This study highlights preferred orders by identifying the high order efficiency frontier of the spectral element method implemented in Nek5000 and NekBox: the set of orders and meshes that minimize computational cost at fixed accuracy. First, we extract Nek’s order-dependent computational kernels and demonstrate exceptional hardware utilization by hardware-aware implementations. Then, we perform productionscale calculations of the nonlinear single mode Rayleigh-Taylor instability on BlueGene/Q and Cray XC40-based supercomputers to highlight the influence of the architecture. Accuracy is defined with respect to physical observables, and computational costs are measured by the corehour charge of the entire application. The total number of grid points needed to achieve a given accuracy is reduced by increasing the polynomial order. On the XC40 and BlueGene/Q, polynomial orders as high as 31 and 15 come at no marginal cost per timestep, respectively. Taken together, these observations lead to a strong preference for high order discretizations that use fewer degrees of freedom. From a performance point of view, we demonstrate up to 60% full application bandwidth utilization at scale and achieve ≈1PFlop/s of compute performance in Nek’s most flop-intense methods.

  10. Continuum Kinetic Plasma Modeling Using a Conservative 4th-Order Method with AMR

    Science.gov (United States)

    Vogman, Genia; Colella, Phillip

    2012-10-01

    When the number of particles in a Debye sphere is large, a plasma can be accurately represented by a distribution function, which can be treated as a continuous incompressible fluid in phase space. In the most general case the evolution of such a distribution function is described by the 6D Boltzmann-Maxwell partial differential equation system. To address the challenges associated with solving a 6D hyperbolic governing equation, a simpler 3D Vlasov-Poisson system is considered. A 4th-order accurate Vlasov-Poisson model has been developed in one spatial and two velocity dimensions. The governing equation is cast in conservation law form and is solved with a finite volume representation. Adaptive mesh refinement (AMR) is used to allow for efficient use of computational resources while maintaining desired levels of resolution. The model employs a flux limiter to remedy non-physical effects such as numerical dispersion. The model is tested on the two-stream, beam-plasma, and Dory-Guest-Harris instabilities. All results are compared with linear theory.

  11. Enhanced high-order harmonic generation from Argon-clusters

    NARCIS (Netherlands)

    Tao, Yin; Hagmeijer, Rob; Bastiaens, Hubertus M.J.; Goh, S.J.; van der Slot, P.J.M.; Biedron, S.; Milton, S.; Boller, Klaus J.

    2017-01-01

    High-order harmonic generation (HHG) in clusters is of high promise because clusters appear to offer an increased optical nonlinearity. We experimentally investigate HHG from Argon clusters in a supersonic gas jet that can generate monomer-cluster mixtures with varying atomic number density and

  12. A rigorous analysis of high-order electromagnetic invisibility cloaks

    International Nuclear Information System (INIS)

    Weder, Ricardo

    2008-01-01

    There is currently a great deal of interest in the invisibility cloaks recently proposed by Pendry et al that are based on the transformation approach. They obtained their results using first-order transformations. In recent papers, Hendi et al and Cai et al considered invisibility cloaks with high-order transformations. In this paper, we study high-order electromagnetic invisibility cloaks in transformation media obtained by high-order transformations from general anisotropic media. We consider the case where there is a finite number of spherical cloaks located in different points in space. We prove that for any incident plane wave, at any frequency, the scattered wave is identically zero. We also consider the scattering of finite-energy wave packets. We prove that the scattering matrix is the identity, i.e., that for any incoming wave packet the outgoing wave packet is the same as the incoming one. This proves that the invisibility cloaks cannot be detected in any scattering experiment with electromagnetic waves in high-order transformation media, and in particular in the first-order transformation media of Pendry et al. We also prove that the high-order invisibility cloaks, as well as the first-order ones, cloak passive and active devices. The cloaked objects completely decouple from the exterior. Actually, the cloaking outside is independent of what is inside the cloaked objects. The electromagnetic waves inside the cloaked objects cannot leave the concealed regions and vice versa, the electromagnetic waves outside the cloaked objects cannot go inside the concealed regions. As we prove our results for media that are obtained by transformation from general anisotropic materials, we prove that it is possible to cloak objects inside general crystals

  13. Nano-structure computation with coupled momentum phase ordering kinetics models

    International Nuclear Information System (INIS)

    Badalassi, V.E.; Banerjee, S.

    2005-01-01

    When a system such as a binary liquid is cooled rapidly from a homogeneous phase into a two-phase region, domains of the two equilibrium phases form and grow (coarsen) with time. In the absence of external forcing, such as by gravity or an imposed shear flow, a dynamical-scaling regime emerges in which the domain morphology is statistically self-similar at different times, with an overall length-scale (coarsening scale) that grows with time. In the first part of the paper, the scaling phenomenology will be reviewed and the time-dependence of the coarsening scale will be discussed in the context of a number of different physical systems and scaling regimes. In the second part, the influence of external drives, in particular gravity and shear flow, will be addressed and recent results reviewed. In particular, we find that multiple length scales emerge since in the shear case the system coarsens more rapidly in the mean flow direction while in the gravity case the coarsening is more rapid in the direction of the gravity. We characterized the scales by calculations of the anisotropic growth laws. Further for the shear we show that it is possible to control the asymptotic morphology of the phase separation in order to obtain either lamellae or cylindrical structures and potentially create for example nano-conductive wires or materials with particular optical properties. Investigating gravitational effects we find that scaling laws are significantly affected even for small density mismatch or low gravity, and the growth mechanism has some similarities to the sedimentation process

  14. Application of tracer isotope in kinetic study of first order ion exchange reaction

    International Nuclear Information System (INIS)

    Lokhande, R.S.; Singare, P.U.

    1998-01-01

    Analysis of first order ion exchange reaction rates at different temperatures (27 deg- 48 degC) and particularly at low concentration of potassium iodide solution (electrolyte) ranging from 0.005 M to 0.040 M is carried out by application of radioactive tracer isotope 131 I. With increase in concentration of electrolyte, amount of iodide ion exchanged in millimoles increases. Specific reaction rates of ion exchange reaction are calculated for different temperatures and for different amount of ion exchange resins. It is observed that with increase in temperature, reaction rate increases but the increase is more pronounced for increase in amount of ion exchange resins. For 0.005 M solution of electrolyte, the reaction rate increases from 0.121 min -1 at 27 degC to 0.178 min -1 at 48 degC. For 0.005 M solution of electrolyte the reaction rate increases from 0.121 min -1 at 27 degC to 0.178 min 1 at 48 degC. For 0.005 M solution of electrolyte at 27 degC the reaction rate increases from 0.121 min -1 for 1.0 g of resin to 0.368 min -1 for 5.0 g of resin. From the reaction rates calculated at different temperatures, energy of activation in kJ/mole is calculated. It is observed that for 0.005 M solution of electrolyte, energy of activation is 4.62 kJ/mole which decreases to 2.87 kJ/mole for increase in concentration of electrolyte to 0.100 M. (author)

  15. Determination of kinetic coefficients for proton-nucleus collisions at high energy

    International Nuclear Information System (INIS)

    Rizzato, C.M.

    1987-01-01

    From the effective proton dynamics, the approximations in the context of high energy collisions which lead to the Boltzmann equation, are established. From this equation, general expressions for the kinetic coefficients are deduced. Using a simple model, analytical expressions for kinetic coefficients are obtained. The importance of the effect of Pauli blocking is also shown. (author) [pt

  16. Insights into Sonogashira cross-coupling by high-throughput kinetics and descriptor modeling

    NARCIS (Netherlands)

    an der Heiden, M.R.; Plenio, H.; Immel, S.; Burello, E.; Rothenberg, G.; Hoefsloot, H.C.J.

    2008-01-01

    A method is presented for the high-throughput monitoring of reaction kinetics in homogeneous catalysis, running up to 25 coupling reactions in a single reaction vessel. This method is demonstrated and validated on the Sonogashira reaction, analyzing the kinetics for almost 500 coupling reactions.

  17. Analytical Expressions for the Mixed-Order Kinetics Parameters of TL Glow Peaks Based on the two Heating Rates Method.

    Science.gov (United States)

    Maghrabi, Mufeed; Al-Abdullah, Tariq; Khattari, Ziad

    2018-03-24

    The two heating rates method (originally developed for first-order glow peaks) was used for the first time to evaluate the activation energy (E) from glow peaks obeying mixed-order (MO) kinetics. The derived expression for E has an insignificant additional term (on the scale of a few meV) when compared with the first-order case. Hence, the original expression for E using the two heating rates method can be used with excellent accuracy in the case of MO glow peaks. In addition, we derived a simple analytical expression for the MO parameter. The present procedure has the advantage that the MO parameter can now be evaluated using analytical expression instead of using the graphical representation between the geometrical factor and the MO parameter as given by the existing peak shape methods. The applicability of the derived expressions for real samples was demonstrated for the glow curve of Li 2 B 4 O 7 :Mn single crystal. The obtained parameters compare very well with those obtained by glow curve fitting and with the available published data.

  18. High-pressure processing of apple juice: kinetics of pectin methyl esterase inactivation.

    Science.gov (United States)

    Riahi, Esmaeil; Ramaswamy, Hosahalli S

    2003-01-01

    High-pressure (HP) inactivation kinetics of pectin methyl esterase (PME) in apple juice were evaluated. Commercial PME was dispensed in clarified apple juice, sealed in dual peel sterilizable plastic bags, and subjected to different high-pressure processing conditions (200-400 MPa, 0-180 min). Residual enzyme activity was determined by a titration method estimating the rate of free carboxyl group released by the enzyme acting on pectin substrate at pH 7.5 (30 degrees C). The effects of pressure level and pressure holding time on enzyme inactivation were significant (p < 0.05). PME from the microbial source was found to be more resistant (p < 0.05) to pressure inactivation than PME from the orange peel. Almost a full decimal reduction in the activity of commercial PME was achieved by HP treatment at 400 MPa for 25 min. Inactivation kinetics were evaluated on the basis of a dual effect model involving a pressure pulse effect and a first-order rate model, and the pressure sensitivity of rate constants was modeled by using the z-value concept.

  19. Highly multiplexible thermal kinetic inductance detectors for x-ray imaging spectroscopy

    International Nuclear Information System (INIS)

    Ulbricht, Gerhard; Mazin, Benjamin A.; Szypryt, Paul; Walter, Alex B.; Bockstiegel, Clint; Bumble, Bruce

    2015-01-01

    For X-ray imaging spectroscopy, high spatial resolution over a large field of view is often as important as high energy resolution, but current X-ray detectors do not provide both in the same device. Thermal Kinetic Inductance Detectors (TKIDs) are being developed as they offer a feasible way to combine the energy resolution of transition edge sensors with pixel counts approaching CCDs and thus promise significant improvements for many X-ray spectroscopy applications. TKIDs are a variation of Microwave Kinetic Inductance Detectors (MKIDs) and share their multiplexibility: working MKID arrays with 2024 pixels have recently been demonstrated and much bigger arrays are under development. In this work, we present a TKID prototype, which is able to achieve an energy resolution of 75 eV at 5.9 keV, even though its general design still has to be optimized. We further describe TKID fabrication, characterization, multiplexing, and working principle and demonstrate the necessity of a data fitting algorithm in order to extract photon energies. With further design optimizations, we expect to be able to improve our TKID energy resolution to less than 10 eV at 5.9 keV

  20. Highly multiplexible thermal kinetic inductance detectors for x-ray imaging spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ulbricht, Gerhard, E-mail: ulbricht@physics.ucsb.edu; Mazin, Benjamin A.; Szypryt, Paul; Walter, Alex B.; Bockstiegel, Clint [Department of Physics, University of California, Santa Barbara, California 93106 (United States); Bumble, Bruce [NASA Jet Propulsion Laboratory, 4800 Oak Grove Drive, Pasadena, California 91125 (United States)

    2015-06-22

    For X-ray imaging spectroscopy, high spatial resolution over a large field of view is often as important as high energy resolution, but current X-ray detectors do not provide both in the same device. Thermal Kinetic Inductance Detectors (TKIDs) are being developed as they offer a feasible way to combine the energy resolution of transition edge sensors with pixel counts approaching CCDs and thus promise significant improvements for many X-ray spectroscopy applications. TKIDs are a variation of Microwave Kinetic Inductance Detectors (MKIDs) and share their multiplexibility: working MKID arrays with 2024 pixels have recently been demonstrated and much bigger arrays are under development. In this work, we present a TKID prototype, which is able to achieve an energy resolution of 75 eV at 5.9 keV, even though its general design still has to be optimized. We further describe TKID fabrication, characterization, multiplexing, and working principle and demonstrate the necessity of a data fitting algorithm in order to extract photon energies. With further design optimizations, we expect to be able to improve our TKID energy resolution to less than 10 eV at 5.9 keV.

  1. High Order Differential Frequency Hopping: Design and Analysis

    Directory of Open Access Journals (Sweden)

    Yong Li

    2015-01-01

    Full Text Available This paper considers spectrally efficient differential frequency hopping (DFH system design. Relying on time-frequency diversity over large spectrum and high speed frequency hopping, DFH systems are robust against hostile jamming interference. However, the spectral efficiency of conventional DFH systems is very low due to only using the frequency of each channel. To improve the system capacity, in this paper, we propose an innovative high order differential frequency hopping (HODFH scheme. Unlike in traditional DFH where the message is carried by the frequency relationship between the adjacent hops using one order differential coding, in HODFH, the message is carried by the frequency and phase relationship using two-order or higher order differential coding. As a result, system efficiency is increased significantly since the additional information transmission is achieved by the higher order differential coding at no extra cost on either bandwidth or power. Quantitative performance analysis on the proposed scheme demonstrates that transmission through the frequency and phase relationship using two-order or higher order differential coding essentially introduces another dimension to the signal space, and the corresponding coding gain can increase the system efficiency.

  2. Electrochemical assisted photocatalytic degradation of salicylic acid with highly ordered TiO{sub 2} nanotube electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Qian [The State Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Zhu, Jinwei [China Aerospace Science and Technology Corporation Fourty-fourth Research Institution (China); Wang, Ying; Feng, Jiangtao [Department of Environmental Science and Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Yan, Wei, E-mail: yanwei@mail.xjtu.edu.cn [The State Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Department of Environmental Science and Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Xu, Hao, E-mail: xuhao@mail.xjtu.edu.cn [Department of Environmental Science and Engineering, Xi’an Jiaotong University, Xi’an 710049 (China)

    2014-07-01

    To explore the kinetics of photoelectrocatalytic degradation of salicylic acid, one of the important PPCPs, highly ordered TiO{sub 2} nanotube arrays (NTs) were prepared by the electrochemical anodization and characterized with scanning electron microscopy and X-ray diffraction techniques. The effect of TiO{sub 2} NTs properties, bias potential, initial salicylic acid concentration and solution pH on the degradation efficiency was studied and carefully analyzed. The results revealed that the salicylic acid degradation follows quasi-first order kinetics in the photoelectrocatalytic process, and the fastest decay kinetics was achieved in acidic environment (pH 2). The result was further interpreted through the electrochemical impedance spectroscopy. It is confirmed that the electrochemical assisted photocatalysis is a synergetic approach to combat stable organic substances with improved efficiency.

  3. Static and kinetic friction of granite at high normal stress

    Science.gov (United States)

    Byerlee, J.D.

    1970-01-01

    Frictional sliding on ground surfaces of granite, angle of sliding planes 30?? and 45??, was investigated as a function of confining pressure. Over the normal stress range of 2-12 kb, the static frictional shear stress ??s follows the relationship ??s = 0??5 + 0?? ??n and the kinetic frictional shear stress ??k was calculated to be ??k = 0??25 + 0??47 ??n. ?? 1970.

  4. Devolatilization kinetics of woody biomass at short residence times and high heating rates and peak temperatures

    DEFF Research Database (Denmark)

    Johansen, Joakim M.; Gadsbøll, Rasmus; Thomsen, Jesper

    2016-01-01

    This work combines experimental and computational fluid dynamics (CFD) results to derive global kinetics for biomass (pine wood) devolatilization during heating rates on the order of 105Ks-1, bulk flow peak temperatures between 1405 and 1667K, and particle residence times below 0.1s. Experiments......Jmol-1. The accuracy of the derived global kinetics was supported by comparing predictions to experimental results from a 15kW furnace. The work emphasizes the importance of characterizing the temperature history of the biomass particles when deriving pyrolysis kinetics. The present results indicate...

  5. Dynamic Stability Analysis Using High-Order Interpolation

    Directory of Open Access Journals (Sweden)

    Juarez-Toledo C.

    2012-10-01

    Full Text Available A non-linear model with robust precision for transient stability analysis in multimachine power systems is proposed. The proposed formulation uses the interpolation of Lagrange and Newton's Divided Difference. The High-Order Interpolation technique developed can be used for evaluation of the critical conditions of the dynamic system.The technique is applied to a 5-area 45-machine model of the Mexican interconnected system. As a particular case, this paper shows the application of the High-Order procedure for identifying the slow-frequency mode for a critical contingency. Numerical examples illustrate the method and demonstrate the ability of the High-Order technique to isolate and extract temporal modal behavior.

  6. Electrochemical Hydrogen Storage in a Highly Ordered Mesoporous Carbon

    Directory of Open Access Journals (Sweden)

    Dan eLiu

    2014-10-01

    Full Text Available A highly order mesoporous carbon has been synthesized through a strongly acidic, aqueous cooperative assembly route. The structure and morphology of the carbon material were investigated using TEM, SEM and nitrogen adsorption-desorption isotherms. The carbon was proven to be meso-structural and consisted of graphitic micro-domain with larger interlayer space. AC impedance and electrochemical measurements reveal that the synthesized highly ordered mesoporous carbon exhibits a promoted electrochemical hydrogen insertion process and improved capacitance and hydrogen storage stability. The meso-structure and enlarged interlayer distance within the highly ordered mesoporous carbon are suggested as possible causes for the enhancement in hydrogen storage. Both hydrogen capacity in the carbon and mass diffusion within the matrix were improved.

  7. A high order solver for the unbounded Poisson equation

    DEFF Research Database (Denmark)

    Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

    2013-01-01

    . The method is extended to directly solve the derivatives of the solution to Poissonʼs equation. In this way differential operators such as the divergence or curl of the solution field can be solved to the same high order convergence without additional computational effort. The method, is applied......A high order converging Poisson solver is presented, based on the Greenʼs function solution to Poissonʼs equation subject to free-space boundary conditions. The high order convergence is achieved by formulating regularised integration kernels, analogous to a smoothing of the solution field...... and validated, however not restricted, to the equations of fluid mechanics, and can be used in many applications to solve Poissonʼs equation on a rectangular unbounded domain....

  8. Retrieval of high-order susceptibilities of nonlinear metamaterials

    International Nuclear Information System (INIS)

    Wang Zhi-Yu; Qiu Jin-Peng; Chen Hua; Mo Jiong-Jiong; Yu Fa-Xin

    2017-01-01

    Active metamaterials embedded with nonlinear elements are able to exhibit strong nonlinearity in microwave regime. However, existing S -parameter based parameter retrieval approaches developed for linear metamaterials do not apply in nonlinear cases. In this paper, a retrieval algorithm of high-order susceptibilities for nonlinear metamaterials is derived. Experimental demonstration shows that, by measuring the power level of each harmonic while sweeping the incident power, high-order susceptibilities of a thin-layer nonlinear metamaterial can be effectively retrieved. The proposedapproach can be widely used in the research of active metamaterials. (paper)

  9. High-order harmonic generation with short-pulse lasers

    International Nuclear Information System (INIS)

    Schafer, K.J.; Krause, J.L.; Kulander, K.C.

    1992-12-01

    Recent progress in the understanding of high-order harmonic conversion from atoms and ions exposed to high-intensity, short-pulse optical lasers is reviewed. We find that ions can produce harmonics comparable in strength to those obtained from neutral atoms, and that the emission extends to much higher order. Simple scaling laws for the strength of the harmonic emission and the maximium observable harmonic are suggested. These results imply that the photoemission observed in recent experiments in helium and neon contains contributions from ions as well as neutrals

  10. Ductile long range ordered alloys with high critical ordering temperature and wrought articles fabricated therefrom

    Science.gov (United States)

    Liu, Chain T.; Inouye, Henry

    1979-01-01

    Malleable long range ordered alloys having high critical ordering temperatures exist in the V(Fe, Co).sub.3 and V(Fe, Co, Ni).sub.3 systems. These alloys have the following compositions comprising by weight: 22-23% V, 14-30% Fe, and the remainder Co or Co and Ni with an electron density no more than 7.85. The maximum combination of high temperature strength, ductility and creep resistance are manifested in the alloy comprising by weight 22-23% V, 14-20% Fe and the remainder Co and having an atomic composition of V(Fe .sub.0.20-0.26 C Co.sub.0.74-0.80).sub.3. The alloy comprising by weight 22-23% V, 16-17% Fe and 60-62% Co has excellent high temperature properties. The alloys are fabricable into wrought articles by casting, deforming, and annealing for sufficient time to provide ordered structure.

  11. High-Order Curvilinear Finite Element Methods for Lagrangian Hydrodynamics [High Order Curvilinear Finite Elements for Lagrangian Hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Dobrev, Veselin A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Kolev, Tzanio V. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Rieben, Robert N. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2012-09-20

    The numerical approximation of the Euler equations of gas dynamics in a movingLagrangian frame is at the heart of many multiphysics simulation algorithms. Here, we present a general framework for high-order Lagrangian discretization of these compressible shock hydrodynamics equations using curvilinear finite elements. This method is an extension of the approach outlined in [Dobrev et al., Internat. J. Numer. Methods Fluids, 65 (2010), pp. 1295--1310] and can be formulated for any finite dimensional approximation of the kinematic and thermodynamic fields, including generic finite elements on two- and three-dimensional meshes with triangular, quadrilateral, tetrahedral, or hexahedral zones. We discretize the kinematic variables of position and velocity using a continuous high-order basis function expansion of arbitrary polynomial degree which is obtained via a corresponding high-order parametric mapping from a standard reference element. This enables the use of curvilinear zone geometry, higher-order approximations for fields within a zone, and a pointwise definition of mass conservation which we refer to as strong mass conservation. Moreover, we discretize the internal energy using a piecewise discontinuous high-order basis function expansion which is also of arbitrary polynomial degree. This facilitates multimaterial hydrodynamics by treating material properties, such as equations of state and constitutive models, as piecewise discontinuous functions which vary within a zone. To satisfy the Rankine--Hugoniot jump conditions at a shock boundary and generate the appropriate entropy, we introduce a general tensor artificial viscosity which takes advantage of the high-order kinematic and thermodynamic information available in each zone. Finally, we apply a generic high-order time discretization process to the semidiscrete equations to develop the fully discrete numerical algorithm. Our method can be viewed as the high-order generalization of the so-called staggered

  12. Kinetic and Potential Sputtering of Lunar Regolith: The Contribution of the Heavy Highly Charged (Minority) Solar Wind Ions

    Science.gov (United States)

    Meyer, F. W.; Barghouty, A. F.

    2012-01-01

    Solar wind sputtering of the lunar surface helps determine the composition of the lunar exosphere and contributes to surface weathering. To date, only the effects of the two dominant solar wind constituents, H+ and He+, have been considered. The heavier, less abundant solar wind constituents have much larger sputtering yields because they have greater mass (kinetic sputtering) and they are highly charged (potential sputtering) Their contribution to total sputtering can therefore be orders of magnitude larger than their relative abundances would suggest

  13. Single-Molecule Kinetics Reveal Cation-Promoted DNA Duplex Formation Through Ordering of Single-Stranded Helices

    Science.gov (United States)

    Dupuis, Nicholas F.; Holmstrom, Erik D.; Nesbitt, David J.

    2013-01-01

    In this work, the kinetics of short, fully complementary oligonucleotides are investigated at the single-molecule level. Constructs 6–9 bp in length exhibit single exponential kinetics over 2 orders of magnitude time for both forward (kon, association) and reverse (koff, dissociation) processes. Bimolecular rate constants for association are weakly sensitive to the number of basepairs in the duplex, with a 2.5-fold increase between 9 bp (k′on = 2.1(1) × 106 M−1 s−1) and 6 bp (k′on = 5.0(1) × 106 M−1 s−1) sequences. In sharp contrast, however, dissociation rate constants prove to be exponentially sensitive to sequence length, varying by nearly 600-fold over the same 9 bp (koff = 0.024 s−1) to 6 bp (koff = 14 s−1) range. The 8 bp sequence is explored in more detail, and the NaCl dependence of kon and koff is measured. Interestingly, konincreases by >40-fold (kon = 0.10(1) s−1 to 4.0(4) s−1 between [NaCl] = 25 mM and 1 M), whereas in contrast, koffdecreases by fourfold (0.72(3) s−1 to 0.17(7) s−1) over the same range of conditions. Thus, the equilibrium constant (Keq) increases by ≈160, largely due to changes in the association rate, kon. Finally, temperature-dependent measurements reveal that increased [NaCl] reduces the overall exothermicity (ΔΔH° > 0) of duplex formation, albeit by an amount smaller than the reduction in entropic penalty (−TΔΔS° duplex formation. PMID:23931323

  14. High pressure thermal inactivation of Clostridium botulinum type E endospores – kinetic modeling and mechanistic insights

    Directory of Open Access Journals (Sweden)

    Christian Andreas Lenz

    2015-07-01

    Full Text Available Cold-tolerant, neurotoxigenic, endospore forming Clostridium (C. botulinum type E belongs to the non-proteolytic physiological C. botulinum group II, is primarily associated with aquatic environments, and presents a safety risk for seafood. High pressure thermal (HPT processing exploiting the synergistic effect of pressure and temperature can be used to inactivate bacterial endospores.We investigated the inactivation of C. botulinum type E spores by (near isothermal HPT treatments at 300 – 1200 MPa at 30 – 75 °C for 1 s – 10 min. The occurrence of heat and lysozyme susceptible spore fractions after such treatments was determined. The experimental data were modeled to obtain kinetic parameters and represented graphically by isoeffect lines. In contrast to findings for spores of other species and within the range of treatment parameters applied, zones of spore stabilization (lower inactivation than heat treatments alone, large heat susceptible (HPT-induced germinated or lysozyme-dependently germinable (damaged coat layer spore fractions were not detected. Inactivation followed 1st order kinetics. DPA release kinetics allowed for insights into possible inactivation mechanisms suggesting a (poorly effective physiologic-like (similar to nutrient-induced germination at ≤ 450 MPa/≤ 45 °C and non-physiological germination at >500 MPa/>60 – 70 °C.Results of this study support the existence of some commonalities in the HPT inactivation mechanism of C. botulinum type E spores and Bacillus spores although both organisms have significantly different HPT resistance properties. The information presented here contributes to closing the gap in knowledge regarding the HPT inactivation of spore formers relevant to food safety and may help industrial implementation of HPT processing. The markedly lower HPT resistance of C. botulinum type E spores than spores from other C. botulinum types, could allow for the implementation of milder processes without

  15. Eliminating high-order scattering effects in optical microbubble sizing.

    Science.gov (United States)

    Qiu, Huihe

    2003-04-01

    Measurements of bubble size and velocity in multiphase flows are important in much research and many industrial applications. It has been found that high-order refractions have great impact on microbubble sizing by use of phase-Doppler anemometry (PDA). The problem has been investigated, and a model of phase-size correlation, which also takes high-order refractions into consideration, is introduced to improve the accuracy of bubble sizing. Hence the model relaxes the assumption of a single-scattering mechanism in a conventional PDA system. The results of simulation based on this new model are compared with those based on a single-scattering-mechanism approach or a first-order approach. An optimization method for accurately sizing air bubbles in water has been suggested.

  16. International Conference on Spectral and High-Order Methods

    CERN Document Server

    Dumont, Ney; Hesthaven, Jan

    2017-01-01

    This book features a selection of high-quality papers chosen from the best presentations at the International Conference on Spectral and High-Order Methods (2016), offering an overview of the depth and breadth of the activities within this important research area. The carefully reviewed papers provide a snapshot of the state of the art, while the extensive bibliography helps initiate new research directions.

  17. A high order solver for the unbounded Poisson equation

    DEFF Research Database (Denmark)

    Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

    2012-01-01

    This work improves upon Hockney and Eastwood's Fourier-based algorithm for the unbounded Poisson equation to formally achieve arbitrary high order of convergence without any additional computational cost. We assess the methodology on the kinematic relations between the velocity and vorticity fields....

  18. factor high order fuzzy time series with applications to temperature

    African Journals Online (AJOL)

    HOD

    In this paper, a novel two – factor highorder fuzzy time series forecasting method based on .... to balance between local and global exploitations of the swarms. While, .... Although, there were a number of outliers but, the spread at the spot in ...

  19. Fast adsorption kinetics of highly dispersed ultrafine nickel/carbon nanoparticles for organic dye removal

    Science.gov (United States)

    Kim, Taek-Seung; Song, Hee Jo; Dar, Mushtaq Ahmad; Lee, Hack-Jun; Kim, Dong-Wan

    2018-05-01

    Magnetic metal/carbon nano-materials are attractive for pollutant adsorption and removal. In this study, ultrafine nickel/carbon nanoparticles are successfully prepared via electrical wire explosion processing in ethanol media for the elimination of pollutant organic dyes such as Rhodamine B and methylene blue in aqueous solutions. High specific surface areas originating from both the nano-sized particles and the existence of carbon on the surface of Ni nanoparticles enhance dye adsorption capacity. In addition to this, the excellent dispersity of Ni/C nanoparticles in aqueous dye solutions leads to superior adsorption rates. The adsorption kinetics for the removal of organic dyes by Ni/C nanoparticles agree with a pseudo-second-order model and follow Freundlich adsorption isotherm behavior.

  20. Tin (II Chloride Catalyzed Esterification of High FFA Jatropha Oil: Experimental and Kinetics Study

    Directory of Open Access Journals (Sweden)

    Ratna Dewi Kusumaningtyas

    2014-05-01

    Full Text Available Biodiesel is one of the promising energy source alternatives to fossil fuel. To produce biodiesel in a more economical way, the employment of the low-cost feed stocks, such as non-edible oils with high free fatty acid (FFA, is necessary. Accordingly, the esterification reaction of FFA in vegetable oils plays an important role in the biodiesel production. In this work, esterification of FFA contained in Crude Jatropha Oil (CJO in the presence of tin (II chloride catalyst in a batch reactor has been carried out. The esterification reaction was conducted using methanol at the temperature of 40-60 °C for 4 hours. The effect of molar ratio of methanol to oil was studied in the range 15:1 to 120:1. The influence of catalyst loading was investigated in the range of 2.5 to 15% w/w oil. The optimum reaction conversion was obtained at 60 °C with the catalyst loading of 10% w/w oil and molar ratio of methanol to oil of 120:1. A pseudo-homogeneous reversible second order kinetic model for describing the esterification of FFA contained in CJO with methanol over tin (II chloride catalyst was developed based on the experimental data. The kinetic model can fit the data very well.

  1. Decomposition kinetics of expanded austenite with high nitrogen contents

    DEFF Research Database (Denmark)

    Christiansen, Thomas; Somers, Marcel A. J.

    2006-01-01

    This paper addresses the decomposition kinetics of synthesized homogeneous expanded austenite formed by gaseous nitriding of stainless steel AISI 304L and AISI 316L with nitrogen contents up to 38 at.% nitrogen. Isochronal annealing experiments were carried out in both inert (N2) and reducing (H2......) atmospheres. Differential thermal analysis (DTA) and thermogravimetry were applied for identification of the decomposition reactions and X-ray diffraction analysis was applied for phase analysis. CrN precipitated upon annealing; the activation energies are 187 kJ/mol and 128 kJ/mol for AISI 316L and AISI 304L...

  2. Spectroscopy and Kinetics of Combustion Gases at High Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, Ronald [Stanford Univ., CA (United States); Bowman, Craig [Stanford Univ., CA (United States)

    2016-02-01

    This report describes our research program that involves two complementary activities: (1) development and application of cw laser absorption methods for the measurement of concentration time-histories and fundamental spectroscopic parameters for species of interest in combustion; and (2) shock tube studies of reaction kinetics relevant to combustion. This first part of this report covers research during the final three-year support period, i.e. March 2012 – November 2015. The later part of this report summarizes research conducted over multiple-year periods between March 1988 to March 2012. Publications supported by DOE for each period are summarized at the end of that report section.

  3. Kinetic modeling of ethane pyrolysis at high conversion.

    Science.gov (United States)

    Xu, Chen; Al Shoaibi, Ahmed Sultan; Wang, Chenguang; Carstensen, Hans-Heinrich; Dean, Anthony M

    2011-09-29

    The primary objective of this study is to develop an improved first-principle-based mechanism that describes the molecular weight growth kinetics observed during ethane pyrolysis. A proper characterization of the kinetics of ethane pyrolysis is a prerequisite for any analysis of hydrocarbon pyrolysis and oxidation. Flow reactor experiments were performed with ~50/50 ethane/nitrogen mixtures with temperatures ranging from 550 to 850 °C at an absolute pressure of ~0.8 atm and a residence time of ~5 s. These conditions result in ethane conversions ranging from virtually no reaction to ~90%. Comparisons of predictions using our original mechanism to these data yielded very satisfactory results in terms of the temperature dependence of ethane conversion and prediction of the major products ethylene and hydrogen. However, there were discrepancies in some of the minor species concentrations that are involved in the molecular weight growth kinetics. We performed a series of CBS-QB3 analyses for the C(3)H(7), C(4)H(7), and C(4)H(9) potential energy surfaces to better characterize the radical addition reactions that lead to molecular weight growth. We also extended a published C(6)H(9) PES to include addition of vinyl to butadiene. The results were then used to calculate pressure-dependent rate constants for the multiple reaction pathways of these addition reactions. Inclusion of the unadjusted rate constants resulting from these analyses in the mechanism significantly improved the description of several of the species involved in molecular weight growth kinetics. We compare the predictions of this improved model to those obtained with a consensus model recently published as well as to ethane steam cracking data. We find that a particularly important reaction is that of vinyl addition to butadiene. Another important observation is that several radical addition reactions are partially equilibrated. Not only does this mean that reliable thermodynamic parameters are essential

  4. Clinical evaluation of iterative reconstruction (ordered-subset expectation maximization) in dynamic positron emission tomography: quantitative effects on kinetic modeling with N-13 ammonia in healthy subjects

    DEFF Research Database (Denmark)

    Hove, Jens D; Rasmussen, Rune; Freiberg, Jacob

    2008-01-01

    BACKGROUND: The purpose of this study was to investigate the quantitative properties of ordered-subset expectation maximization (OSEM) on kinetic modeling with nitrogen 13 ammonia compared with filtered backprojection (FBP) in healthy subjects. METHODS AND RESULTS: Cardiac N-13 ammonia positron...... emission tomography (PET) studies from 20 normal volunteers at rest and during dipyridamole stimulation were analyzed. Image data were reconstructed with either FBP or OSEM. FBP- and OSEM-derived input functions and tissue curves were compared together with the myocardial blood flow and spillover values...... and OSEM flow values were observed with a flow underestimation of 45% (rest/dipyridamole) in the septum and of 5% (rest) and 15% (dipyridamole) in the lateral myocardial wall. CONCLUSIONS: OSEM reconstruction of myocardial perfusion images with N-13 ammonia and PET produces high-quality images for visual...

  5. Photon-Counting Microwave Kinetic Inductance Detectors (MKIDs) for High Resolution Far-Infrared Spectroscopy

    Data.gov (United States)

    National Aeronautics and Space Administration — We are developing ultrasensitive Microwave Kinetic Inductance Detectors (MKIDs) for high resolution far-infrared spectroscopy applications, with a long-term goal of...

  6. High-order perturbations of a spherical collapsing star

    International Nuclear Information System (INIS)

    Brizuela, David; Martin-Garcia, Jose M.; Sperhake, Ulrich; Kokkotas, Kostas D.

    2010-01-01

    A formalism to deal with high-order perturbations of a general spherical background was developed in earlier work [D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 74, 044039 (2006); D. Brizuela, J. M. Martin-Garcia, and G. A. Mena Marugan, Phys. Rev. D 76, 024004 (2007)]. In this paper, we apply it to the particular case of a perfect fluid background. We have expressed the perturbations of the energy-momentum tensor at any order in terms of the perturbed fluid's pressure, density, and velocity. In general, these expressions are not linear and have sources depending on lower-order perturbations. For the second-order case we make the explicit decomposition of these sources in tensor spherical harmonics. Then, a general procedure is given to evolve the perturbative equations of motions of the perfect fluid for any value of the harmonic label. Finally, with the problem of a spherical collapsing star in mind, we discuss the high-order perturbative matching conditions across a timelike surface, in particular, the surface separating the perfect fluid interior from the exterior vacuum.

  7. High-order-harmonic generation from H2+ molecular ions near plasmon-enhanced laser fields

    Science.gov (United States)

    Yavuz, I.; Tikman, Y.; Altun, Z.

    2015-08-01

    Simulations of plasmon-enhanced high-order-harmonic generation are performed for a H2+ molecular cation near the metallic nanostructures. We employ the numerical solution of the time-dependent Schrödinger equation in reduced coordinates. We assume that the main axis of H2+ is aligned perfectly with the polarization direction of the plasmon-enhanced field. We perform systematic calculations on plasmon-enhanced harmonic generation based on an infinite-mass approximation, i.e., pausing nuclear vibrations. Our simulations show that molecular high-order-harmonic generation from plasmon-enhanced laser fields is possible. We observe the dispersion of a plateau of harmonics when the laser field is plasmon enhanced. We find that the maximum kinetic energy of the returning electron follows 4 Up . We also find that when nuclear vibrations are enabled, the efficiency of the harmonics is greatly enhanced relative to that of static nuclei. However, the maximum kinetic energy 4 Up is largely maintained.

  8. Application of first order rate kinetics to explain changes in bloom toxicity—the importance of understanding cell toxin quotas

    Science.gov (United States)

    Orr, Philip T.; Willis, Anusuya; Burford, Michele A.

    2018-04-01

    Cyanobacteria are oxygenic photosynthetic Gram-negative bacteria that can form potentially toxic blooms in eutrophic and slow flowing aquatic ecosystems. Bloom toxicity varies spatially and temporally, but understanding the mechanisms that drive these changes remains largely a mystery. Changes in bloom toxicity may result from changes in intracellular toxin pool sizes of cyanotoxins with differing molecular toxicities, and/or from changes in the cell concentrations of toxic and non-toxic cyanobacterial species or strains within bloom populations. We show here how first-order rate kinetics at the cellular level can be used to explain how environmental conditions drive changes in bloom toxicity at the ecological level. First order rate constants can be calculated for changes in cell concentration (μ c: specific cell division rate) or the volumetric biomass concentration (μ g: specific growth rate) between short time intervals throughout the cell cycle. Similar first order rate constants can be calculated for changes in nett volumetric cyanotoxin concentration (μ tox: specific cyanotoxin production rate) over similar time intervals. How μ c (or μ g ) covaries with μ tox over the cell cycle shows conclusively when cyanotoxins are being produced and metabolised, and how the toxicity of cells change in response to environment stressors. When μ tox/μ c>1, cyanotoxin cell quotas increase and individual cells become more toxic because the nett cyanotoxin production rate is higher than the cell division rate. When μ tox/μ c=1, cell cyanotoxin quotas remains fixed because the nett cyanotoxin production rate matches the cell division rate. When μ tox/μ ccyanotoxin cell quota decreases because either the nett cyanotoxin production rate is lower than the cell division rate, or metabolic breakdown and/or secretion of cyanotoxins is occurring. These fundamental equations describe cyanotoxin metabolism dynamics at the cellular level and provide the necessary

  9. HOKF: High Order Kalman Filter for Epilepsy Forecasting Modeling.

    Science.gov (United States)

    Nguyen, Ngoc Anh Thi; Yang, Hyung-Jeong; Kim, Sunhee

    2017-08-01

    Epilepsy forecasting has been extensively studied using high-order time series obtained from scalp-recorded electroencephalography (EEG). An accurate seizure prediction system would not only help significantly improve patients' quality of life, but would also facilitate new therapeutic strategies to manage epilepsy. This paper thus proposes an improved Kalman Filter (KF) algorithm to mine seizure forecasts from neural activity by modeling three properties in the high-order EEG time series: noise, temporal smoothness, and tensor structure. The proposed High-Order Kalman Filter (HOKF) is an extension of the standard Kalman filter, for which higher-order modeling is limited. The efficient dynamic of HOKF system preserves the tensor structure of the observations and latent states. As such, the proposed method offers two main advantages: (i) effectiveness with HOKF results in hidden variables that capture major evolving trends suitable to predict neural activity, even in the presence of missing values; and (ii) scalability in that the wall clock time of the HOKF is linear with respect to the number of time-slices of the sequence. The HOKF algorithm is examined in terms of its effectiveness and scalability by conducting forecasting and scalability experiments with a real epilepsy EEG dataset. The results of the simulation demonstrate the superiority of the proposed method over the original Kalman Filter and other existing methods. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. On high-order perturbative calculations at finite density

    CERN Document Server

    Ghisoiu, Ioan; Kurkela, Aleksi; Romatschke, Paul; Säppi, Matias; Vuorinen, Aleksi

    2017-01-01

    We discuss the prospects of performing high-order perturbative calculations in systems characterized by a vanishing temperature but finite density. In particular, we show that the determination of generic Feynman integrals containing fermionic chemical potentials can be reduced to the evaluation of three-dimensional phase space integrals over vacuum on-shell amplitudes. Applications of these rules will be discussed in the context of the thermodynamics of cold and dense QCD, where it is argued that they facilitate an extension of the Equation of State of cold quark matter to higher perturbative orders.

  11. On high-order perturbative calculations at finite density

    Energy Technology Data Exchange (ETDEWEB)

    Ghişoiu, Ioan, E-mail: ioan.ghisoiu@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland); Gorda, Tyler, E-mail: tyler.gorda@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland); Department of Physics, University of Colorado Boulder, Boulder, CO (United States); Kurkela, Aleksi, E-mail: aleksi.kurkela@cern.ch [Theoretical Physics Department, CERN, Geneva (Switzerland); Faculty of Science and Technology, University of Stavanger, Stavanger (Norway); Romatschke, Paul, E-mail: paul.romatschke@colorado.edu [Department of Physics, University of Colorado Boulder, Boulder, CO (United States); Center for Theory of Quantum Matter, University of Colorado, Boulder, CO (United States); Säppi, Matias, E-mail: matias.sappi@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland); Vuorinen, Aleksi, E-mail: aleksi.vuorinen@helsinki.fi [Helsinki Institute of Physics and Department of Physics, University of Helsinki (Finland)

    2017-02-15

    We discuss the prospects of performing high-order perturbative calculations in systems characterized by a vanishing temperature but finite density. In particular, we show that the determination of generic Feynman integrals containing fermionic chemical potentials can be reduced to the evaluation of three-dimensional phase space integrals over vacuum on-shell amplitudes — a result reminiscent of a previously proposed “naive real-time formalism” for vacuum diagrams. Applications of these rules are discussed in the context of the thermodynamics of cold and dense QCD, where it is argued that they facilitate an extension of the Equation of State of cold quark matter to higher perturbative orders.

  12. Theoretical description of high-order harmonic generation in solids

    International Nuclear Information System (INIS)

    Kemper, A F; Moritz, B; Devereaux, T P; Freericks, J K

    2013-01-01

    We consider several aspects of high-order harmonic generation in solids: the effects of elastic and inelastic scattering, varying pulse characteristics and inclusion of material-specific parameters through a realistic band structure. We reproduce many observed characteristics of high harmonic generation experiments in solids including the formation of only odd harmonics in inversion-symmetric materials, and the nonlinear formation of high harmonics with increasing field. We find that the harmonic spectra are fairly robust against elastic and inelastic scattering. Furthermore, we find that the pulse characteristics can play an important role in determining the harmonic spectra. (paper)

  13. Electrochemical cell and electrode designs for high-temperature/high-pressure kinetic measurements

    International Nuclear Information System (INIS)

    Nagy, Z.; Yonco, R.M.

    1987-05-01

    Many corrosion processes of interest to the nuclear power industry occur in high-temperature/high-pressure aqueous systems. The investigation of the kinetics of the appropriate electrode reactions is a serious experimental challenge, partially because of the high temperatures and pressures and partially because many of these reactions are very rapid, requiring fast relaxation measurements. An electrochemical measuring system is described which is suitable for measurements of the kinetics of fast electrode reactions at temperatures extending to at least 300 0 C and pressures to at least 10 MPa (100 atmospheres). The system includes solution preparation and handling equipment, the electrochemical cell, and several electrode designs. One of the new designs is a coaxial working electrode-counter electrode assembly; this electrode can be used with very fast-rising pulses, and it provides a well defined, repeatedly-polishable working surface. Low-impedance reference electrodes are also described, based on electrode concepts responding to the pH or the redox potential of the test solution. Additionally, a novel, long-life primary reference electrode design is reported, based on a modification of the external, pressure-balanced Ag/AgCl reference electrode

  14. Electrochemical cell and electrode designs for high-temperature/high-pressure kinetic measurements

    International Nuclear Information System (INIS)

    Nagy, Z.; Yonco, R.M.

    1988-01-01

    Many corrosion processes of interest to the nuclear power industry occur in high-temperature/high-pressure aqueous systems. The investigation of the kinetics of the appropriate electrode reactions is a serious experimental challenge, partially because of the high temperatures and pressures and partially because many of these reactions are very rapid, requiring fast relaxation measurements. An electrochemical measuring system is described which is suitable for measurements of the kinetics of fast electrode reactions at temperatures extending to at least 300 0 C and pressures to at least 10 MPa (100 atmospheres). The system includes solution preparation and handling equipment, the electrochemical cell, and several electrode designs. One of the new designs is a coaxial working electrode-counter electrode assembly; this electrode can be used with very fast-rising pulses, and it provides a well defined, repeatedly-polishable working surface. Low-impedance reference electrodes are also described, based on electrode concepts responding to the pH or the redox potential of the test solution. Additionally, a novel, long-life primary reference electrode design is reported, based on a modification of the external, pressure-balanced Ag/AgCl reference electrode

  15. Very high order lattice perturbation theory for Wilson loops

    International Nuclear Information System (INIS)

    Horsley, R.

    2010-10-01

    We calculate perturbativeWilson loops of various sizes up to loop order n=20 at different lattice sizes for pure plaquette and tree-level improved Symanzik gauge theories using the technique of Numerical Stochastic Perturbation Theory. This allows us to investigate the behavior of the perturbative series at high orders. We observe differences in the behavior of perturbative coefficients as a function of the loop order. Up to n=20 we do not see evidence for the often assumed factorial growth of the coefficients. Based on the observed behavior we sum this series in a model with hypergeometric functions. Alternatively we estimate the series in boosted perturbation theory. Subtracting the estimated perturbative series for the average plaquette from the non-perturbative Monte Carlo result we estimate the gluon condensate. (orig.)

  16. Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Eric [Texas A & M Univ., College Station, TX (United States); Krejci, Michael [Texas A & M Univ., College Station, TX (United States); Mathieu, Olivier [Texas A & M Univ., College Station, TX (United States); Vissotski, Andrew [Texas A & M Univ., College Station, TX (United States); Ravi, Sankat [Texas A & M Univ., College Station, TX (United States); Plichta, Drew [Texas A & M Univ., College Station, TX (United States); Sikes, Travis [Texas A & M Univ., College Station, TX (United States); Levacque, Anthony [Texas A & M Univ., College Station, TX (United States); Camou, Alejandro [Texas A & M Univ., College Station, TX (United States); Aul, Christopher [Texas A & M Univ., College Station, TX (United States)

    2014-01-24

    This final report documents the technical results of the 3-year project entitled, “Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels,” funded under the NETL of DOE. The research was conducted under six main tasks: 1) program management and planning; 2) turbulent flame speed measurements of syngas mixtures; 3) laminar flame speed measurements with diluents; 4) NOx mechanism validation experiments; 5) fundamental NOx kinetics; and 6) the effect of impurities on NOx kinetics. Experiments were performed using primary constant-volume vessels for laminar and turbulent flame speeds and shock tubes for ignition delay times and species concentrations. In addition to the existing shock- tube and flame speed facilities, a new capability in measuring turbulent flame speeds was developed under this grant. Other highlights include an improved NOx kinetics mechanism; a database on syngas blends for real fuel mixtures with and without impurities; an improved hydrogen sulfide mechanism; an improved ammonia kintics mechanism; laminar flame speed data at high pressures with water addition; and the development of an inexpensive absorption spectroscopy diagnostic for shock-tube measurements of OH time histories. The Project Results for this work can be divided into 13 major sections, which form the basis of this report. These 13 topics are divided into the five areas: 1) laminar flame speeds; 2) Nitrogen Oxide and Ammonia chemical kinetics; 3) syngas impurities chemical kinetics; 4) turbulent flame speeds; and 5) OH absorption measurements for chemical kinetics.

  17. High-Order Modulation for Optical Fiber Transmission

    CERN Document Server

    Seimetz, Matthias

    2009-01-01

    Catering to the current interest in increasing the spectral efficiency of optical fiber networks by the deployment of high-order modulation formats, this monograph describes transmitters, receivers and performance of optical systems with high-order phase and quadrature amplitude modulation. In the first part of the book, the author discusses various transmitter implementation options as well as several receiver concepts based on direct and coherent detection, including designs of new structures. Hereby, both optical and electrical parts are considered, allowing the assessment of practicability and complexity. In the second part, a detailed characterization of optical fiber transmission systems is presented, regarding a wide range of modulation formats. It provides insight in the fundamental behavior of different formats with respect to relevant performance degradation effects and identifies the major trends in system performance.

  18. High-order harmonic generation in laser plasma plumes

    CERN Document Server

    Ganeev, Rashid A

    2013-01-01

    This book represents the first comprehensive treatment of high-order harmonic generation in laser-produced plumes, covering the principles, past and present experimental status and important applications. It shows how this method of frequency conversion of laser radiation towards the extreme ultraviolet range matured over the course of multiple studies and demonstrated new approaches in the generation of strong coherent short-wavelength radiation for various applications. Significant discoveries and pioneering contributions of researchers in this field carried out in various laser scientific centers worldwide are included in this first attempt to describe the important findings in this area of nonlinear spectroscopy. "High-Order Harmonic Generation in Laser Plasma Plumes" is a self-contained and unified review of the most recent achievements in the field, such as the application of clusters (fullerenes, nanoparticles, nanotubes) for efficient harmonic generation of ultrashort laser pulses in cluster-containin...

  19. Optimal explicit strong stability preserving Runge–Kutta methods with high linear order and optimal nonlinear order

    KAUST Repository

    Gottlieb, Sigal; Grant, Zachary; Higgs, Daniel

    2015-01-01

    High order spatial discretizations with monotonicity properties are often desirable for the solution of hyperbolic PDEs. These methods can advantageously be coupled with high order strong stability preserving time discretizations. The search

  20. Discrete nonlinear Schrodinger equations with arbitrarily high-order nonlinearities

    DEFF Research Database (Denmark)

    Khare, A.; Rasmussen, Kim Ø; Salerno, M.

    2006-01-01

    -Ladik equation. As a common property, these equations possess three kinds of exact analytical stationary solutions for which the Peierls-Nabarro barrier is zero. Several properties of these solutions, including stability, discrete breathers, and moving solutions, are investigated.......A class of discrete nonlinear Schrodinger equations with arbitrarily high-order nonlinearities is introduced. These equations are derived from the same Hamiltonian using different Poisson brackets and include as particular cases the saturable discrete nonlinear Schrodinger equation and the Ablowitz...

  1. High order modes in Project-X linac

    Energy Technology Data Exchange (ETDEWEB)

    Sukhanov, A., E-mail: ais@fnal.gov; Lunin, A.; Yakovlev, V.; Awida, M.; Champion, M.; Ginsburg, C.; Gonin, I.; Grimm, C.; Khabiboulline, T.; Nicol, T.; Orlov, Yu.; Saini, A.; Sergatskov, D.; Solyak, N.; Vostrikov, A.

    2014-01-11

    Project-X, a multi-MW proton source, is now under development at Fermilab. In this paper we present study of high order modes (HOM) excited in continues-wave (CW) superconducting linac of Project-X. We investigate effects of cryogenic losses caused by HOMs and influence of HOMs on beam dynamics. We find that these effects are small. We conclude that HOM couplers/dampers are not needed in the Project-X SC RF cavities.

  2. Conditional High-Order Boltzmann Machines for Supervised Relation Learning.

    Science.gov (United States)

    Huang, Yan; Wang, Wei; Wang, Liang; Tan, Tieniu

    2017-09-01

    Relation learning is a fundamental problem in many vision tasks. Recently, high-order Boltzmann machine and its variants have shown their great potentials in learning various types of data relation in a range of tasks. But most of these models are learned in an unsupervised way, i.e., without using relation class labels, which are not very discriminative for some challenging tasks, e.g., face verification. In this paper, with the goal to perform supervised relation learning, we introduce relation class labels into conventional high-order multiplicative interactions with pairwise input samples, and propose a conditional high-order Boltzmann Machine (CHBM), which can learn to classify the data relation in a binary classification way. To be able to deal with more complex data relation, we develop two improved variants of CHBM: 1) latent CHBM, which jointly performs relation feature learning and classification, by using a set of latent variables to block the pathway from pairwise input samples to output relation labels and 2) gated CHBM, which untangles factors of variation in data relation, by exploiting a set of latent variables to multiplicatively gate the classification of CHBM. To reduce the large number of model parameters generated by the multiplicative interactions, we approximately factorize high-order parameter tensors into multiple matrices. Then, we develop efficient supervised learning algorithms, by first pretraining the models using joint likelihood to provide good parameter initialization, and then finetuning them using conditional likelihood to enhance the discriminant ability. We apply the proposed models to a series of tasks including invariant recognition, face verification, and action similarity labeling. Experimental results demonstrate that by exploiting supervised relation labels, our models can greatly improve the performance.

  3. Locomotor muscle fatigue does not alter oxygen uptake kinetics during high-intensity exercise

    Directory of Open Access Journals (Sweden)

    James Hopker

    2016-10-01

    Full Text Available The slow component (VO2sc that develops during high-intensity aerobic exercise is thought to be strongly associated with locomotor muscle fatigue. We sought to experimentally test this hypothesis by pre-fatiguing the locomotor muscles used during subsequent high-intensity cycling exercise. Over two separate visits, eight healthy male participants were asked to either perform a non-metabolically stressful 100 intermittent drop-jumps protocol (pre fatigue condition or rest for 33 minutes (control condition according to a random and counterbalanced order. Locomotor muscle fatigue was quantified with 6-second maximal sprints at a fixed pedaling cadence of 90 rev·min-1. Oxygen kinetics and other responses (heart rate, capillary blood lactate concentration and rating of perceived exertion, RPE were measured during two subsequent bouts of 6 min cycling exercise at 50% of the delta between the lactate threshold and VO2max determined during a preliminary incremental exercise test. All tests were performed on the same cycle ergometer. Despite significant locomotor muscle fatigue (P = 0.03, the VO2sc was not significantly different between the pre fatigue (464 ± 301 mL·min-1 and the control (556 ± 223 mL·min-1 condition (P = 0.50. Blood lactate response was not significantly different between conditions (P = 0.48 but RPE was significantly higher following the pre-fatiguing exercise protocol compared with the control condition (P < 0.01 suggesting higher muscle recruitment. These results demonstrate experimentally that locomotor muscle fatigue does not significantly alter the VO2 kinetic response to high intensity aerobic exercise, and challenge the hypothesis that the VO2sc is strongly associated with locomotor muscle fatigue.

  4. Locomotor Muscle Fatigue Does Not Alter Oxygen Uptake Kinetics during High-Intensity Exercise.

    Science.gov (United States)

    Hopker, James G; Caporaso, Giuseppe; Azzalin, Andrea; Carpenter, Roger; Marcora, Samuele M

    2016-01-01

    The [Formula: see text] slow component ([Formula: see text]) that develops during high-intensity aerobic exercise is thought to be strongly associated with locomotor muscle fatigue. We sought to experimentally test this hypothesis by pre-fatiguing the locomotor muscles used during subsequent high-intensity cycling exercise. Over two separate visits, eight healthy male participants were asked to either perform a non-metabolically stressful 100 intermittent drop-jumps protocol (pre-fatigue condition) or rest for 33 min (control condition) according to a random and counterbalanced order. Locomotor muscle fatigue was quantified with 6-s maximal sprints at a fixed pedaling cadence of 90 rev·min -1 . Oxygen kinetics and other responses (heart rate, capillary blood lactate concentration and rating of perceived exertion, RPE) were measured during two subsequent bouts of 6 min cycling exercise at 50% of the delta between the lactate threshold and [Formula: see text] determined during a preliminary incremental exercise test. All tests were performed on the same cycle ergometer. Despite significant locomotor muscle fatigue ( P = 0.03), the [Formula: see text] was not significantly different between the pre-fatigue (464 ± 301 mL·min -1 ) and the control (556 ± 223 mL·min -1 ) condition ( P = 0.50). Blood lactate response was not significantly different between conditions ( P = 0.48) but RPE was significantly higher following the pre-fatiguing exercise protocol compared with the control condition ( P locomotor muscle fatigue does not significantly alter the [Formula: see text] kinetic response to high intensity aerobic exercise, and challenge the hypothesis that the [Formula: see text] is strongly associated with locomotor muscle fatigue.

  5. Assessment of Ex-Vitro Anaerobic Digestion Kinetics of Crop Residues Through First Order Exponential Models: Effect of LAG Phase Period and Curve Factor

    Directory of Open Access Journals (Sweden)

    Abdul Razaque Sahito

    2013-04-01

    Full Text Available Kinetic studies of AD (Anaerobic Digestion process are useful to predict the performance of digesters and design appropriate digesters and also helpful in understanding inhibitory mechanisms of biodegradation. The aim of this study was to assess the anaerobic kinetics of crop residues digestion with buffalo dung. Seven crop residues namely, bagasse, banana plant waste, canola straw, cotton stalks, rice straw, sugarcane trash and wheat straw were selected from the field and were analyzed on MC (Moisture Contents, TS (Total Solids and VS (Volatile Solids with standard methods. In present study, three first order exponential models namely exponential model, exponential lag phase model and exponential curve factor model were used to assess the kinetics of the AD process of crop residues and the effect of lag phase and curve factor was analyzed based on statistical hypothesis testing and on information theory. Assessment of kinetics of the AD of crop residues and buffalo dung follows the first order kinetics. Out of the three models, the simple exponential model was the poorest model, while the first order exponential curve factor model is the best fit model. In addition to statistical hypothesis testing, the exponential curve factor model has least value of AIC (Akaike's Information Criterion and can generate methane production data more accurately. Furthermore, there is an inverse linear relationship between the lag phase period and the curve factor.

  6. Assessment of ex-vitro anaerobic digestion kinetics of crop residues through first order exponential models: effect of lag phase period and curve factor

    International Nuclear Information System (INIS)

    Sahito, A.R.; Brohi, K.M.

    2013-01-01

    Kinetic studies of AD (Anaerobic Digestion) process are useful to predict the performance of digesters and design appropriate digesters and also helpful in understanding inhibitory mechanisms of biodegradation. The aim of this study was to assess the anaerobic kinetics of crop residues digestion with buffalo dung. Seven crop residues namely, bagasse, banana plant waste, canola straw, cotton stalks, rice straw, sugarcane trash and wheat straw were selected from the field and were analyzed on MC (Moisture Contents), TS (Total Solids) and VS (Volatile Solids) with standard methods. In present study, three first order exponential models namely exponential model, exponential lag phase model and exponential curve factor model were used to assess the kinetics of the AD process of crop residues and the effect of lag phase and curve factor was analyzed based on statistical hypothesis testing and on information theory. Assessment of kinetics of the AD of crop residues and buffalo dung follows the first order kinetics. Out of the three models, the simple exponential model was the poorest model, while the first order exponential curve factor model is the best fit model. In addition to statistical hypothesis testing, the exponential curve factor model has least value of AIC (Akaike's Information Criterion) and can generate methane production data more accurately. Furthermore, there is an inverse linear relationship between the lag phase period and the curve factor. (author)

  7. High order spectral difference lattice Boltzmann method for incompressible hydrodynamics

    Science.gov (United States)

    Li, Weidong

    2017-09-01

    This work presents a lattice Boltzmann equation (LBE) based high order spectral difference method for incompressible flows. In the present method, the spectral difference (SD) method is adopted to discretize the convection and collision term of the LBE to obtain high order (≥3) accuracy. Because the SD scheme represents the solution as cell local polynomials and the solution polynomials have good tensor-product property, the present spectral difference lattice Boltzmann method (SD-LBM) can be implemented on arbitrary unstructured quadrilateral meshes for effective and efficient treatment of complex geometries. Thanks to only first oder PDEs involved in the LBE, no special techniques, such as hybridizable discontinuous Galerkin method (HDG), local discontinuous Galerkin method (LDG) and so on, are needed to discrete diffusion term, and thus, it simplifies the algorithm and implementation of the high order spectral difference method for simulating viscous flows. The proposed SD-LBM is validated with four incompressible flow benchmarks in two-dimensions: (a) the Poiseuille flow driven by a constant body force; (b) the lid-driven cavity flow without singularity at the two top corners-Burggraf flow; and (c) the unsteady Taylor-Green vortex flow; (d) the Blasius boundary-layer flow past a flat plate. Computational results are compared with analytical solutions of these cases and convergence studies of these cases are also given. The designed accuracy of the proposed SD-LBM is clearly verified.

  8. Flow-Based Systems for Rapid and High-Precision Enzyme Kinetics Studies

    Directory of Open Access Journals (Sweden)

    Supaporn Kradtap Hartwell

    2012-01-01

    Full Text Available Enzyme kinetics studies normally focus on the initial rate of enzymatic reaction. However, the manual operation of steps of the conventional enzyme kinetics method has some drawbacks. Errors can result from the imprecise time control and time necessary for manual changing the reaction cuvettes into and out of the detector. By using the automatic flow-based analytical systems, enzyme kinetics studies can be carried out at real-time initial rate avoiding the potential errors inherent in manual operation. Flow-based systems have been developed to provide rapid, low-volume, and high-precision analyses that effectively replace the many tedious and high volume requirements of conventional wet chemistry analyses. This article presents various arrangements of flow-based techniques and their potential use in future enzyme kinetics applications.

  9. High-order harmonic conversion efficiency in helium

    International Nuclear Information System (INIS)

    Crane, J.K.

    1992-01-01

    Calculated results are presented for the energy, number of photons, and conversion efficiency for high-order harmonic generation in helium. The results show the maximum values that we should expect to achieve experimentally with our current apparatus and the important parameters for scaling this source to higher output. In the desired operating regime where the coherence length, given by L coh =πb/(q-1), is greater than the gas column length, l, the harmonic output can be summarized by a single equation: N q =[(π z n z b 3 τ q |d q | z )/4h]{(p/q)(2l/b) z }. N q - numbers of photons of q-th harmonic; n - atom density; b - laser confocal parameter; τ q - pulse width of harmonic radiation; q - harmonic order; p - effective order of nonlinearity. (Note the term in brackets, the phase-matching function, has been separated from the rest of the expression in order to be consistent with the relevant literature)

  10. Design of a high-pressure single pulse shock tube for chemical kinetic investigations

    International Nuclear Information System (INIS)

    Tranter, R. S.; Brezinsky, K.; Fulle, D.

    2001-01-01

    A single pulse shock tube has been designed and constructed in order to achieve extremely high pressures and temperatures to facilitate gas-phase chemical kinetic experiments. Postshock pressures of greater than 1000 atmospheres have been obtained. Temperatures greater than 1400 K have been achieved and, in principle, temperatures greater than 2000 K are easily attainable. These high temperatures and pressures permit the investigation of hydrocarbon species pyrolysis and oxidation reactions. Since these reactions occur on the time scale of 0.5--2 ms the shock tube has been constructed with an adjustable length driven section that permits variation of reaction viewing times. For any given reaction viewing time, samples can be withdrawn through a specially constructed automated sampling apparatus for subsequent species analysis with gas chromatography and mass spectrometry. The details of the design and construction that have permitted the successful generation of very high-pressure shocks in this unique apparatus are described. Additional information is provided concerning the diaphragms used in the high-pressure shock tube

  11. Wilson loops in very high order lattice perturbation theory

    International Nuclear Information System (INIS)

    Ilgenfritz, E.M.; Nakamura, Y.; Perlt, H.; Schiller, A.; Rakow, P.E.L.; Schierholz, G.; Regensburg Univ.

    2009-10-01

    We calculate Wilson loops of various sizes up to loop order n=20 for lattice sizes of L 4 (L=4,6,8,12) using the technique of Numerical Stochastic Perturbation Theory in quenched QCD. This allows to investigate the behaviour of the perturbative series at high orders. We discuss three models to estimate the perturbative series: a renormalon inspired fit, a heuristic fit based on an assumed power-law singularity and boosted perturbation theory. We have found differences in the behavior of the perturbative series for smaller and larger Wilson loops at moderate n. A factorial growth of the coefficients could not be confirmed up to n=20. From Monte Carlo measured plaquette data and our perturbative result we estimate a value of the gluon condensate left angle (α)/(π)GG right angle. (orig.)

  12. A high-order SPH method by introducing inverse kernels

    Directory of Open Access Journals (Sweden)

    Le Fang

    2017-02-01

    Full Text Available The smoothed particle hydrodynamics (SPH method is usually expected to be an efficient numerical tool for calculating the fluid-structure interactions in compressors; however, an endogenetic restriction is the problem of low-order consistency. A high-order SPH method by introducing inverse kernels, which is quite easy to be implemented but efficient, is proposed for solving this restriction. The basic inverse method and the special treatment near boundary are introduced with also the discussion of the combination of the Least-Square (LS and Moving-Least-Square (MLS methods. Then detailed analysis in spectral space is presented for people to better understand this method. Finally we show three test examples to verify the method behavior.

  13. High-order harmonics generation from overdense plasmas

    International Nuclear Information System (INIS)

    Quere, F.; Thaury, C.; Monot, P.; Martin, Ph.; Geindre, J.P.; Audebert, P.; Marjoribanks, R.

    2006-01-01

    Complete test of publication follows. When an intense laser beam reflects on an overdense plasma generated on a solid target, high-order harmonics of the incident laser frequency are observed in the reflected beam. This process provides a way to produce XUV femtosecond and attosecond pulses in the μJ range from ultrafast ultraintense lasers. Studying the mechanisms responsible for this harmonic emission is also of strong fundamental interest: just as HHG in gases has been instrumental in providing a comprehensive understanding of basic intense laser-atom interactions, HHG from solid-density plasmas is likely to become a unique tool to investigate many key features of laser-plasma interactions at high intensities. We will present both experimental and theoretical evidence that two mechanisms contribute to this harmonic emission: - Coherent Wake Emission: in this process, harmonics are emitted by plasma oscillations in te overdense plasma, triggered in the wake of jets of Brunel electrons generated by the laser field. - The relativistic oscillating mirror: in this process, the intense laser field drives a relativistic oscillation of the plasma surface, which in turn gives rise to a periodic phase modulation of the reflected beam, and hence to the generation of harmonics of the incident frequency. Left graph: experimental harmonic spectrum from a polypropylene target, obtained with 60 fs laser pulses at 10 19 W/cm 2 , with a very high temporal contrast (10 10 ). The plasma frequency of this target corresponds to harmonics 15-16, thus excluding the CWE mechanism for the generation of harmonics of higher orders. Images on the right: harmonic spectra from orders 13 et 18, for different distances z between the target and the best focus. At the highest intensity (z=0), harmonics emitted by the ROM mechanism are observed above the 15th order. These harmonics have a much smaller spectral width then those due to CWE (below the 15th order). These ROM harmonics vanish as soon

  14. Hybrid overlay metrology for high order correction by using CDSEM

    Science.gov (United States)

    Leray, Philippe; Halder, Sandip; Lorusso, Gian; Baudemprez, Bart; Inoue, Osamu; Okagawa, Yutaka

    2016-03-01

    Overlay control has become one of the most critical issues for semiconductor manufacturing. Advanced lithographic scanners use high-order corrections or correction per exposure to reduce the residual overlay. It is not enough in traditional feedback of overlay measurement by using ADI wafer because overlay error depends on other process (etching process and film stress, etc.). It needs high accuracy overlay measurement by using AEI wafer. WIS (Wafer Induced Shift) is the main issue for optical overlay, IBO (Image Based Overlay) and DBO (Diffraction Based Overlay). We design dedicated SEM overlay targets for dual damascene process of N10 by i-ArF multi-patterning. The pattern is same as device-pattern locally. Optical overlay tools select segmented pattern to reduce the WIS. However segmentation has limit, especially the via-pattern, for keeping the sensitivity and accuracy. We evaluate difference between the viapattern and relaxed pitch gratings which are similar to optical overlay target at AEI. CDSEM can estimate asymmetry property of target from image of pattern edge. CDSEM can estimate asymmetry property of target from image of pattern edge. We will compare full map of SEM overlay to full map of optical overlay for high order correction ( correctables and residual fingerprints).

  15. High-order space charge effects using automatic differentiation

    International Nuclear Information System (INIS)

    Reusch, Michael F.; Bruhwiler, David L.

    1997-01-01

    The Northrop Grumman Topkark code has been upgraded to Fortran 90, making use of operator overloading, so the same code can be used to either track an array of particles or construct a Taylor map representation of the accelerator lattice. We review beam optics and beam dynamics simulations conducted with TOPKARK in the past and we present a new method for modeling space charge forces to high-order with automatic differentiation. This method generates an accurate, high-order, 6-D Taylor map of the phase space variable trajectories for a bunched, high-current beam. The spatial distribution is modeled as the product of a Taylor Series times a Gaussian. The variables in the argument of the Gaussian are normalized to the respective second moments of the distribution. This form allows for accurate representation of a wide range of realistic distributions, including any asymmetries, and allows for rapid calculation of the space charge fields with free space boundary conditions. An example problem is presented to illustrate our approach

  16. High-order space charge effects using automatic differentiation

    International Nuclear Information System (INIS)

    Reusch, M.F.; Bruhwiler, D.L.; Computer Accelerator Physics Conference Williamsburg, Virginia 1996)

    1997-01-01

    The Northrop Grumman Topkark code has been upgraded to Fortran 90, making use of operator overloading, so the same code can be used to either track an array of particles or construct a Taylor map representation of the accelerator lattice. We review beam optics and beam dynamics simulations conducted with TOPKARK in the past and we present a new method for modeling space charge forces to high-order with automatic differentiation. This method generates an accurate, high-order, 6-D Taylor map of the phase space variable trajectories for a bunched, high-current beam. The spatial distribution is modeled as the product of a Taylor Series times a Gaussian. The variables in the argument of the Gaussian are normalized to the respective second moments of the distribution. This form allows for accurate representation of a wide range of realistic distributions, including any asymmetries, and allows for rapid calculation of the space charge fields with free space boundary conditions. An example problem is presented to illustrate our approach. copyright 1997 American Institute of Physics

  17. Gas phase chemical kinetics at high temperature of carbonaceous molecules: application to circumstellar envelopes

    Science.gov (United States)

    Biennier, L.; Gardez, A.; Saidani, G.; Georges, R.; Rowe, B.; Reddy, K. P. J.

    2011-05-01

    Circumstellar shells of evolved stars are a theater of extremely rich physical and chemical processes. More than seventy molecules of varied nature have been identified in the envelopes through their spectral fingerprints in the microwave or far infrared regions. Many of them are carbon chain molecules and radicals and a significant number are unique to the circumstellar medium. However, observational data remain scarce and more than half of the detected species have been observed in only one object, the nearby carbon star IRC + 10216. Chemical kinetic models are needed to describe the formation of molecules in evolved circumstellar outflows. Upcoming terrestrial telescopes such as ALMA will increase the spatial resolution by several orders of magnitude and provide a wealth of data. The determination of relevant laboratory kinetics data is critical to keep up with the development of the observations and of the refinement of chemical models. Today, the majority of reactions studied in the laboratory are the ones involved in combustion and concerning light hydrocarbons. Our objective is to provide the scientific community with rate coefficients of reactions between abundant species in these warm environments. Cyanopolyynes from HC_2N to HC_9N have all been detected in carbon rich circumstellar envelopes in up to 10 sources for HC_3N. Neutral-neutral reactions of the CN radical with unsaturated hydrocarbons could be a dominant route in the formation of cyanopolyynes, even at low temperatures. Our approach aims to bridge the temperature gap between resistively heated flow tubes and shock tubes. The present kinetic measurements are obtained using a new reactor combining a high enthalpy source (Moudens et al. 2011) with a flow tube and a pulsed laser photolysis and laser induced fluorescence system to probe the undergoing chemical reactions. The high enthalpy flow tube has been used to measure the rate constant of the reaction of the CN radical with propane, propene

  18. Nitrogen Removal in a Horizontal Subsurface Flow Constructed Wetland Estimated Using the First-Order Kinetic Model

    Directory of Open Access Journals (Sweden)

    Lijuan Cui

    2016-11-01

    Full Text Available We monitored the water quality and hydrological conditions of a horizontal subsurface constructed wetland (HSSF-CW in Beijing, China, for two years. We simulated the area-based constant and the temperature coefficient with the first-order kinetic model. We examined the relationships between the nitrogen (N removal rate, N load, seasonal variations in the N removal rate, and environmental factors—such as the area-based constant, temperature, and dissolved oxygen (DO. The effluent ammonia (NH4+-N and nitrate (NO3−-N concentrations were significantly lower than the influent concentrations (p < 0.01, n = 38. The NO3−-N load was significantly correlated with the removal rate (R2 = 0.96, p < 0.01, but the NH4+-N load was not correlated with the removal rate (R2 = 0.02, p > 0.01. The area-based constants of NO3−-N and NH4+-N at 20 °C were 27 ± 26 (mean ± SD and 14 ± 10 m∙year−1, respectively. The temperature coefficients for NO3−-N and NH4+-N were estimated at 1.004 and 0.960, respectively. The area-based constants for NO3−-N and NH4+-N were not correlated with temperature (p > 0.01. The NO3−-N area-based constant was correlated with the corresponding load (R2 = 0.96, p < 0.01. The NH4+-N area rate was correlated with DO (R2 = 0.69, p < 0.01, suggesting that the factors that influenced the N removal rate in this wetland met Liebig’s law of the minimum.

  19. High-order harmonic generation in a capillary discharge

    Science.gov (United States)

    Rocca, Jorge J.; Kapteyn, Henry C.; Mumane, Margaret M.; Gaudiosi, David; Grisham, Michael E.; Popmintchev, Tenio V.; Reagan, Brendan A.

    2010-06-01

    A pre-ionized medium created by a capillary discharge results in more efficient use of laser energy in high-order harmonic generation (HHG) from ions. It extends the cutoff photon energy, and reduces the distortion of the laser pulse as it propagates down the waveguide. The observed enhancements result from a combination of reduced ionization energy loss and reduced ionization-induced defocusing of the driving laser as well as waveguiding of the driving laser pulse. The discharge plasma also provides a means to spectrally tune the harmonics by tailoring the initial level of ionization of the medium.

  20. Stability of the high-order finite elements for acoustic or elastic wave propagation with high-order time stepping

    KAUST Repository

    De Basabe, Jonás D.

    2010-04-01

    We investigate the stability of some high-order finite element methods, namely the spectral element method and the interior-penalty discontinuous Galerkin method (IP-DGM), for acoustic or elastic wave propagation that have become increasingly popular in the recent past. We consider the Lax-Wendroff method (LWM) for time stepping and show that it allows for a larger time step than the classical leap-frog finite difference method, with higher-order accuracy. In particular the fourth-order LWM allows for a time step 73 per cent larger than that of the leap-frog method; the computational cost is approximately double per time step, but the larger time step partially compensates for this additional cost. Necessary, but not sufficient, stability conditions are given for the mentioned methods for orders up to 10 in space and time. The stability conditions for IP-DGM are approximately 20 and 60 per cent more restrictive than those for SEM in the acoustic and elastic cases, respectively. © 2010 The Authors Journal compilation © 2010 RAS.

  1. High order effects in cross section sensitivity analysis

    International Nuclear Information System (INIS)

    Greenspan, E.; Karni, Y.; Gilai, D.

    1978-01-01

    Two types of high order effects associated with perturbations in the flux shape are considered: Spectral Fine Structure Effects (SFSE) and non-linearity between changes in performance parameters and data uncertainties. SFSE are investigated in Part I using a simple single resonance model. Results obtained for each of the resolved and for representative unresolved resonances of 238 U in a ZPR-6/7 like environment indicate that SFSE can have a significant contribution to the sensitivity of group constants to resonance parameters. Methods to account for SFSE both for the propagation of uncertainties and for the adjustment of nuclear data are discussed. A Second Order Sensitivity Theory (SOST) is presented, and its accuracy relative to that of the first order sensitivity theory and of the direct substitution method is investigated in Part II. The investigation is done for the non-linear problem of the effect of changes in the 297 keV sodium minimum cross section on the transport of neutrons in a deep-penetration problem. It is found that the SOST provides a satisfactory accuracy for cross section uncertainty analysis. For the same degree of accuracy, the SOST can be significantly more efficient than the direct substitution method

  2. Design and high order optimization of the ATF2 lattices

    CERN Document Server

    Marin, E; Woodley, M; Kubo, K; Okugi, T; Tauchi, T; Urakawa, J; Tomas, R

    2013-01-01

    The next generation of future linear colliders (LC) demands nano-meter beam sizes at the interaction point (IP) in order to reach the required luminosity. The final focus system (FFS) of a LC is meant to deliver such small beam sizes. The Accelerator Test Facility (ATF) aims to test the feasibility of the new local chromaticity correction scheme which the future LCs are based on. To this end the ATF2 nominal and ultra-low beta* lattices are design to vertically focus the beam at the IP to 37nm and 23nm, respectively if error-free lattices are considered. However simulations show that the measured field errors of the ATF2 magnets preclude to reach the mentioned spot sizes. This paper describes the optimization of high order aberrations of the ATF2 lattices in order to minimize the detrimental effect of the measured multipole components for both ATF2 lattices. Specifically three solutions are studied, the replacement of the last focusing quadrupole (QF1FF), insertion of octupole magnets and optics modification....

  3. Substrate removal kinetics in high-rate upflow anaerobic filters packed with low-density polyethylene media treating high-strength agro-food wastewaters.

    Science.gov (United States)

    Rajagopal, Rajinikanth; Torrijos, Michel; Kumar, Pradeep; Mehrotra, Indu

    2013-02-15

    The process kinetics for two upflow anaerobic filters (UAFs) treating high strength fruit canning and cheese-dairy wastewaters as feed were investigated. The experimental unit consisted of a 10-L (effective volume) reactor filled with low-density polyethylene media. COD removal efficiencies of about 80% were recorded at the maximum OLRs of 19 and 17 g COD L(-1) d(-1) for the fruit canning and cheese-dairy wastewaters, respectively. Modified Stover-Kincannon and second-order kinetic models were applied to data obtained from the experimental studies in order to determine the substrate removal kinetics. According to Stover-Kincannon model, U(max) and K(B) values were estimated as 109.9 and 109.7 g L(-1) d(-1) for fruit canning, and 53.5 and 49.7 g L(-1) d(-1) for cheese dairy wastewaters, respectively. The second order substrate removal rate k(2(s)) was found to be 5.0 and 1.93 d(-1) respectively for fruit canning and cheese dairy wastewaters. As both these models gave high correlation coefficients (R(2) = 98-99%), they could be used in predicting the behaviour or design of the UAF. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Optimal explicit strong stability preserving Runge–Kutta methods with high linear order and optimal nonlinear order

    KAUST Repository

    Gottlieb, Sigal

    2015-04-10

    High order spatial discretizations with monotonicity properties are often desirable for the solution of hyperbolic PDEs. These methods can advantageously be coupled with high order strong stability preserving time discretizations. The search for high order strong stability time-stepping methods with large allowable strong stability coefficient has been an active area of research over the last two decades. This research has shown that explicit SSP Runge-Kutta methods exist only up to fourth order. However, if we restrict ourselves to solving only linear autonomous problems, the order conditions simplify and this order barrier is lifted: explicit SSP Runge-Kutta methods of any linear order exist. These methods reduce to second order when applied to nonlinear problems. In the current work we aim to find explicit SSP Runge-Kutta methods with large allowable time-step, that feature high linear order and simultaneously have the optimal fourth order nonlinear order. These methods have strong stability coefficients that approach those of the linear methods as the number of stages and the linear order is increased. This work shows that when a high linear order method is desired, it may still be worthwhile to use methods with higher nonlinear order.

  5. High-order quantum algorithm for solving linear differential equations

    International Nuclear Information System (INIS)

    Berry, Dominic W

    2014-01-01

    Linear differential equations are ubiquitous in science and engineering. Quantum computers can simulate quantum systems, which are described by a restricted type of linear differential equations. Here we extend quantum simulation algorithms to general inhomogeneous sparse linear differential equations, which describe many classical physical systems. We examine the use of high-order methods (where the error over a time step is a high power of the size of the time step) to improve the efficiency. These provide scaling close to Δt 2 in the evolution time Δt. As with other algorithms of this type, the solution is encoded in amplitudes of the quantum state, and it is possible to extract global features of the solution. (paper)

  6. Benchmarking with high-order nodal diffusion methods

    International Nuclear Information System (INIS)

    Tomasevic, D.; Larsen, E.W.

    1993-01-01

    Significant progress in the solution of multidimensional neutron diffusion problems was made in the late 1970s with the introduction of nodal methods. Modern nodal reactor analysis codes provide significant improvements in both accuracy and computing speed over earlier codes based on fine-mesh finite difference methods. In the past, the performance of advanced nodal methods was determined by comparisons with fine-mesh finite difference codes. More recently, the excellent spatial convergence of nodal methods has permitted their use in establishing reference solutions for some important bench-mark problems. The recent development of the self-consistent high-order nodal diffusion method and its subsequent variational formulation has permitted the calculation of reference solutions with one node per assembly mesh size. In this paper, we compare results for four selected benchmark problems to those obtained by high-order response matrix methods and by two well-known state-of-the-art nodal methods (the open-quotes analyticalclose quotes and open-quotes nodal expansionclose quotes methods)

  7. A High-Order CFS Algorithm for Clustering Big Data

    Directory of Open Access Journals (Sweden)

    Fanyu Bu

    2016-01-01

    Full Text Available With the development of Internet of Everything such as Internet of Things, Internet of People, and Industrial Internet, big data is being generated. Clustering is a widely used technique for big data analytics and mining. However, most of current algorithms are not effective to cluster heterogeneous data which is prevalent in big data. In this paper, we propose a high-order CFS algorithm (HOCFS to cluster heterogeneous data by combining the CFS clustering algorithm and the dropout deep learning model, whose functionality rests on three pillars: (i an adaptive dropout deep learning model to learn features from each type of data, (ii a feature tensor model to capture the correlations of heterogeneous data, and (iii a tensor distance-based high-order CFS algorithm to cluster heterogeneous data. Furthermore, we verify our proposed algorithm on different datasets, by comparison with other two clustering schemes, that is, HOPCM and CFS. Results confirm the effectiveness of the proposed algorithm in clustering heterogeneous data.

  8. Kinetic studies of co-pyrolysis of rubber seed shell with high density polyethylene

    International Nuclear Information System (INIS)

    Chin, Bridgid Lai Fui; Yusup, Suzana; Al Shoaibi, Ahmed; Kannan, Pravin; Srinivasakannan, Chandrasekar; Sulaiman, Shaharin Anwar

    2014-01-01

    Highlights: • Co-pyrolysis of biomass and plastic waste in thermogravimetric analyzer. • Investigation of thermal degradation behavior in different feedstocks. • Synergistic effect of the biomass and plastic waste mixture is investigated. • Kinetic parameters using one step integral method are determined. - Abstract: This paper investigates the thermal degradation behavior of rubber seed shell (RSS), high density polyethylene (HDPE), and the HDPE/RSS mixtures (0.2:0.8 weight ratio) using thermogravimetric analyzer under non-isothermal condition in argon atmosphere at flowrate of 100 ml min −1 . Cellulose, hemicellulose, and lignin are also analyzed in this study for comparison of pyrolysis behavior with RSS. The experiments were conducted at different heating rates of 10, 20, 30, and 50 K min −1 in the temperature range of 323–1173 K. The kinetic data is generated based on first order rate of reaction. It is observed that the thermal degradation behavior of the main components in biomass such as hemicellulose, cellulose, and lignin differs during pyrolysis process due to the structural differences that leads to distinctive pathways of degradation of feedstock. It is found that there are one, two, and three stages of decomposition occurring in HDPE, RSS, and HDPE/RSS mixtures respectively during the pyrolysis process. The remaining solid residue increases with an increase in heating rate regardless of the type of samples used. The activation energies (E A ) for RSS, HDPE, HDPE/RSS mixtures are 46.94–63.21, 242.13–278.14, and 49.14–83.11 kJ mol −1 respectively for the range of heating rate studied

  9. New method for calculations of nanostructure kinetic stability at high temperature

    Science.gov (United States)

    Fedorov, A. S.; Kuzubov, A. A.; Visotin, M. A.; Tomilin, F. N.

    2017-10-01

    A new universal method is developed for determination of nanostructure kinetic stability (KS) at high temperatures, when nanostructures can be destroyed by chemical bonds breaking due to atom thermal vibrations. The method is based on calculation of probability for any bond in the structure to stretch more than a limit value Lmax, when the bond breaks. Assuming the number of vibrations is very large and all of them are independent, using the central limit theorem, an expression for the probability of a given bond elongation up to Lmax is derived in order to determine the KS. It is shown that this expression leads to the effective Arrhenius formula, but unlike the standard transition state theory it allows one to find the contributions of different vibrations to a chemical bond cleavage. To determine the KS, only calculation of frequencies and eigenvectors of vibrational modes in the groundstate of the nanostructure is needed, while the transition states need not be found. The suggested method was tested on calculating KS of bonds in some alkanes, octene isomers and narrow graphene nanoribbons of different types and widths at the temperature T=1200 K. The probability of breaking of the C-C bond in the center of these hydrocarbons is found to be significantly higher than at the ends of the molecules. It is also shown that the KS of the octene isomers decreases when the double C˭C bond is moved to the end of the molecule, which agrees well with the experimental data. The KS of the narrowest graphene nanoribbons of different types varies by 1-2 orders of magnitude depending on the width and structure, while all of them are by several orders of magnitude less stable at high temperature than the hydrocarbons and benzene.

  10. Effects of thermal treatment on high solid anaerobic digestion of swine manure: Enhancement assessment and kinetic analysis.

    Science.gov (United States)

    Wu, Jing; Hu, Yu-Ying; Wang, Shi-Feng; Cao, Zhi-Ping; Li, Huai-Zhi; Fu, Xin-Mei; Wang, Kai-Jun; Zuo, Jian-E

    2017-04-01

    Anaerobic digestion (AD), which is a process for generating biogas, can be applied to the treatment of organic wastes. Owing to its smaller footprint, lower energy consumption, and less digestate, high solid anaerobic digestion (HSAD) has attracted increasing attention. However, its biogas production is poor. In order to improve biogas production and decrease energy consumption, an improved thermal treatment process was proposed. Raw swine manure (>20% solid content) without any dilution was thermally treated at 70±1°C for different retention times, and then its effect on HSAD was investigated via batch AD experiments at 8.9% solid content. Results showed that the main organic components of swine manure hydrolyzed significantly during the thermal treatment, and HSAD's methane production rate was improved by up to 39.5%. Analysis using two kinetic models confirmed that the treatment could increase biodegradable organics (especially the readily biodegradable organics) in swine manure rather than upgrading its hydrolysis rate. It is worth noting that the superimposed first-order kinetics model was firstly applied in AD, and was a good tool to reveal the AD kinetics mechanism of substrates with complex components. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Dynamic modification of the fragmentation of COq+ excited states generated with high-order harmonics

    International Nuclear Information System (INIS)

    Cao, W.; De, S.; Singh, K. P.; Chen, S.; Laurent, G.; Ray, D.; Ben-Itzhak, I.; Cocke, C. L.; Schoeffler, M. S.; Belkacem, A.; Osipov, T.; Rescigno, T.; Alnaser, A. S.; Bocharova, I. A.; Zherebtsov, S.; Kling, M. F.; Litvinyuk, I. V.

    2010-01-01

    The dynamic process of fragmentation of CO q+ excited states is investigated using a pump-probe approach. EUV radiation (32-48 eV) generated by high-order harmonics was used to ionize and excite CO molecules and a time-delayed infrared (IR) pulse (800 nm) was used to influence the evolution of the dissociating multichannel wave packet. Two groups of states, separable experimentally by their kinetic-energy release (KER), are populated by the EUV and lead to C + -O + fragmentation: direct double ionization of the neutral molecule and fragmentation of the cation leading to C + -O*, followed by autoionization of O*. The IR pulse was found to modify the KER of the latter group in a delay-dependent way which is explained with a model calculation.

  12. Global Monte Carlo Simulation with High Order Polynomial Expansions

    International Nuclear Information System (INIS)

    William R. Martin; James Paul Holloway; Kaushik Banerjee; Jesse Cheatham; Jeremy Conlin

    2007-01-01

    The functional expansion technique (FET) was recently developed for Monte Carlo simulation. The basic idea of the FET is to expand a Monte Carlo tally in terms of a high order expansion, the coefficients of which can be estimated via the usual random walk process in a conventional Monte Carlo code. If the expansion basis is chosen carefully, the lowest order coefficient is simply the conventional histogram tally, corresponding to a flat mode. This research project studied the applicability of using the FET to estimate the fission source, from which fission sites can be sampled for the next generation. The idea is that individual fission sites contribute to expansion modes that may span the geometry being considered, possibly increasing the communication across a loosely coupled system and thereby improving convergence over the conventional fission bank approach used in most production Monte Carlo codes. The project examined a number of basis functions, including global Legendre polynomials as well as 'local' piecewise polynomials such as finite element hat functions and higher order versions. The global FET showed an improvement in convergence over the conventional fission bank approach. The local FET methods showed some advantages versus global polynomials in handling geometries with discontinuous material properties. The conventional finite element hat functions had the disadvantage that the expansion coefficients could not be estimated directly but had to be obtained by solving a linear system whose matrix elements were estimated. An alternative fission matrix-based response matrix algorithm was formulated. Studies were made of two alternative applications of the FET, one based on the kernel density estimator and one based on Arnoldi's method of minimized iterations. Preliminary results for both methods indicate improvements in fission source convergence. These developments indicate that the FET has promise for speeding up Monte Carlo fission source convergence

  13. Recursive regularization step for high-order lattice Boltzmann methods

    Science.gov (United States)

    Coreixas, Christophe; Wissocq, Gauthier; Puigt, Guillaume; Boussuge, Jean-François; Sagaut, Pierre

    2017-09-01

    A lattice Boltzmann method (LBM) with enhanced stability and accuracy is presented for various Hermite tensor-based lattice structures. The collision operator relies on a regularization step, which is here improved through a recursive computation of nonequilibrium Hermite polynomial coefficients. In addition to the reduced computational cost of this procedure with respect to the standard one, the recursive step allows to considerably enhance the stability and accuracy of the numerical scheme by properly filtering out second- (and higher-) order nonhydrodynamic contributions in under-resolved conditions. This is first shown in the isothermal case where the simulation of the doubly periodic shear layer is performed with a Reynolds number ranging from 104 to 106, and where a thorough analysis of the case at Re=3 ×104 is conducted. In the latter, results obtained using both regularization steps are compared against the Bhatnagar-Gross-Krook LBM for standard (D2Q9) and high-order (D2V17 and D2V37) lattice structures, confirming the tremendous increase of stability range of the proposed approach. Further comparisons on thermal and fully compressible flows, using the general extension of this procedure, are then conducted through the numerical simulation of Sod shock tubes with the D2V37 lattice. They confirm the stability increase induced by the recursive approach as compared with the standard one.

  14. RCS Leak Rate Calculation with High Order Least Squares Method

    International Nuclear Information System (INIS)

    Lee, Jeong Hun; Kang, Young Kyu; Kim, Yang Ki

    2010-01-01

    As a part of action items for Application of Leak before Break(LBB), RCS Leak Rate Calculation Program is upgraded in Kori unit 3 and 4. For real time monitoring of operators, periodic calculation is needed and corresponding noise reduction scheme is used. This kind of study was issued in Korea, so there have upgraded and used real time RCS Leak Rate Calculation Program in UCN unit 3 and 4 and YGN unit 1 and 2. For reduction of the noise in signals, Linear Regression Method was used in those programs. Linear Regression Method is powerful method for noise reduction. But the system is not static with some alternative flow paths and this makes mixed trend patterns of input signal values. In this condition, the trend of signal and average of Linear Regression are not entirely same pattern. In this study, high order Least squares Method is used to follow the trend of signal and the order of calculation is rearranged. The result of calculation makes reasonable trend and the procedure is physically consistence

  15. Reversible Second Order Kinetics of Sorption-Desorption of Cr(VI Ion on Activated Carbon from Palm Empty Fruit Bunches

    Directory of Open Access Journals (Sweden)

    Iip Izul Falah

    2015-11-01

    Full Text Available Activated carbon (AC from palm empty fruit bunches has been prepared, and this material was then used to adsorb Cr(VI from a solution. Characterization of the AC was conducted by detection of its functional groups, determination of total volatile compounds (VC content and its iodine number. Study on sorption-desorption kinetics was conducted by comparing results of evaluations of several models with proposed reversible second order model using the data produced in this work. Results of the works showed that the AC had similar characters compared with the AC produced by previous researchers. Application of the kinetics models on sorption Cr(VI onto the AC showed that nearly all of the models gave a good linearity. However, only the proposed model had a good relation with Langmuir isotherm, with respectively sorption (ks and desorption (kd constants were 5.75 x 10-4 L.mg‑1.min-1 and 2.20 x 10-3 min-1; maximum sorption capacity, qm = 20.00 mg.g-1; and equilibrium constant, K from kinetics experiment (0.261 L.mg-1 was comparable with the result from the isotherm experiment (0.269 L.mg-1. Hence, using this model, kinetics and Langmuir parameters can probably be determined from a single kinetics data experiment.

  16. High-Order Sparse Linear Predictors for Audio Processing

    DEFF Research Database (Denmark)

    Giacobello, Daniele; van Waterschoot, Toon; Christensen, Mads Græsbøll

    2010-01-01

    Linear prediction has generally failed to make a breakthrough in audio processing, as it has done in speech processing. This is mostly due to its poor modeling performance, since an audio signal is usually an ensemble of different sources. Nevertheless, linear prediction comes with a whole set...... of interesting features that make the idea of using it in audio processing not far fetched, e.g., the strong ability of modeling the spectral peaks that play a dominant role in perception. In this paper, we provide some preliminary conjectures and experiments on the use of high-order sparse linear predictors...... in audio processing. These predictors, successfully implemented in modeling the short-term and long-term redundancies present in speech signals, will be used to model tonal audio signals, both monophonic and polyphonic. We will show how the sparse predictors are able to model efficiently the different...

  17. High-order hydrodynamic algorithms for exascale computing

    Energy Technology Data Exchange (ETDEWEB)

    Morgan, Nathaniel Ray [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-02-05

    Hydrodynamic algorithms are at the core of many laboratory missions ranging from simulating ICF implosions to climate modeling. The hydrodynamic algorithms commonly employed at the laboratory and in industry (1) typically lack requisite accuracy for complex multi- material vortical flows and (2) are not well suited for exascale computing due to poor data locality and poor FLOP/memory ratios. Exascale computing requires advances in both computer science and numerical algorithms. We propose to research the second requirement and create a new high-order hydrodynamic algorithm that has superior accuracy, excellent data locality, and excellent FLOP/memory ratios. This proposal will impact a broad range of research areas including numerical theory, discrete mathematics, vorticity evolution, gas dynamics, interface instability evolution, turbulent flows, fluid dynamics and shock driven flows. If successful, the proposed research has the potential to radically transform simulation capabilities and help position the laboratory for computing at the exascale.

  18. High-Order Wave Propagation Algorithms for Hyperbolic Systems

    KAUST Repository

    Ketcheson, David I.

    2013-01-22

    We present a finite volume method that is applicable to hyperbolic PDEs including spatially varying and semilinear nonconservative systems. The spatial discretization, like that of the well-known Clawpack software, is based on solving Riemann problems and calculating fluctuations (not fluxes). The implementation employs weighted essentially nonoscillatory reconstruction in space and strong stability preserving Runge--Kutta integration in time. The method can be extended to arbitrarily high order of accuracy and allows a well-balanced implementation for capturing solutions of balance laws near steady state. This well-balancing is achieved through the $f$-wave Riemann solver and a novel wave-slope WENO reconstruction procedure. The wide applicability and advantageous properties of the method are demonstrated through numerical examples, including problems in nonconservative form, problems with spatially varying fluxes, and problems involving near-equilibrium solutions of balance laws.

  19. High-order multiphoton ionization photoelectron spectroscopy of NO

    International Nuclear Information System (INIS)

    Carman, H.S. Jr.; Compton, R.N.

    1987-01-01

    Photoelectron energy angular distributions of NO following three different high-order multiphoton ionization (MPI) schemes have been measured. The 3 + 3 resonantly enhanced multiphoton ionization (REMPI) via the A 2 Σ + (v=O) level yielded a distribution of electron energies corresponding to all accessible vibrational levels (v + =O-6) of the nascent ion. Angular distributions of electrons corresponding to v + =O and v + =3 were significantly different. The 3 + 2 REMPI via the A 2 Σ + (v=1) level produced only one low-energy electron peak (v + =1). Nonresonant MPI at 532 nm yielded a distribution of electron energies corresponding to both four- and five-photon ionization. Prominent peaks in the five-photon photoelectron spectrum (PES) suggest contributions from near-resonant states at the three-photon level. 4 refs., 3 figs

  20. Field emission from the surface of highly ordered pyrolytic graphite

    Energy Technology Data Exchange (ETDEWEB)

    Knápek, Alexandr, E-mail: knapek@isibrno.cz [Institute of Scientific Instruments of the ASCR, v.v.i., Královopolská 147, Brno (Czech Republic); Sobola, Dinara; Tománek, Pavel [Department of Physics, FEEC, Brno University of Technology, Technická 8, Brno (Czech Republic); Pokorná, Zuzana; Urbánek, Michal [Institute of Scientific Instruments of the ASCR, v.v.i., Královopolská 147, Brno (Czech Republic)

    2017-02-15

    Highlights: • HOPG shreds were created and analyzed in the UHV conditions. • Current-voltage measurements have been done to confirm electron tunneling, based on the Fowler-Nordheim theory. • Surface was characterized by other surface evaluation methods, in particular by: SNOM, SEM and AFM. - Abstract: This paper deals with the electrical characterization of highly ordered pyrolytic graphite (HOPG) surface based on field emission of electrons. The effect of field emission occurs only at disrupted surface, i.e. surface containing ripped and warped shreds of the uppermost layers of graphite. These deformations provide the necessary field gradients which are required for measuring tunneling current caused by field electron emission. Results of the field emission measurements are correlated with other surface characterization methods such as scanning near-field optical microscopy (SNOM) or atomic force microscopy.

  1. Reduced order surrogate modelling (ROSM) of high dimensional deterministic simulations

    Science.gov (United States)

    Mitry, Mina

    Often, computationally expensive engineering simulations can prohibit the engineering design process. As a result, designers may turn to a less computationally demanding approximate, or surrogate, model to facilitate their design process. However, owing to the the curse of dimensionality, classical surrogate models become too computationally expensive for high dimensional data. To address this limitation of classical methods, we develop linear and non-linear Reduced Order Surrogate Modelling (ROSM) techniques. Two algorithms are presented, which are based on a combination of linear/kernel principal component analysis and radial basis functions. These algorithms are applied to subsonic and transonic aerodynamic data, as well as a model for a chemical spill in a channel. The results of this thesis show that ROSM can provide a significant computational benefit over classical surrogate modelling, sometimes at the expense of a minor loss in accuracy.

  2. Field emission from the surface of highly ordered pyrolytic graphite

    International Nuclear Information System (INIS)

    Knápek, Alexandr; Sobola, Dinara; Tománek, Pavel; Pokorná, Zuzana; Urbánek, Michal

    2017-01-01

    Highlights: • HOPG shreds were created and analyzed in the UHV conditions. • Current-voltage measurements have been done to confirm electron tunneling, based on the Fowler-Nordheim theory. • Surface was characterized by other surface evaluation methods, in particular by: SNOM, SEM and AFM. - Abstract: This paper deals with the electrical characterization of highly ordered pyrolytic graphite (HOPG) surface based on field emission of electrons. The effect of field emission occurs only at disrupted surface, i.e. surface containing ripped and warped shreds of the uppermost layers of graphite. These deformations provide the necessary field gradients which are required for measuring tunneling current caused by field electron emission. Results of the field emission measurements are correlated with other surface characterization methods such as scanning near-field optical microscopy (SNOM) or atomic force microscopy.

  3. High-order computer-assisted estimates of topological entropy

    Science.gov (United States)

    Grote, Johannes

    The concept of Taylor Models is introduced, which offers highly accurate C0-estimates for the enclosures of functional dependencies, combining high-order Taylor polynomial approximation of functions and rigorous estimates of the truncation error, performed using verified interval arithmetic. The focus of this work is on the application of Taylor Models in algorithms for strongly nonlinear dynamical systems. A method to obtain sharp rigorous enclosures of Poincare maps for certain types of flows and surfaces is developed and numerical examples are presented. Differential algebraic techniques allow the efficient and accurate computation of polynomial approximations for invariant curves of certain planar maps around hyperbolic fixed points. Subsequently we introduce a procedure to extend these polynomial curves to verified Taylor Model enclosures of local invariant manifolds with C0-errors of size 10-10--10 -14, and proceed to generate the global invariant manifold tangle up to comparable accuracy through iteration in Taylor Model arithmetic. Knowledge of the global manifold structure up to finite iterations of the local manifold pieces enables us to find all homoclinic and heteroclinic intersections in the generated manifold tangle. Combined with the mapping properties of the homoclinic points and their ordering we are able to construct a subshift of finite type as a topological factor of the original planar system to obtain rigorous lower bounds for its topological entropy. This construction is fully automatic and yields homoclinic tangles with several hundred homoclinic points. As an example rigorous lower bounds for the topological entropy of the Henon map are computed, which to the best knowledge of the authors yield the largest such estimates published so far.

  4. Investigations on the kinetics of the oxygen reduction in high temperature fuel cells

    International Nuclear Information System (INIS)

    Erning, J.W.

    1998-07-01

    Lanthan-Strontium-Manganite perowskites are the most widespread materials in use for solid oxide fuel cell cathodes. The electrode reaction taking place, i.e. the reduction of oxygen supplied by air, was investigated by electrochemical means to obtain further knowledge about the electrode processes. The high activation energy of this reaction (200 kJ/mol), preventing lower operation temperatures of the SOFC, was the starting point for the investigation. Quasi steady state current voltage measurements and impedance spectroscopy were performed in a three electrode configuration. The electrodes were of circular shape with a diameter of 10 mm. The preparation was made by screen printing as well as wet powder spraying onto plates made of Yttria-stabilized zirconia. Perowskite powders of varying chemical and stoichiometric composition were used. To obtain higher power densities and, more important, lower apparent activation energies, catalytic layers were added at the interface electrode/electrolyte. Additionally, a less complex system, a model electrode/electrolyte setup made from single-crystal YSZ as electrolyte and gold in liquid and solid state as electrode was developed to create a better defined system. This setup was used to investigate the behaviour of the electrode/electrolyte interface. Reliable, reproducible results could be obtained using either setup. The experimental conditions i.e. oxygen partial pressure, temperature and overpotential were varied in order to determine the kinetic properties of the electrodes. Apparent activation energies, pre-exponential factors, apparent charge-transfer coefficients and electrochemical orders of reaction were calculated from the current-voltage data in order to propose possible reaction steps. (orig.)

  5. Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant

    Science.gov (United States)

    Sergeev, A.; Alharbi, F. H.; Jovanovic, R.; Kais, S.

    2016-04-01

    The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke’s law model for two-electron atoms.

  6. Kinetics of high-temperature oxidation of (Ti,Ta)(C,N)-based cermets

    International Nuclear Information System (INIS)

    Chicardi, E.; Córdoba, J.M.; Gotor, F.J.

    2016-01-01

    Highlights: • The kinetic of high-temperature oxidation of (Ti,Ta)(C,N)-Co cermets was studied. • A parabolic oxidation kinetic was determined in cermets between 700 °C and 1200 °C. • This parabolic kinetic behaviour is due to the existence of a protective layer. • The protective layer formed was a complex Ti_xTa_1_−_xO_2 oxide with rutile structure. • The oxidation rate is controlled by the Ti and O_2 diffusion through the Ti_xTa_1_−_xO_2. - Abstract: The kinetics of the high-temperature oxidation of titanium–tantalum carbonitride-based cermets with different Ti/Ta ratios was studied. Isothermal oxidation tests were conducted under static air for 48 h at temperatures between 700 °C and 1200 °C. The oxidation satisfied the parabolic kinetics, characteristic of the existence of a protective oxide layer. The apparent activation energy suggests the rate-controlling process during oxidation is the simultaneous inward and outward diffusion of oxygen and titanium, respectively, through the formed protective layer, consisting mainly of a rutile phase. A higher Ta(V) content in the rutile decreased the oxygen diffusivity due to the reduction of oxygen vacancy concentration.

  7. High-temperature steam oxidation kinetics of the E110G cladding alloy

    International Nuclear Information System (INIS)

    Király, Márton; Kulacsy, Katalin; Hózer, Zoltán; Perez-Feró, Erzsébet; Novotny, Tamás

    2016-01-01

    In the course of recent years, several experiments were performed at MTA EK (Centre for Energy Research, Hungarian Academy of Sciences) on the isothermal high-temperature oxidation of the improved Russian cladding alloy E110G in steam/argon atmosphere. Using these data and designing additional supporting experiments, the oxidation kinetics of the E110G alloy was investigated in a wide temperature range, between 600 °C and 1200 °C. For short durations (below 500 s) or high temperatures (above 1065 °C) the oxidation kinetics was found to follow a square-root-of-time dependence, while for longer durations and in the intermediate temperature range (800–1000 °C) it was found to approach a cube-root-of-time dependence rather than a square-root one. Based on the results a new best-estimate and a conservative oxidation kinetics model were created. - Highlights: • Steam oxidation kinetics of E110G was studied at MTA EK based on old and new data. • New best-estimate and conservative steam oxidation kinetics were proposed for E110G. • The exponent of oxidation time changed depending on oxidation temperature. • A simple exponential curve was used instead of Arrhenius-type curve for the factor.

  8. Electrocatalytic oxidation of alcohols on single gold particles in highly ordered SiO2 cavities

    International Nuclear Information System (INIS)

    Li, Na; Zhou, Qun; Tian, Shu; Zhao, Hong; Li, Xiaowei; Adkins, Jason; Gu, Zhuomin; Zhao, Lili; Zheng, Junwei

    2013-01-01

    In the present work, we report a new and simple approach for preparing a highly ordered Au (1 1 1) nanoparticle (NP) array in SiO 2 cavities on indium-doped tin oxide (ITO) electrodes. We fabricated a SiO 2 cavity array on the surface of an ITO electrode using highly ordered self-assembly of polystyrene spheres as a template. Gold NPs were electrodeposited at the bottom of the SiO 2 cavities, and single gold NPs dominated with (1 1 1) facets were generated in each cavity by annealing the electrode at a high temperature. Such (1 1 1) facets were the predominate trait of the single gold particle which exhibited considerable electrocatalytic activity toward oxidation of methanol, ethanol, and glycerol. This has been attributed to the formation of incipient hydrous oxides at unusually low potential on the specific (1 1 1) facet of the gold particles. Moreover, each cavity of the SiO 2 possibly behaves as an independent electrochemical cell in which the methanol molecules are trapped; this produces an environment advantageous to catalyzing electrooxidation. The oxidation of methanol on the electrodes is a mixed control mechanism (both by diffusion and electrode kinetics). This strategy both provided an approach to study electrochemical reactions on a single particle in a microenvironment and may supply a way to construct alcohols sensors

  9. High-Order Dielectric Metasurfaces for High-Efficiency Polarization Beam Splitters and Optical Vortex Generators

    Science.gov (United States)

    Guo, Zhongyi; Zhu, Lie; Guo, Kai; Shen, Fei; Yin, Zhiping

    2017-08-01

    In this paper, a high-order dielectric metasurface based on silicon nanobrick array is proposed and investigated. By controlling the length and width of the nanobricks, the metasurfaces could supply two different incremental transmission phases for the X-linear-polarized (XLP) and Y-linear-polarized (YLP) light with extremely high efficiency over 88%. Based on the designed metasurface, two polarization beam splitters working in high-order diffraction modes have been designed successfully, which demonstrated a high transmitted efficiency. In addition, we have also designed two vortex-beam generators working in high-order diffraction modes to create vortex beams with the topological charges of 2 and 3. The employment of dielectric metasurfaces operating in high-order diffraction modes could pave the way for a variety of new ultra-efficient optical devices.

  10. ASPECTS OF KINETICS AUTOTHERMAL THERMOPHILIC AEROBIC DIGESTION OF SEWAGE SLUDGE - THE USE OF EQUATIONS OF VARIOUS ORDERS

    Directory of Open Access Journals (Sweden)

    Magdalena Filkiewicz

    2016-12-01

    Work to identify the kinetics of the process are aimed at, among others, creating a model describing the speed of the process, including obtaining an answer whether the above equations can be the basis for further work on identifying the factors influencing the stabilization process.

  11. The Kinetics of Joined Action of Triplet-Triplet Annihilation and First-Order Decay of Molecules in T1 State in the Case of Nondominant First-Order Process: The Kinetic Model in the Case of Spatially Periodic Excitation

    Directory of Open Access Journals (Sweden)

    Paweł Borowicz

    2013-01-01

    Full Text Available In this paper the model developed for estimation of the diffusion coefficient of the molecules in the triplet state is presented. The model is based on the intuitive modification of the Smoluchowski equation for the time-dependent rate parameter. Since the sample is irradiated with the spatially periodic pattern nonexponential effects can be expected in the areas of the constructive interference of the exciting laser beams. This nonexponential effects introduce changes in the observed kinetics of the diffusion-controlled triplet-triplet annihilation. Due to irradiation with so-called long excitation pulse these non-exponential effects are very weak, so they can be described with introducing very simple correction to the kinetic model described in the first paper of this series. The values of diffusion coefficient of anthracene are used to calculate the annihilation radius from the data for spatially homogeneous excitation.

  12. Neutron diffraction study of the formation kinetics of ordered antiphase domains in titanium carbohydride TiC{sub x}H{sub y}

    Energy Technology Data Exchange (ETDEWEB)

    Khidirov, I., E-mail: khidirov@inp.uz [Uzbekistan Academy of Sciences, Institute of Nuclear Physics (Uzbekistan)

    2015-09-15

    The kinetics of formation and growth of ordered antiphase domains (APDs) in titanium carbohydride TiC{sub 0.50}H{sub 0.21} has been investigated by neutron diffraction. A model of ordered APDs is proposed. It is established that the pronounced ordering of interstitial atoms and APDs begin at 450°C. It is shown that the period of ordered APDs (P ≈ 10–12) is independent of the exposure time at a constant temperature. It is found that the temperature of ordered APDs, T{sub OAPD}, increases nonlinearly with an increase in the carbon concentration in the range 0.50 ≤ C/Ti ≤ 0.70. The formation temperature of ordered APDs is found to correlate with the concentration dependence of the order–disorder transition temperature and be 0.60 of the order–disorder transition temperature: T{sub APD} = 0.60Τ{sub C}.

  13. Molybdenum Disilicide Oxidation Kinetics in High Temperature Steam

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Elizabeth Sooby [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Parker, Stephen Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Nelson, Andrew Thomas [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-09-07

    The Fuel Cycle Research and Development program’s Advanced Fuels Campaign is currently supporting a range of experimental efforts aimed at the development and qualification of ‘accident tolerant’ nuclear fuel forms. One route to enhance the accident tolerance of nuclear fuel is to replace the zirconium alloy cladding, which is prone to rapid oxidation in steam at elevated temperatures, with a more oxidation-resistant cladding. Several cladding replacement solutions have been envisaged. The cladding can be completely replaced with a more oxidation resistant alloy, a layered approach can be used to optimize the strength, creep resistance, and oxidation tolerance of various materials, or the existing zirconium alloy cladding can be coated with a more oxidation-resistant material. Molybdenum is one candidate cladding material favored due to its high temperature creep resistance. However, it performs poorly under autoclave testing and suffers degradation under high temperature steam oxidation exposure. Development of composite cladding architectures consisting of a molybdenum core shielded by a molybdenum disilicide (MoSi2) coating is hypothesized to improve the performance of a Mo-based cladding system. MoSi2 was identified based on its high temperature oxidation resistance in O2 atmospheres (e.g. air and “wet air”). However, its behavior in H2O is less known. This report presents thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and x-ray diffraction (XRD) results for MoSi2 exposed to 670-1498 K water vapor. Synthetic air (80-20%, Ar-O2) exposures were also performed, and those results are presented here for a comparative analysis. It was determined that MoSi2 displays drastically different oxidation behavior in water vapor than in dry air. In the 670-1498 K temperature range, four distinct behaviors are observed. Parabolic oxidation is exhibited in only 670

  14. Treatability and kinetics studies of mesophilic aerobic biodegradation of high oil and grease pet food wastewater

    International Nuclear Information System (INIS)

    Liu, Victor Lei; Nakhla, G.; Bassi, A.

    2004-01-01

    In this work, batch activated sludge studies were investigated for the treatment of raw pet food wastewater characterized by oil and grease concentrations of 50,000-66,000 mg/L, COD and BOD concentrations of 100,000 and 80,000 mg/L, respectively, as well as effluent from an existing anaerobic digester treating the aforementioned wastewater. A pre-treatment process, dissolved air flotation (DAF) achieved 97-99% reduction in O and G to about 400-800 mg/L, which is still atypically high for AS. The batch studies were conducted using a 4-L bioreactor at room temperature (21 deg. C) under different conditions. The experimental results showed for the DAF pretreated effluent, 92% COD removal efficiency can be achieved by using conventional activated sludge system at a 5 days contact time and applied initial soluble COD to biomass ratio of 1.17 mg COD/mg VSS. Similarly for the digester effluent at average oil and grease concentrations of 13,500 mg/L, activated sludge affected 63.7-76.2% soluble COD removal at 5 days. The results also showed that all kinetic data best conformed to the zero order biodegradation model with a low biomass specific maximum substrate utilization rate of 0.168 mg COD/mg VSS day reflecting the slow biodegradability of the wastewater even after 99% removal of oil and grease

  15. Phase development and kinetics of high temperature Bi-2223 phase

    International Nuclear Information System (INIS)

    Yavuz, M.; Maeda, H.; Hua, K.L.; Shi, X.D.

    1998-01-01

    The two-dimensional nucleation (random)-growth mechanism were observed as a support for the related previous works, which is attributable to the growth of the Bi-2223 grain in the a-b plane direction of the Bi-2212 matrix is being much faster than in the c-direction, or that the early-formed plate-like 2212 phase confines the 2223 product. At the beginning of the reaction, the additional phases are partially melted. Because of the structure, composition and thermal fluctuation, the 2223 nucleates and grows in the phase boundary between the liquid phase and Bi-2212. It was shown here that the nucleation and the growth rate were relatively fast between 0 and 36 h. At the final stage, between 36 and 60 h, because of the impingement of the growth fronts of different nuclei, the high formation rate of 2223 is suppressed. The major reactant 2212 remains as a solid and its plate-like configuration determines the two dimensional nature of the reaction. The amount of liquid forms during reaction is small. (orig.)

  16. Kinetic electron emission from highly oriented pyrolytic graphite surfaces induced by singly charged ions

    CERN Document Server

    Cernusca, S; Winter, H; Aumayr, F; Loerincik, J; Sroubek, Z

    2002-01-01

    We present total electron yields determined by current measurements for normal impact of H sup + , H sub 2 sup + , H sub 3 sup + , C sup + , N sup + and O sup + ions (E<=10 keV) on a clean highly oriented pyrolytic graphite surface. The kinetic energy of the projectiles has been varied from near threshold up to 10 keV. By comparing the results to similar data obtained for a polycrystalline Au surface the role of different target properties for kinetic electron emission can be analysed.

  17. Comparison Of A Neutron Kinetics Parameter For A Polyethylene Moderated Highly Enriched Uranium System

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie, IV, George Espy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Goda, Joetta Marie [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Grove, Travis Justin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sanchez, Rene Gerardo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-04-17

    This paper examines the comparison of MCNP® code’s capability to calculate kinetics parameters effectively for a thermal system containing highly enriched uranium (HEU). The Rossi-α parameter was chosen for this examination because it is relatively easy to measure as well as easy to calculate using MCNP®’s kopts card. The Rossi-α also incorporates many other parameters of interest in nuclear kinetics most of which are more difficult to precisely measure. The comparison looks at two different nuclear data libraries for comparison to the experimental data. These libraries are ENDF/BVI (.66c) and ENDF/BVII (.80c).

  18. Modeling the high pressure inactivation kinetics of Listeria monocytogenes on RTE cooked meat products

    DEFF Research Database (Denmark)

    Hereu, A.; Dalgaard, Paw; Garriga, M.

    2012-01-01

    High pressure (HP) inactivation curves of Listeria monocytogenes CTC1034 (ca. 107CFU/g) on sliced RTE cooked meat products (ham and mortadella) were obtained at pressures from 300 to 800MPa. A clear tail shape was observed at pressures above 450MPa and the log-linear with tail primary model...... provided the best fit to the HP-inactivation kinetics. The relationships between the primary kinetic parameters (log kmax and log Nres) and pressure treatments were described by a polynomial secondary model. To estimate HP-inactivation of L. monocytogenes in log (N/N0) over time, a one-step global fitting...

  19. An Experimental and Chemical Kinetics Study of the Combustion of Syngas and High Hydrogen Content Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Santoro, Robers [Pennsylvania State Univ., State College, PA (United States); Dryer, Frederick [Princeton Univ., NJ (United States); Ju, Yiguang [Princeton Univ., NJ (United States)

    2013-09-30

    An integrated and collaborative effort involving experiments and complementary chemical kinetic modeling investigated the effects of significant concentrations of water and CO2 and minor contaminant species (methane [CH4], ethane [C2H6], NOX, etc.) on the ignition and combustion of HHC fuels. The research effort specifically addressed broadening the experimental data base for ignition delay, burning rate, and oxidation kinetics at high pressures, and further refinement of chemical kinetic models so as to develop compositional specifications related to the above major and minor species. The foundation for the chemical kinetic modeling was the well validated mechanism for hydrogen and carbon monoxide developed over the last 25 years by Professor Frederick Dryer and his co-workers at Princeton University. This research furthered advance the understanding needed to develop practical guidelines for realistic composition limits and operating characteristics for HHC fuels. A suite of experiments was utilized that that involved a high-pressure laminar flow reactor, a pressure-release type high-pressure combustion chamber and a high-pressure turbulent flow reactor.

  20. Kinetic and thermodynamic analysis of ultra-high pressure and heat ...

    African Journals Online (AJOL)

    Purpose: To undertake comparative kinetic and thermodynamic analyses of the interaction of bovine serum albumin (BSA) with IgG pre-treated with ultra-high pressure (UHP) and moderate heat. Methods: BSA solutions were processed at 100 – 600 MPa and 25 – 40 °C. We applied an optical biosensor based on surface ...

  1. [Effect of IV hydration with sodium bicarbonate on high-dose methotrexate disposition kinetics].

    Science.gov (United States)

    Tsuda, N; Goto, M; Konishi, H; Yamashina, H

    1984-04-01

    Following two-compartment kinetic analysis, the effect of loading of transfusion with sodium bicarbonate on methotrexate disposition was investigated in 13 cases with malignant tumor, being treated with high-dose methotrexate. The mean values of total body clearance, when administered at doses 50 mg and 100 mg per kg body weight, were 0.369 and 0.402 (l/h) per kg, respectively. No significant relationship was observed between alpha value and total amount of transfusion, of urine or dosage of sodium bicarbonate. The other kinetic parameters on elimination, beta value, K10 and total body clearance, did not also correlate with those values described above. These results suggest that the elimination profile of methotrexate show linear kinetics, and that massive administration of transfusion with sodium bicarbonate be not necessary if pH value of urine exceeds 7.0.

  2. High-order adaptive secondary mirrors: where are we?

    Science.gov (United States)

    Salinari, Piero; Sandler, David G.

    1998-09-01

    We discuss the current developments and the perspective performances of adaptive secondary mirrors for high order adaptive a correction on large ground based telescopes. The development of the basic techniques involved a large collaborative effort of public research Institutes and of private companies is now essentially complete. The next crucial step will be the construction of an adaptive secondary mirror for the 6.5 m MMT. Problems such as the fabrication of very thin mirrors, the low cost implementation of fast position sensors, of efficient and compact electromagnetic actuators, of the control and communication electronics, of the actuator control system, of the thermal control and of the mechanical layout can be considered as solved, in some cases with more than one viable solution. To verify performances at system level two complete prototypes have been built and tested, one at ThermoTrex and the other at Arcetri. The two prototypes adopt the same basic approach concerning actuators, sensor and support of the thin mirror, but differ in a number of aspects such as the material of the rigid back plate used as reference for the thin mirror, the number and surface density of the actuators, the solution adopted for the removal of the heat, and the design of the electronics. We discuss how the results obtained by of the two prototypes and by numerical simulations will guide the design of full size adaptive secondary units.

  3. Analytical and experimental study of high phase order induction motors

    Science.gov (United States)

    Klingshirn, Eugene A.

    1989-01-01

    Induction motors having more than three phases were investigated to determine their suitability for electric vehicle applications. The objective was to have a motor with a current rating lower than that of a three-phase motor. The name chosen for these is high phase order (HPO) motors. Motors having six phases and nine phases were given the most attention. It was found that HPO motors are quite suitable for electric vehicles, and for many other applications as well. They have characteristics which are as good as or better than three-phase motors for practically all applications where polyphase induction motors are appropriate. Some of the analysis methods are presented, and several of the equivalent circuits which facilitate the determination of harmonic currents and losses, or currents with unbalanced sources, are included. The sometimes large stator currents due to harmonics in the source voltages are pointed out. Filters which can limit these currents were developed. An analysis and description of these filters is included. Experimental results which confirm and illustrate much of the theory are also included. These include locked rotor test results and full-load performance with an open phase. Also shown are oscillograms which display the reduction in harmonic currents when a filter is used with the experimental motor supplied by a non-sinusoidal source.

  4. Application of high-order uncertainty for severe accident management

    International Nuclear Information System (INIS)

    Yu, Donghan; Ha, Jaejoo

    1998-01-01

    The use of probability distribution to represent uncertainty about point-valued probabilities has been a controversial subject. Probability theorists have argued that it is inherently meaningless to be uncertain about a probability since this appears to violate the subjectivists' assumption that individual can develop unique and precise probability judgments. However, many others have found the concept of uncertainty about the probability to be both intuitively appealing and potentially useful. Especially, high-order uncertainty, i.e., the uncertainty about the probability, can be potentially relevant to decision-making when expert's judgment is needed under very uncertain data and imprecise knowledge and where the phenomena and events are frequently complicated and ill-defined. This paper presents two approaches for evaluating the uncertainties inherent in accident management strategies: 'a fuzzy probability' and 'an interval-valued subjective probability'. At first, this analysis considers accident management as a decision problem (i.e., 'applying a strategy' vs. 'do nothing') and uses an influence diagram. Then, the analysis applies two approaches above to evaluate imprecise node probabilities in the influence diagram. For the propagation of subjective probabilities, the analysis uses the Monte-Carlo simulation. In case of fuzzy probabilities, the fuzzy logic is applied to propagate them. We believe that these approaches can allow us to understand uncertainties associated with severe accident management strategy since they offer not only information similar to the classical approach using point-estimate values but also additional information regarding the impact from imprecise input data

  5. Delay induced high order locking effects in semiconductor lasers

    Science.gov (United States)

    Kelleher, B.; Wishon, M. J.; Locquet, A.; Goulding, D.; Tykalewicz, B.; Huyet, G.; Viktorov, E. A.

    2017-11-01

    Multiple time scales appear in many nonlinear dynamical systems. Semiconductor lasers, in particular, provide a fertile testing ground for multiple time scale dynamics. For solitary semiconductor lasers, the two fundamental time scales are the cavity repetition rate and the relaxation oscillation frequency which is a characteristic of the field-matter interaction in the cavity. Typically, these two time scales are of very different orders, and mutual resonances do not occur. Optical feedback endows the system with a third time scale: the external cavity repetition rate. This is typically much longer than the device cavity repetition rate and suggests the possibility of resonances with the relaxation oscillations. We show that for lasers with highly damped relaxation oscillations, such resonances can be obtained and lead to spontaneous mode-locking. Two different laser types-—a quantum dot based device and a quantum well based device—are analysed experimentally yielding qualitatively identical dynamics. A rate equation model is also employed showing an excellent agreement with the experimental results.

  6. High-Density Quantum Sensing with Dissipative First Order Transitions.

    Science.gov (United States)

    Raghunandan, Meghana; Wrachtrup, Jörg; Weimer, Hendrik

    2018-04-13

    The sensing of external fields using quantum systems is a prime example of an emergent quantum technology. Generically, the sensitivity of a quantum sensor consisting of N independent particles is proportional to sqrt[N]. However, interactions invariably occurring at high densities lead to a breakdown of the assumption of independence between the particles, posing a severe challenge for quantum sensors operating at the nanoscale. Here, we show that interactions in quantum sensors can be transformed from a nuisance into an advantage when strong interactions trigger a dissipative phase transition in an open quantum system. We demonstrate this behavior by analyzing dissipative quantum sensors based upon nitrogen-vacancy defect centers in diamond. Using both a variational method and a numerical simulation of the master equation describing the open quantum many-body system, we establish the existence of a dissipative first order transition that can be used for quantum sensing. We investigate the properties of this phase transition for two- and three-dimensional setups, demonstrating that the transition can be observed using current experimental technology. Finally, we show that quantum sensors based on dissipative phase transitions are particularly robust against imperfections such as disorder or decoherence, with the sensitivity of the sensor not being limited by the T_{2} coherence time of the device. Our results can readily be applied to other applications in quantum sensing and quantum metrology where interactions are currently a limiting factor.

  7. High-order above-threshold dissociation of molecules

    Science.gov (United States)

    Lu, Peifen; Wang, Junping; Li, Hui; Lin, Kang; Gong, Xiaochun; Song, Qiying; Ji, Qinying; Zhang, Wenbin; Ma, Junyang; Li, Hanxiao; Zeng, Heping; He, Feng; Wu, Jian

    2018-03-01

    Electrons bound to atoms or molecules can simultaneously absorb multiple photons via the above-threshold ionization featured with discrete peaks in the photoelectron spectrum on account of the quantized nature of the light energy. Analogously, the above-threshold dissociation of molecules has been proposed to address the multiple-photon energy deposition in the nuclei of molecules. In this case, nuclear energy spectra consisting of photon-energy spaced peaks exceeding the binding energy of the molecular bond are predicted. Although the observation of such phenomena is difficult, this scenario is nevertheless logical and is based on the fundamental laws. Here, we report conclusive experimental observation of high-order above-threshold dissociation of H2 in strong laser fields where the tunneling-ionized electron transfers the absorbed multiphoton energy, which is above the ionization threshold to the nuclei via the field-driven inelastic rescattering. Our results provide an unambiguous evidence that the electron and nuclei of a molecule as a whole absorb multiple photons, and thus above-threshold ionization and above-threshold dissociation must appear simultaneously, which is the cornerstone of the nowadays strong-field molecular physics.

  8. High-Density Quantum Sensing with Dissipative First Order Transitions

    Science.gov (United States)

    Raghunandan, Meghana; Wrachtrup, Jörg; Weimer, Hendrik

    2018-04-01

    The sensing of external fields using quantum systems is a prime example of an emergent quantum technology. Generically, the sensitivity of a quantum sensor consisting of N independent particles is proportional to √{N }. However, interactions invariably occurring at high densities lead to a breakdown of the assumption of independence between the particles, posing a severe challenge for quantum sensors operating at the nanoscale. Here, we show that interactions in quantum sensors can be transformed from a nuisance into an advantage when strong interactions trigger a dissipative phase transition in an open quantum system. We demonstrate this behavior by analyzing dissipative quantum sensors based upon nitrogen-vacancy defect centers in diamond. Using both a variational method and a numerical simulation of the master equation describing the open quantum many-body system, we establish the existence of a dissipative first order transition that can be used for quantum sensing. We investigate the properties of this phase transition for two- and three-dimensional setups, demonstrating that the transition can be observed using current experimental technology. Finally, we show that quantum sensors based on dissipative phase transitions are particularly robust against imperfections such as disorder or decoherence, with the sensitivity of the sensor not being limited by the T2 coherence time of the device. Our results can readily be applied to other applications in quantum sensing and quantum metrology where interactions are currently a limiting factor.

  9. Mode of conception of triplets and high order multiple pregnancies.

    LENUS (Irish Health Repository)

    Basit, I

    2012-03-01

    A retrospective audit was performed of all high order multiple pregnancies (HOMPs) delivered in three maternity hospitals in Dublin between 1999 and 2008. The mode of conception for each pregnancy was established with a view to determining means of reducing their incidence. A total of 101 HOMPs occurred, 93 triplet, 7 quadruplet and 1 quintuplet. Information regarding the mode of conception was available for 78 (81%) pregnancies. Twenty eight (27.7%) were spontaneous, 34 (33.7%) followedlVF\\/ICSI\\/FET treatment (in-vitro fertilisation, intracytoplasmic sperm injection, frozen embryo transfer), 16 (15.8%) resulted from Clomiphene Citrate treatment and 6 (6%) followed ovulation induction with gonadotrophins. Triplet and HOMPs are a major cause of maternal, feta land neonatal morbidity. Many are iatrogenic, arising from fertility treatments including Clomiphene. Reducing the numbers of embryos transferred will address IVF\\/ICSI\\/FET-related multiple pregnancy rates and this is currently happening in Ireland. Clomiphene and gonadotrophins should only be prescribed when appropriate resources are available to monitor patients adequately.

  10. High orders of perturbation theory. Are renormalons significant?

    International Nuclear Information System (INIS)

    Suslov, I.M.

    1999-01-01

    According to Lipatov [Sov. Phys. JETP 45, 216 (1977)], the high orders of perturbation theory are determined by saddle-point configurations, i.e., instantons, which correspond to functional integrals. According to another opinion, the contributions of individual large diagrams, i.e., renormalons, which, according to t'Hooft [The Whys of Subnuclear Physics: Proceedings of the 1977 International School of Subnuclear Physics (Erice, Trapani, Sicily, 1977), A. Zichichi (Ed.), Plenum Press, New York (1979)], are not contained in the Lipatov contribution, are also significant. The history of the conception of renormalons is presented, and the arguments in favor of and against their existence are discussed. The analytic properties of the Borel transforms of functional integrals, Green's functions, vertex parts, and scaling functions are investigated in the case of φ 4 theory. Their analyticity in a complex plane with a cut from the first instanton singularity to infinity (the Le Guillou-Zinn-Justin hypothesis [Phys. Rev. Lett. 39, 95 (1977); Phys. Rev. B 21, 3976 (1980)] is proved. It rules out the existence of the renormalon singularities pointed out by t'Hooft and demonstrates the nonconstructiveness of the conception of renormalons as a whole. The results can be interpreted as an indication of the internal consistency of φ 4 theory

  11. High-brightness high-order harmonic generation at 13 nm with a long gas jet

    International Nuclear Information System (INIS)

    Kim, Hyung Taek; Kim, I Jong; Lee, Dong Gun; Park, Jong Ju; Hong, Kyung Han; Nam, Chang Hee

    2002-01-01

    The generation of high-order harmonics is well-known method producing coherent extreme-ultraviolet radiation with pulse duration in the femtosecond regime. High-order harmonics have attracted much attention due to their unique features such as coherence, ultrashort pulse duration, and table-top scale system. Due to these unique properties, high-order harmonics have many applications of atomic and molecular spectroscopy, plasma diagnostics and solid-state physics. Bright generation of high-order harmonics is important for actual applications. Especially, the generation of strong well-collimated harmonics at 13 nm can be useful for the metrology of EUV lithography optics because of the high reflectivity of Mo-Si mirrors at this wavelength. The generation of bright high-order harmonics is rather difficult in the wavelength region below 15nm. Though argon and xenon gases have large conversion efficiency, harmonic generation from these gases is restricted to wavelengths over 20 nm due to low ionization potential. Hence, we choose neon for the harmonic generation around 13 nm; it has larger conversion efficiency than helium and higher ionization potential than argon. In this experiment, we have observed enhanced harmonic generation efficiency and low beam divergence of high-order harmonics from a elongated neon gas jet by the enhancement of laser propagation in an elongated gas jet. A uniform plasma column was produced when the gas jet was exposed to converging laser pulses.

  12. Order Reduction in High-Order Runge-Kutta Methods for Initial Boundary Value Problems

    OpenAIRE

    Rosales, Rodolfo Ruben; Seibold, Benjamin; Shirokoff, David; Zhou, Dong

    2017-01-01

    This paper studies the order reduction phenomenon for initial-boundary-value problems that occurs with many Runge-Kutta time-stepping schemes. First, a geometric explanation of the mechanics of the phenomenon is provided: the approximation error develops boundary layers, induced by a mismatch between the approximation error in the interior and at the boundaries. Second, an analysis of the modes of the numerical scheme is conducted, which explains under which circumstances boundary layers pers...

  13. Enthalpy and high temperature relaxation kinetics of stable vapor-deposited glasses of toluene

    International Nuclear Information System (INIS)

    Bhattacharya, Deepanjan; Sadtchenko, Vlad

    2014-01-01

    Stable non-crystalline toluene films of micrometer and nanometer thicknesses were grown by vapor deposition at distinct rates and probed by fast scanning calorimetry. Fast scanning calorimetry is shown to be extremely sensitive to the structure of the vapor-deposited phase and was used to characterize simultaneously its kinetic stability and its thermodynamic properties. According to our analysis, transformation of vapor-deposited samples of toluene during heating with rates in excess 10 5 K s −1 follows the zero-order kinetics. The transformation rate correlates strongly with the initial enthalpy of the sample, which increases with the deposition rate according to sub-linear law. Analysis of the transformation kinetics of vapor-deposited toluene films of various thicknesses reveal a sudden increase in the transformation rate for films thinner than 250 nm. The change in kinetics seems to correlate with the surface roughness scale of the substrate. The implications of these findings for the formation mechanism and structure of vapor-deposited stable glasses are discussed

  14. Comminution of solids caused by kinetic energy of high shear strain rate, with implications for impact, shock, and shale fracturing.

    Science.gov (United States)

    Bazant, Zdenek P; Caner, Ferhun C

    2013-11-26

    Although there exists a vast literature on the dynamic comminution or fragmentation of rocks, concrete, metals, and ceramics, none of the known models suffices for macroscopic dynamic finite element analysis. This paper outlines the basic idea of the macroscopic model. Unlike static fracture, in which the driving force is the release of strain energy, here the essential idea is that the driving force of comminution under high-rate compression is the release of the local kinetic energy of shear strain rate. The density of this energy at strain rates >1,000/s is found to exceed the maximum possible strain energy density by orders of magnitude, making the strain energy irrelevant. It is shown that particle size is proportional to the -2/3 power of the shear strain rate and the 2/3 power of the interface fracture energy or interface shear stress, and that the comminution process is macroscopically equivalent to an apparent shear viscosity that is proportional (at constant interface stress) to the -1/3 power of this rate. A dimensionless indicator of the comminution intensity is formulated. The theory was inspired by noting that the local kinetic energy of shear strain rate plays a role analogous to the local kinetic energy of eddies in turbulent flow.

  15. Cheap arbitrary high order methods for single integrand SDEs

    DEFF Research Database (Denmark)

    Debrabant, Kristian; Kværnø, Anne

    2017-01-01

    For a particular class of Stratonovich SDE problems, here denoted as single integrand SDEs, we prove that by applying a deterministic Runge-Kutta method of order $p_d$ we obtain methods converging in the mean-square and weak sense with order $\\lfloor p_d/2\\rfloor$. The reason is that the B-series...

  16. High-order noise filtering in nontrivial quantum logic gates

    CSIR Research Space (South Africa)

    Green, T

    2012-07-01

    Full Text Available composed of arbitrary control sequences. We present a general method to calculate the ensemble-averaged entanglement fidelity to arbitrary order in terms of noise filter functions, and provide explicit expressions to fourth order in the noise strength...

  17. A variable-order time-dependent neutron transport method for nuclear reactor kinetics using analytically-integrated space-time characteristics

    International Nuclear Information System (INIS)

    Hoffman, A. J.; Lee, J. C.

    2013-01-01

    A new time-dependent neutron transport method based on the method of characteristics (MOC) has been developed. Whereas most spatial kinetics methods treat time dependence through temporal discretization, this new method treats time dependence by defining the characteristics to span space and time. In this implementation regions are defined in space-time where the thickness of the region in time fulfills an analogous role to the time step in discretized methods. The time dependence of the local source is approximated using a truncated Taylor series expansion with high order derivatives approximated using backward differences, permitting the solution of the resulting space-time characteristic equation. To avoid a drastic increase in computational expense and memory requirements due to solving many discrete characteristics in the space-time planes, the temporal variation of the boundary source is similarly approximated. This allows the characteristics in the space-time plane to be represented analytically rather than discretely, resulting in an algorithm comparable in implementation and expense to one that arises from conventional time integration techniques. Furthermore, by defining the boundary flux time derivative in terms of the preceding local source time derivative and boundary flux time derivative, the need to store angularly-dependent data is avoided without approximating the angular dependence of the angular flux time derivative. The accuracy of this method is assessed through implementation in the neutron transport code DeCART. The method is employed with variable-order local source representation to model a TWIGL transient. The results demonstrate that this method is accurate and more efficient than the discretized method. (authors)

  18. Optimized low-order explicit Runge-Kutta schemes for high- order spectral difference method

    KAUST Repository

    Parsani, Matteo

    2012-01-01

    Optimal explicit Runge-Kutta (ERK) schemes with large stable step sizes are developed for method-of-lines discretizations based on the spectral difference (SD) spatial discretization on quadrilateral grids. These methods involve many stages and provide the optimal linearly stable time step for a prescribed SD spectrum and the minimum leading truncation error coefficient, while admitting a low-storage implementation. Using a large number of stages, the new ERK schemes lead to efficiency improvements larger than 60% over standard ERK schemes for 4th- and 5th-order spatial discretization.

  19. Large-eddy simulation in a mixing tee junction: High-order turbulent statistics analysis

    International Nuclear Information System (INIS)

    Howard, Richard J.A.; Serre, Eric

    2015-01-01

    Highlights: • Mixing and thermal fluctuations in a junction are studied using large eddy simulation. • Adiabatic and conducting steel wall boundaries are tested. • Wall thermal fluctuations are not the same between the flow and the solid. • Solid thermal fluctuations cannot be predicted from the fluid thermal fluctuations. • High-order turbulent statistics show that the turbulent transport term is important. - Abstract: This study analyses the mixing and thermal fluctuations induced in a mixing tee junction with circular cross-sections when cold water flowing in a pipe is joined by hot water from a branch pipe. This configuration is representative of industrial piping systems in which temperature fluctuations in the fluid may cause thermal fatigue damage on the walls. Implicit large-eddy simulations (LES) are performed for equal inflow rates corresponding to a bulk Reynolds number Re = 39,080. Two different thermal boundary conditions are studied for the pipe walls; an insulating adiabatic boundary and a conducting steel wall boundary. The predicted flow structures show a satisfactory agreement with the literature. The velocity and thermal fields (including high-order statistics) are not affected by the heat transfer with the steel walls. However, predicted thermal fluctuations at the boundary are not the same between the flow and the solid, showing that solid thermal fluctuations cannot be predicted by the knowledge of the fluid thermal fluctuations alone. The analysis of high-order turbulent statistics provides a better understanding of the turbulence features. In particular, the budgets of the turbulent kinetic energy and temperature variance allows a comparative analysis of dissipation, production and transport terms. It is found that the turbulent transport term is an important term that acts to balance the production. We therefore use a priori tests to evaluate three different models for the triple correlation

  20. Fabrication of highly ordered nanoporous alumina films by stable high-field anodization

    International Nuclear Information System (INIS)

    Li Yanbo; Zheng Maojun; Ma Li; Shen Wenzhong

    2006-01-01

    Stable high-field anodization (1500-4000 A m -2 ) for the fabrication of highly ordered porous anodic alumina films has been realized in a H 3 PO 4 -H 2 O-C 2 H 5 OH system. By maintaining the self-ordering voltage and adjusting the anodizing current density, high-quality self-ordered alumina films with a controllable inter-pore distance over a large range are achieved. The high anodizing current densities lead to high-speed film growth (4-10 μm min -1 ). The inter-pore distance is not solely dependent on the anodizing voltage, but is also influenced by the anodizing current density. This approach is simple and cost-effective, and is of great value for applications in diverse areas of nanotechnology

  1. Generation of initial kinetic distributions for simulation of long-pulse charged particle beams with high space-charge intensity

    Directory of Open Access Journals (Sweden)

    Steven M. Lund

    2009-11-01

    Full Text Available Self-consistent Vlasov-Poisson simulations of beams with high space-charge intensity often require specification of initial phase-space distributions that reflect properties of a beam that is well adapted to the transport channel—both in terms of low-order rms (envelope properties as well as the higher-order phase-space structure. Here, we first review broad classes of kinetic distributions commonly in use as initial Vlasov distributions in simulations of unbunched or weakly bunched beams with intense space-charge fields including the following: the Kapchinskij-Vladimirskij (KV equilibrium, continuous-focusing equilibria with specific detailed examples, and various nonequilibrium distributions, such as the semi-Gaussian distribution and distributions formed from specified functions of linear-field Courant-Snyder invariants. Important practical details necessary to specify these distributions in terms of standard accelerator inputs are presented in a unified format. Building on this presentation, a new class of approximate initial kinetic distributions are constructed using transformations that preserve linear focusing, single-particle Courant-Snyder invariants to map initial continuous-focusing equilibrium distributions to a form more appropriate for noncontinuous focusing channels. Self-consistent particle-in-cell simulations are employed to show that the approximate initial distributions generated in this manner are better adapted to the focusing channels for beams with high space-charge intensity. This improved capability enables simulations that more precisely probe intrinsic stability properties and machine performance.

  2. Fluctuations of order parameters in the high Tc superconductors

    International Nuclear Information System (INIS)

    Das, M.P.; Saif, A.G.

    1987-07-01

    Recently we have proposed a phenomenological approach in terms of two coexisting macroscopic order parameters corresponding to the superconducting and insulating states and have discussed the electrodynamical responses of the superconducting ceramics. In this paper we discuss the fluctuations of the order parameters both in the static and in the dynamical situations in the mean field approach and obtain results for the electrical conductivity which possesses anomalies as in granular materials. (author). 22 refs

  3. Stability of the high-order finite elements for acoustic or elastic wave propagation with high-order time stepping

    KAUST Repository

    De Basabe, Joná s D.; Sen, Mrinal K.

    2010-01-01

    popular in the recent past. We consider the Lax-Wendroff method (LWM) for time stepping and show that it allows for a larger time step than the classical leap-frog finite difference method, with higher-order accuracy. In particular the fourth-order LWM

  4. Synchronization in reduced-order of chaotic systems via control approaches based on high-order sliding-mode observer

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, A. [Electrical Engineering Doctoral Program, Mechanical and Electrical Engineering Faculty, Autonomous University of Nuevo Leon, 66450 San Nicolas de los Garza, N.L. (Mexico)], E-mail: angelrdz@gmail.com; De Leon, J. [Electrical Engineering Doctoral Program, Mechanical and Electrical Engineering Faculty, Autonomous University of Nuevo Leon, 66450 San Nicolas de los Garza, N.L. (Mexico)], E-mail: drjleon@gmail.com; Fridman, L. [Department of Control, Division of Electrical Engineering, Engineering Faculty, National Autonomous University of Mexico, 04510 Mexico City (Mexico)], E-mail: lfridman@servidor.unam.mx

    2009-12-15

    The reduced-order synchronization problem of two chaotic systems (master-slave) with different dimension and relative degree is considered. A control scheme based on a high-order sliding-mode observer-identifier and a feedback state controller is proposed, where the trajectories of slave can be synchronized with a canonical projection of the master. Thus, the reduced-order synchronization is achieved in spite of master/slave mismatches. Simulation results are provided in order to illustrate the performance of the proposed synchronization scheme.

  5. Synchronization in reduced-order of chaotic systems via control approaches based on high-order sliding-mode observer

    International Nuclear Information System (INIS)

    Rodriguez, A.; De Leon, J.; Fridman, L.

    2009-01-01

    The reduced-order synchronization problem of two chaotic systems (master-slave) with different dimension and relative degree is considered. A control scheme based on a high-order sliding-mode observer-identifier and a feedback state controller is proposed, where the trajectories of slave can be synchronized with a canonical projection of the master. Thus, the reduced-order synchronization is achieved in spite of master/slave mismatches. Simulation results are provided in order to illustrate the performance of the proposed synchronization scheme.

  6. High-order noise filtering in nontrivial quantum logic gates.

    Science.gov (United States)

    Green, Todd; Uys, Hermann; Biercuk, Michael J

    2012-07-13

    Treating the effects of a time-dependent classical dephasing environment during quantum logic operations poses a theoretical challenge, as the application of noncommuting control operations gives rise to both dephasing and depolarization errors that must be accounted for in order to understand total average error rates. We develop a treatment based on effective Hamiltonian theory that allows us to efficiently model the effect of classical noise on nontrivial single-bit quantum logic operations composed of arbitrary control sequences. We present a general method to calculate the ensemble-averaged entanglement fidelity to arbitrary order in terms of noise filter functions, and provide explicit expressions to fourth order in the noise strength. In the weak noise limit we derive explicit filter functions for a broad class of piecewise-constant control sequences, and use them to study the performance of dynamically corrected gates, yielding good agreement with brute-force numerics.

  7. Fabrication of high quality ordered porous anodic aluminum oxide templates

    International Nuclear Information System (INIS)

    Liu Kai; Du Kai; Chen Jing; Zhou Lan; Zhang Lin; Fang Yu

    2010-01-01

    The preparation of porous anodic aluminum oxide (AAO) templates has been studied with oxalic acid as electrolyte. The morphology of the as-prepared templates has been characterized by field-emission scanning electron microscope (FE-SEM). The pores distributed orderly and uniformly with the diameter ranging from 40 nm to 70 nm. The experimental results indicate that electrolyte concentration, oxidation voltage, oxidation temperature and oxidation time affect the structure of AAO templates. Ordered porous AAO templates can be derived without annealing and finishing. X-ray diffraction (XRD) analysis indicates that the aluminum oxide film is mainly composed of amorphous Al 2 O 3 . (authors)

  8. High-order upwind schemes for the wave equation on overlapping grids: Maxwell's equations in second-order form

    Science.gov (United States)

    Angel, Jordan B.; Banks, Jeffrey W.; Henshaw, William D.

    2018-01-01

    High-order accurate upwind approximations for the wave equation in second-order form on overlapping grids are developed. Although upwind schemes are well established for first-order hyperbolic systems, it was only recently shown by Banks and Henshaw [1] how upwinding could be incorporated into the second-order form of the wave equation. This new upwind approach is extended here to solve the time-domain Maxwell's equations in second-order form; schemes of arbitrary order of accuracy are formulated for general curvilinear grids. Taylor time-stepping is used to develop single-step space-time schemes, and the upwind dissipation is incorporated by embedding the exact solution of a local Riemann problem into the discretization. Second-order and fourth-order accurate schemes are implemented for problems in two and three space dimensions, and overlapping grids are used to treat complex geometry and problems with multiple materials. Stability analysis of the upwind-scheme on overlapping grids is performed using normal mode theory. The stability analysis and computations confirm that the upwind scheme remains stable on overlapping grids, including the difficult case of thin boundary grids when the traditional non-dissipative scheme becomes unstable. The accuracy properties of the scheme are carefully evaluated on a series of classical scattering problems for both perfect conductors and dielectric materials in two and three space dimensions. The upwind scheme is shown to be robust and provide high-order accuracy.

  9. Kinetics of incorporation/redistribution of photosensitizer hypericin to/from high-density lipoproteins.

    Science.gov (United States)

    Joniova, Jaroslava; Buriankova, Luboslava; Buzova, Diana; Miskovsky, Pavol; Jancura, Daniel

    2014-11-20

    By means of fluorescence spectroscopy we have studied the kinetics of interaction of a photosensitizer hypericin (Hyp) with high-density lipoproteins (HDL). Hyp is incorporated into HDL molecules as monomer till ratio Hyp/HDL ∼8:1 and above this ratio forms non-fluorescent aggregates. This number is different from that found in the case of Hyp incorporation into low-density lipoprotein (LDL) molecules (8:1 vs 30:1). The difference is mainly attributed to the smaller size of HDL in comparison with LDL molecule. Biphasic kinetics of Hyp association with HDL was observed. The rapid phase of incorporation is completed within seconds, while the slow one lasts several minutes. The kinetics of the association of Hyp molecules with free HDL, Hyp/HDL=10:1 complex and the redistribution of Hyp from Hyp/HDL=70:1 complex to free HDL molecules reveal a qualitative similar characteristics of these processes with those observed for the interaction of Hyp with LDL. However, the incorporation of Hyp into HDL in the "slow" phase is more rapid than to LDL and extend of Hyp penetration into lipoproteins in the fast phase is also much higher in the case of HDL. The lower concentration of cholesterol molecules in outer shell of HDL particles is probably the determining factor for the more rapid kinetics of Hyp incorporation to and redistribution from these molecules when comparing with LDL particles. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Model order reduction for complex high-tech systems

    NARCIS (Netherlands)

    Lutowska, A.; Hochstenbach, M.E.; Schilders, W.H.A.; Michielsen, B.; Poirier, J.R.

    2012-01-01

    This paper presents a computationally efficient model order reduction (MOR) technique for interconnected systems. This MOR technique preserves block structures and zero blocks and exploits separate MOR approximations for the individual sub-systems in combination with low rank approximations for the

  11. Kinetics of enzymatic high-solid hydrolysis of lignocellulosic biomass studied by calorimetry.

    Science.gov (United States)

    Olsen, Søren N; Lumby, Erik; McFarland, Kc; Borch, Kim; Westh, Peter

    2011-03-01

    Enzymatic hydrolysis of high-solid biomass (>10% w/w dry mass) has become increasingly important as a key step in the production of second-generation bioethanol. To this end, development of quantitative real-time assays is desirable both for empirical optimization and for detailed kinetic analysis. In the current work, we have investigated the application of isothermal calorimetry to study the kinetics of enzymatic hydrolysis of two substrates (pretreated corn stover and Avicel) at high-solid contents (up to 29% w/w). It was found that the calorimetric heat flow provided a true measure of the hydrolysis rate with a detection limit of about 500 pmol glucose s(-1). Hence, calorimetry is shown to be a highly sensitive real-time method, applicable for high solids, and independent on the complexity of the substrate. Dose-response experiments with a typical cellulase cocktail enabled a multidimensional analysis of the interrelationships of enzyme load and the rate, time, and extent of the reaction. The results suggest that the hydrolysis rate of pretreated corn stover is limited initially by available attack points on the substrate surface (conversion) but becomes proportional to enzyme dosage (excess of attack points) at later stages (>10% conversion). This kinetic profile is interpreted as an increase in polymer end concentration (substrate for CBH) as the hydrolysis progresses, probably due to EG activity in the enzyme cocktail. Finally, irreversible enzyme inactivation did not appear to be the source of reduced hydrolysis rate over time.

  12. High-order harmonics from bow wave caustics driven by a high-intensity laser

    International Nuclear Information System (INIS)

    Pirozhkov, A.S.; Kando, M.; Esirkepov, T.Zh.

    2012-01-01

    We propose a new mechanism of high-order harmonic generation during an interaction of a high-intensity laser pulse with underdense plasma. A tightly focused laser pulse creates a cavity in plasma pushing electrons aside and exciting the wake wave and the bow wave. At the joint of the cavity wall and the bow wave boundary, an annular spike of electron density is formed. This spike surrounds the cavity and moves together with the laser pulse. Collective motion of electrons in the spike driven by the laser field generates high-order harmonics. A strong localization of the electron spike, its robustness to oscillations imposed by the laser field and, consequently, its ability to produce high-order harmonics is explained by catastrophe theory. The proposed mechanism explains the experimental observations of high-order harmonics with the 9 TW J-KAREN laser (JAEA, Japan) and the 120 TW Astra Gemini laser (CLF RAL, UK) [A. S. Pirozhkov, et al., arXiv:1004.4514 (2010); A. S. Pirozhkov et al, AIP Proceedings, this volume]. The theory is corroborated by high-resolution two-and three-dimensional particle-in-cell simulations.

  13. FEA identification of high order generalized equivalent circuits for MF high voltage transformers

    CERN Document Server

    Candolfi, Sylvain; Cros, Jérôme; Aguglia, Davide

    2015-01-01

    This paper presents a specific methodology to derive high order generalized equivalent circuits from electromagnetic finite element analysis for high voltage medium frequency and pulse transformers by splitting the main windings in an arbitrary number of elementary windings. With this modeling approach, the dynamic model of the transformer over a large bandwidth is improved and the order of the generalized equivalent circuit can be adapted to a specified bandwidth. This efficient tool can be used by the designer to quantify the influence of the local structure of transformers on their dynamic behavior. The influence of different topologies and winding configurations is investigated. Several application examples and an experimental validation are also presented.

  14. Fabrication and structural characterization of highly ordered titania nanotube arrays

    Science.gov (United States)

    Shi, Hongtao; Ordonez, Rosita

    Titanium (Ti) dioxide nanotubes have drawn much attention in the past decade due to the fact that titania is an extremely versatile material with a variety of technological applications. Anodizing Ti in different electrolytes has proved to be quite successful so far in creating the nanotubes, however, their degree of order is still not nearly as good as nanoporous anodic alumina. In this work, we first deposit a thin layer of aluminum (Al) onto electropolished Ti substrates, using thermal evaporation. Such an Al layer is then anodized in 0.3 M oxalic acid, forming an ordered nanoporous alumina mask on top of Ti. Afterwards, the anodization of Ti is accomplished at 20 V in solutions containing 1 M NaH2PO4 and 0.5% HF or H2SO4, which results in the creation of ordered titania nanotube arrays. The inner pore diameter of the nanotubes can be tuned from ~50 nm to ~75 nm, depending on the anodization voltage applied to Al or Ti. X-ray diffractometry shows the as-grown titania nanotubes are amorphous. Samples annealed at different temperatures in ambient atmosphere will be also reported.

  15. New high order FDTD method to solve EMC problems

    Directory of Open Access Journals (Sweden)

    N. Deymier

    2015-10-01

    Full Text Available In electromagnetic compatibility (EMC context, we are interested in developing new ac- curate methods to solve efficiently and accurately Maxwell’s equations in the time domain. Indeed, usual methods such as FDTD or FVTD present im- portant dissipative and/or dispersive errors which prevent to obtain a good numerical approximation of the physical solution for a given industrial scene unless we use a mesh with a very small cell size. To avoid this problem, schemes like the Discontinuous Galerkin (DG method, based on higher order spa- tial approximations, have been introduced and stud- ied on unstructured meshes. However the cost of this kind of method can become prohibitive accord- ing to the mesh used. In this paper, we first present a higher order spatial approximation method on carte- sian meshes. It is based on a finite element ap- proach and recovers at the order 1 the well-known Yee’s schema. Next, to deal with EMC problem, a non-oriented thin wire formalism is proposed for this method. Finally, several examples are given to present the benefits of this new method by compar- ison with both Yee’s schema and DG approaches.

  16. Lipase-catalyzed highly enantioselective kinetic resolution of boron-containing chiral alcohols.

    Science.gov (United States)

    Andrade, Leandro H; Barcellos, Thiago

    2009-07-16

    The first application of enzymes as catalysts to obtain optically pure boron compounds is described. The kinetic resolution of boron-containing chiral alcohols via enantioselective transesterification catalyzed by lipases was studied. Aromatic, allylic, and aliphatic secondary alcohols containing a boronate ester or boronic acid group were resolved by lipase from Candida antartica (CALB), and excellent E values (E > 200) and high enantiomeric excesses (up to >99%) of both remaining substrates and acetylated product were obtained.

  17. Activation energy and R. Chen frequency factor in the Randall and Wilkins original equation for second order kinetics. Emission curve simulated in Microsoft Excel algebra

    International Nuclear Information System (INIS)

    Moreno M, A.; Moreno B, A.

    2000-01-01

    In this work the incorporation of activation energy and frequency factor parameters proposed by R. Chen are presented in the original formulation of Randall and wilkins second order kinetics. The results concordance are compared between the calculus following the R. Chen methodology with those ones obtained by direct incorporation of the previously indicated in the Randall-Wilkins-Levy expression for a simulated thermoluminescent emission curve of two peaks with maximum peak temperature (tm): t m1=120 and t m2=190. (Author)

  18. High-Order Entropy Stable Formulations for Computational Fluid Dynamics

    Science.gov (United States)

    Carpenter, Mark H.; Fisher, Travis C.

    2013-01-01

    A systematic approach is presented for developing entropy stable (SS) formulations of any order for the Navier-Stokes equations. These SS formulations discretely conserve mass, momentum, energy and satisfy a mathematical entropy inequality. They are valid for smooth as well as discontinuous flows provided sufficient dissipation is added at shocks and discontinuities. Entropy stable formulations exist for all diagonal norm, summation-by-parts (SBP) operators, including all centered finite-difference operators, Legendre collocation finite-element operators, and certain finite-volume operators. Examples are presented using various entropy stable formulations that demonstrate the current state-of-the-art of these schemes.

  19. High order mode damping in a pill box cavity

    International Nuclear Information System (INIS)

    Voelker, F.; Lambertson, G.; Rimmer, R.

    1991-04-01

    We have substantially damped the higher order modes (HOM's) in a pill box cavity with attached beam pipe, while reducing the Q of the principal mode by less that 10%. This was accomplished by cutting slots in the cavity end wall at a radius at which the magnetic field of the lowest frequency HOM's is large. The slots couple energy from the cavity into waveguides which are below cut off for the principal mode, but which propagate energy at the HOM frequencies. Three slots 120 degrees apart couple HOM energy to three waveguides. We are concerned primarily with accelerating and deflecting modes: i.e. the TM mnp modes of order m=0 and m=1. For the strongest damping, only three m=0 and m=1 modes were detectable. These were the principal TM 010 mode, the TM 011 longitudinal mode, and the TM 110 deflecting mode. In addition the HOM Q's and the reduction of Q for the principal mode were determined by computer calculation. The principal mode Q for an actual rf cavity could not be measured because the bolted joints used in the construction of the cavity were not sufficiently good to support Q's above 6000. The measured Q of the first longitudinal mode was 31 and of the first transverse mode 37. Our maximum damping was limited by how well we could terminated the waveguides, and indeed, the computer calculations for the TM 011 and TM 110 modes give values in the range we measured. 2 refs., 2 figs

  20. Development of Kinetics for Soot Oxidation at High Pressures Under Fuel-Lean Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Lighty, JoAnn [Univ. of Utah, Salt Lake City, UT (United States); Vander Wal, Randy [Pennsylvania State Univ., University Park, PA (United States)

    2014-04-21

    The focus of the proposed research was to develop kinetic models for soot oxidation with the hope of developing a validated, predictive, multi-­scale, combustion model to optimize the design and operation of evolving fuels in advanced engines for transportation applications. The work focused on the relatively unstudied area of the fundamental mechanism for soot oxidation. The objectives include understanding of the kinetics of soot oxidation by O2 under high pressure which require: 1) development of intrinsic kinetics for the surface oxidation, which takes into account the dependence of reactivity upon nanostructure and 2) evolution of nanostructure and its impact upon oxidation rate and 3) inclusion of internal surface area development and possible fragmentation resulting from pore development and /or surface oxidation. These objectives were explored for a variety of pure fuel components and surrogate fuels. This project was a joint effort between the University of Utah (UU) and Pennsylvania State University (Penn State). The work at the UU focuses on experimental studies using a two-­stage burner and a high- pressure thermogravimetric analyzer (TGA). Penn State provided HRTEM images and guidance in the fringe analysis algorithms and parameter quantification for the images. This report focuses on completion done under supplemental funding.

  1. High Order Tensor Formulation for Convolutional Sparse Coding

    KAUST Repository

    Bibi, Adel Aamer

    2017-12-25

    Convolutional sparse coding (CSC) has gained attention for its successful role as a reconstruction and a classification tool in the computer vision and machine learning community. Current CSC methods can only reconstruct singlefeature 2D images independently. However, learning multidimensional dictionaries and sparse codes for the reconstruction of multi-dimensional data is very important, as it examines correlations among all the data jointly. This provides more capacity for the learned dictionaries to better reconstruct data. In this paper, we propose a generic and novel formulation for the CSC problem that can handle an arbitrary order tensor of data. Backed with experimental results, our proposed formulation can not only tackle applications that are not possible with standard CSC solvers, including colored video reconstruction (5D- tensors), but it also performs favorably in reconstruction with much fewer parameters as compared to naive extensions of standard CSC to multiple features/channels.

  2. High level waste facilities - Continuing operation or orderly shutdown

    International Nuclear Information System (INIS)

    Decker, L.A.

    1998-04-01

    Two options for Environmental Impact Statement No action alternatives describe operation of the radioactive liquid waste facilities at the Idaho Chemical Processing Plant at the Idaho National Engineering and Environmental Laboratory. The first alternative describes continued operation of all facilities as planned and budgeted through 2020. Institutional control for 100 years would follow shutdown of operational facilities. Alternatively, the facilities would be shut down in an orderly fashion without completing planned activities. The facilities and associated operations are described. Remaining sodium bearing liquid waste will be converted to solid calcine in the New Waste Calcining Facility (NWCF) or will be left in the waste tanks. The calcine solids will be stored in the existing Calcine Solids Storage Facilities (CSSF). Regulatory and cost impacts are discussed

  3. Variational methods for high-order multiphoton processes

    International Nuclear Information System (INIS)

    Gao, B.; Pan, C.; Liu, C.; Starace, A.F.

    1990-01-01

    Methods for applying the variationally stable procedure for Nth-order perturbative transition matrix elements of Gao and Starace [Phys. Rev. Lett. 61, 404 (1988); Phys. Rev. A 39, 4550 (1989)] to multiphoton processes involving systems other than atomic H are presented. Three specific cases are discussed: one-electron ions or atoms in which the electron--ion interaction is described by a central potential; two-electron ions or atoms in which the electronic states are described by the adiabatic hyperspherical representation; and closed-shell ions or atoms in which the electronic states are described by the multiconfiguration Hartree--Fock representation. Applications are made to the dynamic polarizability of He and the two-photon ionization cross section of Ar

  4. Importance of high order momentum terms in SLC optics

    International Nuclear Information System (INIS)

    Kozanecki, W.

    1985-01-01

    The evaluation of background levels at the SLC relies, in several cases, on the proper representation of how low momentum electrons propagate through the Arcs and the Final Focus System (FFS). For example, beam - gas bremsstrahlung in the arcs causes electrons of up to 6% energy loss to be transported through to the IP; secondary showers on edges of masks and collimators yield debris with a very wide momentum spectrum. This note is a naive attempt at checking the validity of TRANSPORT and TURTLE calculations, by evaluating the contributions of the momentum terms to increasingly higher order, and checking the mutual consistency of the results produced by the two methods on a beam of wide momentum spread. 8 refs., 4 figs., 1 tab

  5. High order discrete ordinates transport in two dimensions

    International Nuclear Information System (INIS)

    Arkuszewski, J.J.

    1980-01-01

    A two-dimensional neutron transport equation in (x,y) geometry is solved by the subdomain version of the weighted residual method. The weight functions are chosen to be characteristic functions of computational boxes (subdomains). In the case of bilinear interpolant the conventional diamond relations are obtained, while the quadratic one produces generalized diamond relations containing first derivatives of the solution. The balance equation remains the same. The derivation yields also additional relations for extrapolating boundary values of derivatives and leaves the room for supplementing the interpolant with specially curtailed higher order polynomials. The method requires only slight modifications in inner iteration process used by conventional discrete ordinates programs, and has been introduced as an option into the program DOT2. The paper contains comparisons of the proposed method with conventional one based on calculations of IAEA-CRP transport theory benchmarks. (author)

  6. High-resolution x-ray scattering studies of charge ordering in highly correlated electron systems

    International Nuclear Information System (INIS)

    Ghazi, M.E.

    2002-01-01

    Many important properties of transition metal oxides such as, copper oxide high-temperature superconductivity and colossal magnetoresistance (CMR) in manganites are due to strong electron-electron interactions, and hence these systems are called highly correlated systems. These materials are characterised by the coexistence of different kinds of order, including charge, orbital, and magnetic moment. This thesis contains high-resolution X-ray scattering studies of charge ordering in such systems namely the high-T C copper oxides isostructural system, La 2-x Sr x NiO 4 with various Sr concentrations (x = 0.33 - 0.2), and the CMR manganite system, Nd 1/2 Sr 1/2 MnO 3 . It also includes a review of charge ordering in a large variety of transition metal oxides, such as ferrates, vanadates, cobaltates, nickelates, manganites, and cuprates systems, which have been reported to date in the scientific literature. Using high-resolution synchrotron X-ray scattering, it has been demonstrated that the charge stripes exist in a series of single crystals of La 2-x Sr x NiO 4 with Sr concentrations (x = 0.33 - 0.2) at low temperatures. Satellite reflections due to the charge ordering were found with the wavevector (2ε, 0, 1) below the charge ordering transition temperature, T CO , where 2ε is the amount of separation from the corresponding Bragg peak. The charge stripes are shown to be two-dimensional in nature both by measurements of their correlation lengths and by measurement of the critical exponents of the charge stripe melting transition with an anomaly at x = 0.25. The results show by decreasing the hole concentration from the x = 0.33 to 0.2, the well-correlated charge stripes change to a glassy state at x = 0.25. The electronic transition into the charge stripe phase is second-order without any corresponding structural transition. Above the second-order transition critical scattering was observed due to fluctuations into the charge stripe phase. In a single-crystal of Nd

  7. Kinetic energy of throughfall in a highly diverse forest ecosystem in the humid subtropics

    Science.gov (United States)

    Geißler, Christian; Kühn, Peter; Scholten, Thomas

    2010-05-01

    conditions. Most of the energy is supposed to be absorbed by shrubs, herbs and the litter layer. For some species in the shrub and herb layer throughfall drops are crucial for seed dispersal (Nakanishi 2002). A higher kinetic energy of throughfall should be advantageous for seed dispersal and probably support biodiversity. Further, it is shown that the variability of kinetic energy in forests varies among the age of the forest stand which can be related to the forest structure. In our case there is a high variability in young forests (left out) and gaps in the tree layer. Old forests (> 80 years) also have a high variability in kinetic energy. There, external influences like snow and wind break result in a fragmentary tree layer which allows less erosive rainfall to reach the forest floor. Medium aged forests are more homogenous regarding canopy closure or tree heights. Generally, the variability of kinetic energy in forests is increasing with the amount of rainfall. Moreover, it is shown that the kinetic energy of throughfall is species specific. For the investigated tree species the values range between 24.41 J m-2 mm-1 (Daphniphyllum oldhamii) and 33.24 J m-2 mm-1 (Schima superba) while the concurrent rainfall in the open field has an average kinetic energy of 6.75 J m-2 mm-1. Leaf size and canopy architecture are supposed to be two of the controlling variables for specific species. These results give implications for afforestation measures and are important input variables for modeling of erosion processes. Chapman, G., 1948. Size of raindrops and their striking force at the soil surface in a Red Pine plantation. Transactions - American Geophysical Union, 29: 664-670. Ellison, W.D., 1947. Soil Erosion Studies - Part II. Agricultural Engineering, 28: 197-201. Geißler, C., Kühn, P., Böhnke, M., Bruelheide, H., Shi, X., Scholten, T., under review: Measuring splash erosion potential under vegetation using sand-filled splash cups. Hall, R.L., Calder, I.R., 1993. Drop size

  8. Quantum-path control in high-order harmonic generation at high photon energies

    International Nuclear Information System (INIS)

    Zhang Xiaoshi; Lytle, Amy L; Cohen, Oren; Murnane, Margaret M; Kapteyn, Henry C

    2008-01-01

    We show through experiment and calculations how all-optical quasi-phase-matching of high-order harmonic generation can be used to selectively enhance emission from distinct quantum trajectories at high photon energies. Electrons rescattered in a strong field can traverse short and long quantum trajectories that exhibit differing coherence lengths as a result of variations in intensity of the driving laser along the direction of propagation. By varying the separation of the pulses in a counterpropagating pulse train, we selectively enhance either the long or the short quantum trajectory, and observe distinct spectral signatures in each case. This demonstrates a new type of coupling between the coherence of high-order harmonic beams and the attosecond time-scale quantum dynamics inherent in the process

  9. Effects of high-order deformation on high-K isomers in superheavy nuclei

    International Nuclear Information System (INIS)

    Liu, H. L.; Bertulani, C. A.; Xu, F. R.; Walker, P. M.

    2011-01-01

    Using, for the first time, configuration-constrained potential-energy-surface calculations with the inclusion of β 6 deformation, we find remarkable effects of the high-order deformation on the high-K isomers in 254 No, the focus of recent spectroscopy experiments on superheavy nuclei. For shapes with multipolarity six, the isomers are more tightly bound and, microscopically, have enhanced deformed shell gaps at N=152 and Z=100. The inclusion of β 6 deformation significantly improves the description of the very heavy high-K isomers.

  10. High order resonances in the evolution of the lunar orbit

    International Nuclear Information System (INIS)

    Kovalevsky, J.

    1983-01-01

    This paper deals with the long term evolution of the motion of the Moon or any other natural satellite under the combined influence of gravitational forces (lunar theory) and the tidal effects. The author studied the equations that are left when all the periodic non-resonant terms are eliminated. They describe the evolution of the mean elements of the Moon. Only the equations involving the variation of the semi-major axis are considered here. Simplified equations, preserving the Hamiltonian form of the lunar theory are first considered and solved. It is shown that librations exist only for those terms which have a coefficient in the lunar theory larger than a quantity A which is a function of the magnitude of the tidal effects. The solution of the general case can be derived from a Hamiltonian solution by a method of variation of constants. The crossing of a libration region causes a retardation in the increase of the semi-major axis. These results are confirmed by numerical integration and orders of magnitude of this retardation are given. (Auth.)

  11. Detection of Doppler Microembolic Signals Using High Order Statistics

    Directory of Open Access Journals (Sweden)

    Maroun Geryes

    2016-01-01

    Full Text Available Robust detection of the smallest circulating cerebral microemboli is an efficient way of preventing strokes, which is second cause of mortality worldwide. Transcranial Doppler ultrasound is widely considered the most convenient system for the detection of microemboli. The most common standard detection is achieved through the Doppler energy signal and depends on an empirically set constant threshold. On the other hand, in the past few years, higher order statistics have been an extensive field of research as they represent descriptive statistics that can be used to detect signal outliers. In this study, we propose new types of microembolic detectors based on the windowed calculation of the third moment skewness and fourth moment kurtosis of the energy signal. During energy embolus-free periods the distribution of the energy is not altered and the skewness and kurtosis signals do not exhibit any peak values. In the presence of emboli, the energy distribution is distorted and the skewness and kurtosis signals exhibit peaks, corresponding to the latter emboli. Applied on real signals, the detection of microemboli through the skewness and kurtosis signals outperformed the detection through standard methods. The sensitivities and specificities reached 78% and 91% and 80% and 90% for the skewness and kurtosis detectors, respectively.

  12. Ordered Functionalized Silica Materials with High Proton Conductivity

    Czech Academy of Sciences Publication Activity Database

    Marschall, R.; Rathouský, Jiří; Wark, M.

    2007-01-01

    Roč. 19, č. 26 (2007), s. 6401-6407 ISSN 0897-4756 R&D Projects: GA MŠk 1M0577 Grant - others:Deutsche Forschungsgemeinschaft(DE) CA 147/13-1, SPP1181 Institutional research plan: CEZ:AV0Z40400503 Source of funding: R - rámcový projekt EK Keywords : silica * high proton conductivity * Si-MCM-41 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.883, year: 2007

  13. Kinetics of passivation of a nickel-base alloy in high temperature water

    Energy Technology Data Exchange (ETDEWEB)

    Machet, A. [Laboratoire de Physico-Chimie des Surfaces, CNRS-ENSCP (UMR 7045), Ecole Nationale Superieure de Chimie de Paris, Universite Pierre et Marie Curie, F-75231 Paris cedex 05 (France)]|[Framatome ANP, Tour AREVA, F-92084 Paris-la-Defense (France); Galtayries, A.; Zanna, S.; Marcus, P. [Laboratoire de Physico-Chimie des Surfaces, CNRS-ENSCP (UMR 7045), Ecole Nationale Superieure de Chimie de Paris, Universite Pierre et Marie Curie, F-75231 Paris cedex 05 (France); Jolivet, P.; Scott, P. [Framatome ANP, Tour AREVA, F-92084 Paris-la-Defense (France); Foucault, M.; Combrade, P. [Framatome ANP, Centre Technique, F-71205 Le Creusot (France)

    2004-07-01

    The kinetics of passivation and the composition of the surface oxide layer, in high temperature and high pressure water, of a nickel-chromium-iron alloy (Alloy 600) have been investigated by X-ray Photoelectron Spectroscopy (XPS). The samples have been exposed for short (0.4 - 8.2 min) and longer (0 - 400 hours) time periods to high temperature (325 deg. C) and high pressure water (containing boron and lithium) under controlled hydrogen pressure. The experiments were performed in two types of autoclaves: a novel autoclave dedicated to short time periods and a classic static autoclave for the longer exposures. In the initial stage of passivation, a continuous ultra-thin layer of chromium oxide (Cr{sub 2}O{sub 3}) is rapidly formed on the surface with an external layer of chromium hydroxide. For longer times of passivation, the oxide layer is in a duplex form with an internal chromium oxide layer and an external layer of nickel hydroxide. The growth of the internal Cr{sub 2}O{sub 3} oxide layer has been fitted by three classical models (parabolic, logarithmic and inverse logarithmic laws) for the short passivation times, and the growth curves have been extrapolated to longer passivation periods. The comparison with the experimental results reveals that the kinetics of passivation of Alloy 600 in high temperature and high pressure water, for passivation times up to 400 hours, is well fitted by a logarithmic growth law. (authors)

  14. Kinetics of passivation of a nickel-base alloy in high temperature water

    International Nuclear Information System (INIS)

    Machet, A.; Galtayries, A.; Zanna, S.; Marcus, P.; Jolivet, P.; Scott, P.; Foucault, M.; Combrade, P.

    2004-01-01

    The kinetics of passivation and the composition of the surface oxide layer, in high temperature and high pressure water, of a nickel-chromium-iron alloy (Alloy 600) have been investigated by X-ray Photoelectron Spectroscopy (XPS). The samples have been exposed for short (0.4 - 8.2 min) and longer (0 - 400 hours) time periods to high temperature (325 deg. C) and high pressure water (containing boron and lithium) under controlled hydrogen pressure. The experiments were performed in two types of autoclaves: a novel autoclave dedicated to short time periods and a classic static autoclave for the longer exposures. In the initial stage of passivation, a continuous ultra-thin layer of chromium oxide (Cr 2 O 3 ) is rapidly formed on the surface with an external layer of chromium hydroxide. For longer times of passivation, the oxide layer is in a duplex form with an internal chromium oxide layer and an external layer of nickel hydroxide. The growth of the internal Cr 2 O 3 oxide layer has been fitted by three classical models (parabolic, logarithmic and inverse logarithmic laws) for the short passivation times, and the growth curves have been extrapolated to longer passivation periods. The comparison with the experimental results reveals that the kinetics of passivation of Alloy 600 in high temperature and high pressure water, for passivation times up to 400 hours, is well fitted by a logarithmic growth law. (authors)

  15. Lithiation Kinetics in High-Performance Porous Vanadium Nitride Nanosheet Anode

    International Nuclear Information System (INIS)

    Peng, Xiang; Li, Wan; Wang, Lei; Hu, Liangsheng; Jin, Weihong; Gao, Ang; Zhang, Xuming; Huo, Kaifu; Chu, Paul K.

    2016-01-01

    Vanadium nitride (VN) is promising in lithium ion battery (LIB) anode due to its high energy density, chemical stability, and corrosion resistivity. Herein, porous VN nanosheets are synthesized hydrothermally followed by an ammonia treatment. The porous nanosheets offer a large interfacial area between the electrode and electrolyte as well as short Li + diffusion path and consequently, the VN nanosheets electrode has high capacity and rate capability as an anode in LIB. The VN anode delivers a high reversible capacity of 455 mAh g −1 at a current density of 100 mA g −1 and it remains at 341 mAh g −1 when the current density is increased to 1 A g −1 . The charge transfer and Li + diffusion kinetics during the lithiation process is studied systematically. A highly stable SEI film is formed during the initial discharging-charging cycles to achieve a long cycle life and sustained capacity at a high level for 250 discharging-charging cycles without deterioration. This work demonstrates the preparation of high-performance LIB anode materials by a simple method and elucidates the lithiation kinetics.

  16. Kinetic model for quartz and spinel dissolution during melting of high-level-waste glass batch

    International Nuclear Information System (INIS)

    Pokorny, Richard; Rice, Jarrett A.; Crum, Jarrod V.; Schweiger, Michael J.; Hrma, Pavel

    2013-01-01

    The dissolution of quartz particles and the growth and dissolution of crystalline phases during the conversion of batch to glass potentially affects both the glass melting process and product quality. Crystals of spinel exiting the cold cap to molten glass below can be troublesome during the vitrification of iron-containing high-level wastes. To estimate the distribution of quartz and spinel fractions within the cold cap, we used kinetic models that relate fractions of these phases to temperature and heating rate. Fitting the model equations to data showed that the heating rate, apart from affecting quartz and spinel behavior directly, also affects them indirectly via concurrent processes, such as the formation and motion of bubbles. Because of these indirect effects, it was necessary to allow one kinetic parameter (the pre-exponential factor) to vary with the heating rate. The resulting kinetic equations are sufficiently simple for the detailed modeling of batch-to-glass conversion as it occurs in glass melters. The estimated fractions and sizes of quartz and spinel particles as they leave the cold cap, determined in this study, will provide the source terms needed for modeling the behavior of these solid particles within the flow of molten glass in the melter

  17. High-Pressure Turbulent Flame Speeds and Chemical Kinetics of Syngas Blends with and without Impurities

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Eric; Mathieu, Olivier; Morones, Anibal; Ravi, Sankar; Keesee, Charles; Hargis, Joshua; Vivanco, Jose

    2014-12-01

    This Topical Report documents the first year of the project, from October 1, 2013 through September 30, 2014. Efforts for this project included experiments to characterize the atmospheric-pressure turbulent flame speed vessel over a range of operating conditions (fan speeds and turbulent length scales). To this end, a new LDV system was acquired and set up for the detailed characterization of the turbulence field. Much progress was made in the area of impurity kinetics, which included a numerical study of the effect of impurities such as NO2, NO, H2S, and NH3 on ignition delay times and laminar flame speeds of syngas blends at engine conditions. Experiments included a series of laminar flame speed measurements for syngas (CO/H2) blends with various levels of CH4 and C2H6 addition, and the results were compared to the chemical kinetics model of NUI Galway. Also, a final NOx kinetics mechanism including ammonia was assembled, and a journal paper was written and is now in press. Overall, three journal papers and six conference papers related to this project were published this year. Finally, much progress was made on the design of the new high-pressure turbulent flame speed facility. An overall design that includes a venting system was decided upon, and the detailed design is in progress.

  18. A combined high-temperature experimental and theoretical kinetic study of the reaction of dimethyl carbonate with OH radicals

    KAUST Repository

    Khaled, Fathi; Giri, Binod; Szőri, Milá n; Mai, Tam V.-T.; Huynh, Lam K.; Farooq, Aamir

    2017-01-01

    The reaction kinetics of dimethyl carbonate (DMC) and OH radicals were investigated behind reflected shock waves over the temperature range of 872-1295 K and at pressures near 1.5 atm. Reaction progress was monitored by detecting OH radicals at 306.69 nm using a UV laser absorption technique. The rate coefficients for the reaction of DMC with OH radicals were extracted using a detailed kinetic model developed by Glaude et al. (Proc. Combust. Inst. 2005, 30(1), 1111-1118). The experimental rate coefficients can be expressed in Arrhenius form as: kexpt'l = 5.15 × 10(13) exp(-2710.2/T) cm(3) mol(-1) s(-1). To explore the detailed chemistry of the DMC + OH reaction system, theoretical kinetic analyses were performed using high-level ab initio and master equation/Rice-Ramsperger-Kassel-Marcus (ME/RRKM) calculations. Geometry optimization and frequency calculations were carried out at the second-order Møller-Plesset (MP2) perturbation level of theory using Dunning's augmented correlation consistent-polarized valence double-ζ basis set (aug-cc-pVDZ). The energy was extrapolated to the complete basis set using single point calculations performed at the CCSD(T)/cc-pVXZ (where X = D, T) level of theory. For comparison purposes, additional ab initio calculations were also carried out using composite methods such as CBS-QB3, CBS-APNO, G3 and G4. Our calculations revealed that the H-abstraction reaction of DMC by OH radicals proceeds via an addition elimination mechanism in an overall exothermic process, eventually forming dimethyl carbonate radicals and H2O. Theoretical rate coefficients were found to be in excellent agreement with those determined experimentally. Rate coefficients for the DMC + OH reaction were combined with literature rate coefficients of four straight chain methyl ester + OH reactions to extract site-specific rates of H-abstraction from methyl esters by OH radicals.

  19. High-order optical nonlinearities in nanocomposite films dispersed with semiconductor quantum dots at high concentrations

    International Nuclear Information System (INIS)

    Tomita, Yasuo; Matsushima, Shun-suke; Yamagami, Ryu-ichi; Jinzenji, Taka-aki; Sakuma, Shohei; Liu, Xiangming; Izuishi, Takuya; Shen, Qing

    2017-01-01

    We describe the nonlinear optical properties of inorganic-organic nanocomposite films in which semiconductor CdSe quantum dots as high as 6.8 vol.% are dispersed. Open/closed Z-scan measurements, degenerate multi-wave mixing and femtosecond pump-probe/transient grating measurements are conducted. It is shown that the observed fifth-order optical nonlinearity has the cascaded third-order contribution that becomes prominent at high concentrations of CdSe QDs. It is also shown that there are picosecond-scale intensity-dependent and nanosecond-scale intensity-independent decay components in absorptive and refractive nonlinearities. The former is caused by the Auger process, while the latter comes from the electron-hole recombination process. (paper)

  20. Overall and specific migration from multilayer high barrier food contact materials - kinetic study of cyclic polyester oligomers migration.

    Science.gov (United States)

    Úbeda, Sara; Aznar, Margarita; Vera, Paula; Nerín, Cristina; Henríquez, Luis; Taborda, Laura; Restrepo, Claudia

    2017-10-01

    Most multilayer high barrier materials used in food packaging have a polyurethane adhesive layer in their structures. In order to assess the safety of these materials, it is important to determine the compounds intentionally added to the adhesives (IAS) as well as those non-intentionally added substances (NIAS). During the manufacture of polyurethane adhesives, some by-products can be formed, such as cyclic polyester oligomers coming from the reaction between dicarboxylic acids and glycols. Since these compounds are not listed in the Regulation 10/2011/EU, they should not be found in migration above 0.01 mg/kg of simulant. In this study two flexible multilayer packaging materials were used and migration was evaluated in simulant A (ethanol 10% v/v), simulant B (acetic acid 3% w/v) and simulant ethanol 95% v/v during 10 days at 60ºC. Identification and quantification of non-volatile compounds was carried out by UPLC-MS-QTOF. Most of migrants were oligomers such as cyclic polyesters and caprolactam oligomers. Overall migration and specific migration of adipic acid-diethylene glycol and phthalic acid-diethylene glycol were monitored over time and analysed by UPLC-MS-TQ. In most cases, ethanol 95% v/v was the simulant with the highest concentration values. Overall migration kinetics followed a similar pattern than specific migration kinetics.

  1. Breadnut peel as a highly effective low-cost biosorbent for methylene blue: Equilibrium, thermodynamic and kinetic studies

    Directory of Open Access Journals (Sweden)

    Linda B.L. Lim

    2017-05-01

    Full Text Available This work reports the potential use of peel of breadnut, Artocarpus camansi, as an effective low-cost biosorbent for the removal of methylene blue (MB. Oven dried A. camansi peel (ACP, which had a point of zero charge at pH = 4.8, showed maximum biosorption capacity which was far superior to most literature reported fruit biomasses, including samples that have been activated. Isotherm studies on biosorption of MB onto ACP gave a maximum biosorption capacity of 409 mg g−1. The Langmuir model was found to give the best fit among various isotherm models investigated and error analyses performed. Kinetics studies were fast with 50% dye being removed in less than 8 min from a 50 mg L−1 dye solution and further, kinetics followed the pseudo second order. Thermodynamic studies indicated that the biosorption process was both spontaneous and exothermic. Fourier transform infrared (FT-IR of ACP before and after MB adsorption was investigated. It can be concluded that oven dried breadnut peel is a highly promising low-cost biosorbent with great potential for the removal of MB.

  2. Thermal Degradation Kinetics Modeling of Benzophenones and Xanthones during High-Temperature Oxidation of Cyclopia genistoides (L.) Vent. Plant Material.

    Science.gov (United States)

    Beelders, Theresa; de Beer, Dalene; Joubert, Elizabeth

    2015-06-10

    Degradation of the major benzophenones, iriflophenone-3-C-glucoside-4-O-glucoside and iriflophenone-3-C-glucoside, and the major xanthones, mangiferin and isomangiferin, of Cyclopia genistoides followed first-order reaction kinetics during high-temperature oxidation of the plant material at 80 and 90 °C. Iriflophenone-3-C-glucoside-4-O-glucoside was shown to be the most thermally stable compound. Isomangiferin was the second most stable compound at 80 °C, while its degradation rate constant was influenced the most by increased temperature. Mangiferin and iriflophenone-3-C-glucoside had comparable degradation rate constants at 80 °C. The thermal degradation kinetic model was subsequently evaluated by subjecting different batches of plant material to oxidative conditions (90 °C/16 h). The model accurately predicted the individual contents of three of the compounds in aqueous extracts prepared from oxidized plant material. The impact of benzophenone and xanthone degradation was reflected in the decreased total antioxidant capacity of the aqueous extracts, as determined using the oxygen radical absorbance capacity and DPPH(•) scavenging assays.

  3. Thermodynamic-state and kinetic-process dependent dual ferromagnetic states in high-Si content FeMn(PSi) alloys

    International Nuclear Information System (INIS)

    Li, Guijiang; Eriksson, Olle; Johansson, Börje; Vitos, Levente

    2015-01-01

    We have found that thermodynamic state and kinetic process co-determine the dual ferromagnetic (FM) orders in high-Si content FeMnP 1−x Si x (0.25 < x < 0.5). Alloys undergoing high temperature annealing and quenching process prefer a high magnetic moment FM state in a chemically partial disordered structure with low c/a ratio. This mechanism is suggested to be responsible for the often discussed virgin effect as well. A chemically ordered structure obtained by a slow cooling process from a relatively low annealing temperature and the increase in Si content stabilize a metastable lattice with high c/a ratio and FM order with low magnetic moment. The non-simultaneity of the magnetic and structural transitions can be responsible for the occurrence of FM state in the high c/a range. Thus, a c/a ratio that changes from high to low is physically plausible to stabilize the metastable FM order at low temperature. Our theoretical observations indicate that suitable thermodynamic state and kinetic diffusion process is crucial for optimizing magnetocaloric properties and exploring feasible magnetocaloric materials

  4. Nonlinear magnetohydrodynamics simulation using high-order finite elements

    International Nuclear Information System (INIS)

    Plimpton, Steven James; Schnack, D.D.; Tarditi, A.; Chu, M.S.; Gianakon, T.A.; Kruger, S.E.; Nebel, R.A.; Barnes, D.C.; Sovinec, C.R.; Glasser, A.H.

    2005-01-01

    A conforming representation composed of 2D finite elements and finite Fourier series is applied to 3D nonlinear non-ideal magnetohydrodynamics using a semi-implicit time-advance. The self-adjoint semi-implicit operator and variational approach to spatial discretization are synergistic and enable simulation in the extremely stiff conditions found in high temperature plasmas without sacrificing the geometric flexibility needed for modeling laboratory experiments. Growth rates for resistive tearing modes with experimentally relevant Lundquist number are computed accurately with time-steps that are large with respect to the global Alfven time and moderate spatial resolution when the finite elements have basis functions of polynomial degree (p) two or larger. An error diffusion method controls the generation of magnetic divergence error. Convergence studies show that this approach is effective for continuous basis functions with p (ge) 2, where the number of test functions for the divergence control terms is less than the number of degrees of freedom in the expansion for vector fields. Anisotropic thermal conduction at realistic ratios of parallel to perpendicular conductivity (x(parallel)/x(perpendicular)) is computed accurately with p (ge) 3 without mesh alignment. A simulation of tearing-mode evolution for a shaped toroidal tokamak equilibrium demonstrates the effectiveness of the algorithm in nonlinear conditions, and its results are used to verify the accuracy of the numerical anisotropic thermal conduction in 3D magnetic topologies.

  5. The output kinetics of piroxicam from emulsion microcapsules based on high methylated pectin and lactoglobulin of whey in experiments vitro

    International Nuclear Information System (INIS)

    Goibova, Z.V.; Bobokalonov, D.T.; Usmanova, S.R.; Teshaev, Kh.I.; Mukhidinov, Z.K.

    2015-01-01

    Present article is devoted to output kinetics of piroxicam from emulsion microcapsules based on high methylated pectin and lactoglobulin of whey in experiments vitro. The dependence of piroxicam output on time at various mole ratio was studied.

  6. Dependence of cancer cell adhesion kinetics on integrin ligand surface density measured by a high-throughput label-free resonant waveguide grating biosensor.

    Science.gov (United States)

    Orgovan, Norbert; Peter, Beatrix; Bősze, Szilvia; Ramsden, Jeremy J; Szabó, Bálint; Horvath, Robert

    2014-02-07

    A novel high-throughput label-free resonant waveguide grating (RWG) imager biosensor, the Epic® BenchTop (BT), was utilized to determine the dependence of cell spreading kinetics on the average surface density (v(RGD)) of integrin ligand RGD-motifs. v(RGD) was tuned over four orders of magnitude by co-adsorbing the biologically inactive PLL-g-PEG and the RGD-functionalized PLL-g-PEG-RGD synthetic copolymers from their mixed solutions onto the sensor surface. Using highly adherent human cervical tumor (HeLa) cells as a model system, cell adhesion kinetic data of unprecedented quality were obtained. Spreading kinetics were fitted with the logistic equation to obtain the spreading rate constant (r) and the maximum biosensor response (Δλmax), which is assumed to be directly proportional to the maximum spread contact area (Amax). r was found to be independent of the surface density of integrin ligands. In contrast, Δλmax increased with increasing RGD surface density until saturation at high densities. Interpreting the latter behavior with a simple kinetic mass action model, a 2D dissociation constant of 1753 ± 243 μm(-2) (corresponding to a 3D dissociation constant of ~30 μM) was obtained for the binding between RGD-specific integrins embedded in the cell membrane and PLL-g-PEG-RGD. All of these results were obtained completely noninvasively without using any labels.

  7. Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure

    DEFF Research Database (Denmark)

    Aranda, V.; Christensen, J. M.; Alzueta, Maria

    2013-01-01

    A detailed chemical kinetic model for oxidation of CH3OH at high pressure and intermediate temperatures has been developed and validated experimentally. Ab initio calculations and Rice–Ramsperger–Kassel–Marcus/transition state theory (RRKM/TST) analysis were used to obtain rate coefficients for CH...... the conditions studied, the onset temperature for methanol oxidation was not dependent on the stoichiometry, whereas increasing pressure shifted the ignition temperature toward lower values. Model predictions of the present experimental results, as well as rapid compression machine data from the literature, were...

  8. Water absorption and biodegradation kinetics of highly filled EOC-FS biocomposites

    Science.gov (United States)

    Zykova, A. K.; Pantyukhov, P. V.; Platov, Yu. T.; Bobojonova, G. A.; Ramos, C. Chaverri; Popov, A. A.

    2017-12-01

    The paper analyzes the water absorption and biodegradation kinetics in highly filled biocomposites based on ethylene-octene copolymer (EOC) and oil flax straw (FS). It is shown that adding the filler to EOC increases the water absorption from 0 to 22%. The tendency can be explained both by the low interfacial adhesion of EOC to FS and by the hydrophilic nature of the filler. According to biodegradation tests (10 months), the mass of pure EOC remains unchanged, suggesting that it fails to biodegrade in the environment. Increasing the filler content increases the weight loss of the composites and the degree of microbiological contamination (fungi filaments, bacteria) as evidenced by optical microscopy.

  9. Anomalous dissipation and kinetic-energy distribution in pipes at very high Reynolds numbers.

    Science.gov (United States)

    Chen, Xi; Wei, Bo-Bo; Hussain, Fazle; She, Zhen-Su

    2016-01-01

    A symmetry-based theory is developed for the description of (streamwise) kinetic energy K in turbulent pipes at extremely high Reynolds numbers (Re's). The theory assumes a mesolayer with continual deformation of wall-attached eddies which introduce an anomalous dissipation, breaking the exact balance between production and dissipation. An outer peak of K is predicted above a critical Re of 10^{4}, in good agreement with experimental data. The theory offers an alternative explanation for the recently discovered logarithmic distribution of K. The concept of anomalous dissipation is further supported by a significant modification of the k-ω equation, yielding an accurate prediction of the entire K profile.

  10. Kinetics of non-equilibrium carries in high-resistance materials

    International Nuclear Information System (INIS)

    Arkhipov, V.I.; Rudenko, A.I.

    1979-01-01

    The kinetics of equilibrium carriers of high-resistance material samples is analytically studied to investigate and control the parameters and properties of these materials. Nonequilibrium carriers were generated by electron beam in these samples near by one of the contacts. The carrier drift causes the transient current. The study of it permits to make a conclusion about carrier mobility, their capture and release times and also about zone structure of material. Both the model taking into account energy-level transitions and the model taking into account the conduction zone interaction with local energy- level are shown to have features of anomalous behaviour

  11. A high order multi-resolution solver for the Poisson equation with application to vortex methods

    DEFF Research Database (Denmark)

    Hejlesen, Mads Mølholm; Spietz, Henrik Juul; Walther, Jens Honore

    A high order method is presented for solving the Poisson equation subject to mixed free-space and periodic boundary conditions by using fast Fourier transforms (FFT). The high order convergence is achieved by deriving mollified Green’s functions from a high order regularization function which...

  12. Interfacial mixing in high-energy-density matter with a multiphysics kinetic model

    Science.gov (United States)

    Haack, Jeffrey R.; Hauck, Cory D.; Murillo, Michael S.

    2017-12-01

    We have extended a recently developed multispecies, multitemperature Bhatnagar-Gross-Krook model [Haack et al., J. Stat. Phys. 168, 822 (2017), 10.1007/s10955-017-1824-9], to include multiphysics capabilities that enable modeling of a wider range of physical conditions. In terms of geometry, we have extended from the spatially homogeneous setting to one spatial dimension. In terms of the physics, we have included an atomic ionization model, accurate collision physics across coupling regimes, self-consistent electric fields, and degeneracy in the electronic screening. We apply the model to a warm dense matter scenario in which the ablator-fuel interface of an inertial confinement fusion target is heated, but for larger length and time scales and for much higher temperatures than can be simulated using molecular dynamics. Relative to molecular dynamics, the kinetic model greatly extends the temperature regime and the spatiotemporal scales over which we are able to model. In our numerical results we observe hydrogen from the ablator material jetting into the fuel during the early stages of the implosion and compare the relative size of various diffusion components (Fickean diffusion, electrodiffusion, and barodiffusion) that drive this process. We also examine kinetic effects, such as anisotropic distributions and velocity separation, in order to determine when this problem can be described with a hydrodynamic model.

  13. Oxidation kinetics of some zirconium alloys in flowing carbon dioxide at high temperatures

    International Nuclear Information System (INIS)

    Kohli, R.

    1980-01-01

    The oxidation kinetics of three zirconium alloys (Zr-2.2 wt% Hf, Zr-2.5 wt% Nb, and Zr-3 wt% Nb-1 wt% Sn) have been measured in flowing carbon dioxide in the temperature range from 873 to 1173 K to 120 ks (2000 min). At all oxidation temperatures, Zr-2.5 Nb and Zr-3 Nb-1 Sn showed a transition to rapid linear kinetics after initial parabolic oxidation. The Zr-2.2 Hf showed this transition at temperatures in the range from 973 to 1173 K; at 873 K, no transition was observed within the oxidation times reported. The Zr-2.2 Hf showed the smallest weight gains, followed in order by Zr-2.5 Nb and Zr-3 Nb-1 Sn. Increased oxidation rates and shorter times-to-rate-transition of Zr-2.2 Nb and Zr-1 Sn as compared with Zr-2.2 Hf can be attributed to the presence of niobium, tin, and hafnium in the alloys. This is considered in terms of the Nomura-Akutsu model, according to which hafnium should delay the rate transition, while niobium and tin lead to shorter times-to-rate-transition. The scale on Zr-2.2 Hf was identified as monoclinic zirconia, while the tetragonal phase, 6ZrO 2 .Nb 2 O 5 , was contained in the monoclinic zirconia scales on both other alloys

  14. Designing 3D highly ordered nanoporous CuO electrodes for high-performance asymmetric supercapacitors.

    Science.gov (United States)

    Moosavifard, Seyyed E; El-Kady, Maher F; Rahmanifar, Mohammad S; Kaner, Richard B; Mousavi, Mir F

    2015-03-04

    The increasing demand for energy has triggered tremendous research efforts for the development of lightweight and durable energy storage devices. Herein, we report a simple, yet effective, strategy for high-performance supercapacitors by building three-dimensional pseudocapacitive CuO frameworks with highly ordered and interconnected bimodal nanopores, nanosized walls (∼4 nm) and large specific surface area of 149 m(2) g(-1). This interesting electrode structure plays a key role in providing facilitated ion transport, short ion and electron diffusion pathways and more active sites for electrochemical reactions. This electrode demonstrates excellent electrochemical performance with a specific capacitance of 431 F g(-1) (1.51 F cm(-2)) at 3.5 mA cm(-2) and retains over 70% of this capacitance when operated at an ultrafast rate of 70 mA cm(-2). When this highly ordered CuO electrode is assembled in an asymmetric cell with an activated carbon electrode, the as-fabricated device demonstrates remarkable performance with an energy density of 19.7 W h kg(-1), power density of 7 kW kg(-1), and excellent cycle life. This work presents a new platform for high-performance asymmetric supercapacitors for the next generation of portable electronics and electric vehicles.

  15. High-Intensity High-order Harmonics Generated from Low-Density Plasma

    International Nuclear Information System (INIS)

    Ozaki, T.; Bom, L. B. Elouga; Abdul-Hadi, J.; Ganeev, R. A.; Haessler, S.; Salieres, P.

    2009-01-01

    We study the generation of high-order harmonics from lowly ionized plasma, using the 10 TW, 10 Hz laser of the Advanced Laser Light Source (ALLS). We perform detailed studies on the enhancement of a single order of the high-order harmonic spectrum generated in plasma using the fundamental and second harmonic of the ALLS beam line. We observe quasi-monochromatic harmonics for various targets, including Mn, Cr, Sn, and In. We identify most of the ionic/neutral transitions responsible for the enhancement, which all have strong oscillator strengths. We demonstrate intensity enhancements of the 13th, 17th, 29th, and 33rd harmonics from these targets using the 800 nm pump laser and varying its chirp. We also characterized the attosecond nature of such plasma harmonics, measuring attosecond pulse trains with 360 as duration for chromium plasma, using the technique of ''Reconstruction of Attosecond Beating by Interference of Two-photon Transitions''(RABBIT). These results show that plasma harmonics are intense source of ultrashort coherent soft x-rays.

  16. High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis

    KAUST Repository

    Barari, Ghazal

    2017-03-10

    Diisopropyl ketone (DIPK) is a promising biofuel candidate, which is produced using endophytic fungal conversion. In this work, a high temperature detailed combustion kinetic model for DIPK was developed using the reaction class approach. DIPK ignition and pyrolysis experiments were performed using the UCF shock tube. The shock tube oxidation experiments were conducted between 1093K and 1630K for different reactant compositions, equivalence ratios (φ=0.5–2.0), and pressures (1–6atm). In addition, methane concentration time-histories were measured during 2% DIPK pyrolysis in argon using cw laser absorption near 3400nm at temperatures between 1300 and 1400K near 1atm. To the best of our knowledge, current ignition delay times (above 1050K) and methane time histories are the first such experiments performed in DIPK at high temperatures. Present data were used as validation targets for the new kinetic model and simulation results showed fair agreement compared to the experiments. The reaction rates corresponding to the main consumption pathways of DIPK were found to have high sensitivity in controlling the reactivity, so these were adjusted to attain better agreement between the simulation and experimental data. A correlation was developed based on the experimental data to predict the ignition delay times using the temperature, pressure, fuel concentration and oxygen concentration.

  17. Study of the Apparent Kinetics of Biomass Gasification Using High-Temperature Steam

    Energy Technology Data Exchange (ETDEWEB)

    Alevanau, Aliaksandr

    2010-10-15

    Among the latest achievements in gasification technology, one may list the development of a method to preheat gasification agents using switched ceramic honey combs. The best output from this technology is achieved with use of water steam as a gasification agent, which is heated up to 1600 deg C. The application of these temperatures with steam as a gasification agent provides a cleaner syngas (no nitrogen from air, cracked tars) and the ash melts into easily utilised glass-like sludge. High hydrogen content in output gas is also favourable for end-user applications.Among the other advantages of this technology is the presumable application of fixed-bed-type reactors fed by separately produced and preheated steam. This construction assumes relatively high steam flow rates to deliver the heat needed for endothermic reactions involving biomass. The biomass is to be heated uniformly and evenly in the volume of the whole reactor, providing easier and simpler control and operation in comparison to other types of reactors. To provide potential constructors and exploiters of these reactors with the kinetic data needed for the calculations of vital parameters for both reactor construction and exploitation, basic experimental research of high-temperature steam gasification of four types of industrially produced biomass has been conducted.Kinetic data have been obtained for straw and wood pellets, wood-chip charcoal and compressed charcoal of mixed origin

  18. High temperature shock tube experiments and kinetic modeling study of diisopropyl ketone ignition and pyrolysis

    KAUST Repository

    Barari, Ghazal; Pryor, Owen; Koroglu, Batikan; Sarathy, Mani; Masunov, Artë m E.; Vasu, Subith S.

    2017-01-01

    Diisopropyl ketone (DIPK) is a promising biofuel candidate, which is produced using endophytic fungal conversion. In this work, a high temperature detailed combustion kinetic model for DIPK was developed using the reaction class approach. DIPK ignition and pyrolysis experiments were performed using the UCF shock tube. The shock tube oxidation experiments were conducted between 1093K and 1630K for different reactant compositions, equivalence ratios (φ=0.5–2.0), and pressures (1–6atm). In addition, methane concentration time-histories were measured during 2% DIPK pyrolysis in argon using cw laser absorption near 3400nm at temperatures between 1300 and 1400K near 1atm. To the best of our knowledge, current ignition delay times (above 1050K) and methane time histories are the first such experiments performed in DIPK at high temperatures. Present data were used as validation targets for the new kinetic model and simulation results showed fair agreement compared to the experiments. The reaction rates corresponding to the main consumption pathways of DIPK were found to have high sensitivity in controlling the reactivity, so these were adjusted to attain better agreement between the simulation and experimental data. A correlation was developed based on the experimental data to predict the ignition delay times using the temperature, pressure, fuel concentration and oxygen concentration.

  19. Determination of High-affinity Antibody-antigen Binding Kinetics Using Four Biosensor Platforms.

    Science.gov (United States)

    Yang, Danlin; Singh, Ajit; Wu, Helen; Kroe-Barrett, Rachel

    2017-04-17

    Label-free optical biosensors are powerful tools in drug discovery for the characterization of biomolecular interactions. In this study, we describe the use of four routinely used biosensor platforms in our laboratory to evaluate the binding affinity and kinetics of ten high-affinity monoclonal antibodies (mAbs) against human proprotein convertase subtilisin kexin type 9 (PCSK9). While both Biacore T100 and ProteOn XPR36 are derived from the well-established Surface Plasmon Resonance (SPR) technology, the former has four flow cells connected by serial flow configuration, whereas the latter presents 36 reaction spots in parallel through an improvised 6 x 6 crisscross microfluidic channel configuration. The IBIS MX96 also operates based on the SPR sensor technology, with an additional imaging feature that provides detection in spatial orientation. This detection technique coupled with the Continuous Flow Microspotter (CFM) expands the throughput significantly by enabling multiplex array printing and detection of 96 reaction sports simultaneously. In contrast, the Octet RED384 is based on the BioLayer Interferometry (BLI) optical principle, with fiber-optic probes acting as the biosensor to detect interference pattern changes upon binding interactions at the tip surface. Unlike the SPR-based platforms, the BLI system does not rely on continuous flow fluidics; instead, the sensor tips collect readings while they are immersed in analyte solutions of a 384-well microplate during orbital agitation. Each of these biosensor platforms has its own advantages and disadvantages. To provide a direct comparison of these instruments' ability to provide quality kinetic data, the described protocols illustrate experiments that use the same assay format and the same high-quality reagents to characterize antibody-antigen kinetics that fit the simple 1:1 molecular interaction model.

  20. Simultaneous correction of large low-order and high-order aberrations with a new deformable mirror technology

    Science.gov (United States)

    Rooms, F.; Camet, S.; Curis, J. F.

    2010-02-01

    A new technology of deformable mirror will be presented. Based on magnetic actuators, these deformable mirrors feature record strokes (more than +/- 45μm of astigmatism and focus correction) with an optimized temporal behavior. Furthermore, the development has been made in order to have a large density of actuators within a small clear aperture (typically 52 actuators within a diameter of 9.0mm). We will present the key benefits of this technology for vision science: simultaneous correction of low and high order aberrations, AO-SLO image without artifacts due to the membrane vibration, optimized control, etc. Using recent papers published by Doble, Thibos and Miller, we show the performances that can be achieved by various configurations using statistical approach. The typical distribution of wavefront aberrations (both the low order aberration (LOA) and high order aberration (HOA)) have been computed and the correction applied by the mirror. We compare two configurations of deformable mirrors (52 and 97 actuators) and highlight the influence of the number of actuators on the fitting error, the photon noise error and the effective bandwidth of correction.

  1. High-order shock-fitted detonation propagation in high explosives

    Science.gov (United States)

    Romick, Christopher M.; Aslam, Tariq D.

    2017-03-01

    A highly accurate numerical shock and material interface fitting scheme composed of fifth-order spatial and third- or fifth-order temporal discretizations is applied to the two-dimensional reactive Euler equations in both slab and axisymmetric geometries. High rates of convergence are not typically possible with shock-capturing methods as the Taylor series analysis breaks down in the vicinity of discontinuities. Furthermore, for typical high explosive (HE) simulations, the effects of material interfaces at the charge boundary can also cause significant computational errors. Fitting a computational boundary to both the shock front and material interface (i.e. streamline) alleviates the computational errors associated with captured shocks and thus opens up the possibility of high rates of convergence for multi-dimensional shock and detonation flows. Several verification tests, including a Sedov blast wave, a Zel'dovich-von Neumann-Döring (ZND) detonation wave, and Taylor-Maccoll supersonic flow over a cone, are utilized to demonstrate high rates of convergence to nontrivial shock and reaction flows. Comparisons to previously published shock-capturing multi-dimensional detonations in a polytropic fluid with a constant adiabatic exponent (PF-CAE) are made, demonstrating significantly lower computational error for the present shock and material interface fitting method. For an error on the order of 10 m /s, which is similar to that observed in experiments, shock-fitting offers a computational savings on the order of 1000. In addition, the behavior of the detonation phase speed is examined for several slab widths to evaluate the detonation performance of PBX 9501 while utilizing the Wescott-Stewart-Davis (WSD) model, which is commonly used in HE modeling. It is found that the thickness effect curve resulting from this equation of state and reaction model using published values is dramatically more steep than observed in recent experiments. Utilizing the present fitting

  2. A high-order relaxation method with projective integration for solving nonlinear systems of hyperbolic conservation laws

    Science.gov (United States)

    Lafitte, Pauline; Melis, Ward; Samaey, Giovanni

    2017-07-01

    We present a general, high-order, fully explicit relaxation scheme which can be applied to any system of nonlinear hyperbolic conservation laws in multiple dimensions. The scheme consists of two steps. In a first (relaxation) step, the nonlinear hyperbolic conservation law is approximated by a kinetic equation with stiff BGK source term. Then, this kinetic equation is integrated in time using a projective integration method. After taking a few small (inner) steps with a simple, explicit method (such as direct forward Euler) to damp out the stiff components of the solution, the time derivative is estimated and used in an (outer) Runge-Kutta method of arbitrary order. We show that, with an appropriate choice of inner step size, the time step restriction on the outer time step is similar to the CFL condition for the hyperbolic conservation law. Moreover, the number of inner time steps is also independent of the stiffness of the BGK source term. We discuss stability and consistency, and illustrate with numerical results (linear advection, Burgers' equation and the shallow water and Euler equations) in one and two spatial dimensions.

  3. Effects of high-pressure process on kinetics of leaching oil from soybean powder using hexane in batch systems.

    Science.gov (United States)

    Uhm, Joo Tae; Yoon, Won Byong

    2011-08-01

    Mass transfer models of leaching oil from soybean (Glycine max) flour with hexane after high-pressure process (HPP) treatment were developed. High pressure (450 MPa) was applied to the soybean flour (mean diameter of flour particle: 365 μm) for 30 min before leaching the oil components in the solvent. The ratio of solvent (volume, mL) to soybean flour (mass, g), such as 1:10 and 1:20, was employed to characterize the effect of solvent ratio on the leaching rate in the batch type of extraction process. Ultraviolet absorbance at 300 nm was used to monitor the extraction rate. Saturation solubility (C(AS)) was determined to be 21.73 kg/m³. The mass transfer coefficients (k) were determined based on the 1st- and 2nd-order kinetic models. The 2nd kinetic model showed better fit. The HPP treatment showed a higher extraction rate and yield compared to the control, while the amount of solvent did not affect the extraction rate and yield. The scanning electron microscope showed that HPP-treated soybean particles included more pores than the untreated. The pores observed in the HPP-treated soybean flours might help increase the mass transfer rate of solvent and solute in the solid matrix. High-pressure processing can help increase the extraction rate of oil from the soybean flour operated in batch systems. The conventional solid to solvent ratio (1:20) used to extract oil composition from the plant seed did not help increase the amount of oil extracted from the soybean flour. © 2011 Institute of Food Technologists®

  4. Formal Solutions for Polarized Radiative Transfer. II. High-order Methods

    Energy Technology Data Exchange (ETDEWEB)

    Janett, Gioele; Steiner, Oskar; Belluzzi, Luca, E-mail: gioele.janett@irsol.ch [Istituto Ricerche Solari Locarno (IRSOL), 6605 Locarno-Monti (Switzerland)

    2017-08-20

    When integrating the radiative transfer equation for polarized light, the necessity of high-order numerical methods is well known. In fact, well-performing high-order formal solvers enable higher accuracy and the use of coarser spatial grids. Aiming to provide a clear comparison between formal solvers, this work presents different high-order numerical schemes and applies the systematic analysis proposed by Janett et al., emphasizing their advantages and drawbacks in terms of order of accuracy, stability, and computational cost.

  5. Kinetics of Enzymatic High-Solid Hydrolysis of Lignocellulosic Biomass Studied by Calorimetry

    DEFF Research Database (Denmark)

    Olsen, Søren Nymand; Rasmussen, Erik Lumby; McFarland, K.C.

    2011-01-01

    analysis of the interrelationships of enzyme load and the rate, time, and extent of the reaction. The results suggest that the hydrolysis rate of pretreated corn stover is limited initially by available attack points on the substrate surface (conversion) but becomes proportional to enzyme dosage......Enzymatic hydrolysis of high-solid biomass (>10% w/w dry mass) has become increasingly important as a key step in the production of second-generation bioethanol. To this end, development of quantitative real-time assays is desirable both for empirical optimization and for detailed kinetic analysis...... rate with a detection limit of about 500 pmol glucose s−1. Hence, calorimetry is shown to be a highly sensitive real-time method, applicable for high solids, and independent on the complexity of the substrate. Dose–response experiments with a typical cellulase cocktail enabled a multidimensional...

  6. Dynamical evolution of space debris on high-elliptical orbits near high-order resonance zones

    Science.gov (United States)

    Kuznetsov, Eduard; Zakharova, Polina

    Orbital evolution of objects on Molniya-type orbits is considered near high-order resonance zones. Initial conditions correspond to high-elliptical orbits with the critical inclination 63.4 degrees. High-order resonances are analyzed. Resonance orders are more than 5 and less than 50. Frequencies of perturbations caused by the effect of sectorial and tesseral harmonics of the Earth's gravitational potential are linear combinations of the mean motion of a satellite, angular velocities of motion of the pericenter and node of its orbit, and the angular velocity of the Earth. Frequencies of perturbations were calculated by taking into account secular perturbations from the Earth oblateness, the Moon, the Sun, and a solar radiation pressure. Resonance splitting effect leads to three sub-resonances. The study of dynamical evolution on long time intervals was performed on the basis of the results of numerical simulation. We used "A Numerical Model of the Motion of Artificial Earth's Satellites", developed by the Research Institute of Applied Mathematics and Mechanics of the Tomsk State University. The model of disturbing forces taken into account the main perturbing factors: the gravitational field of the Earth, the attraction of the Moon and the Sun, the tides in the Earth’s body, the solar radiation pressure, taking into account the shadow of the Earth, the Poynting-Robertson effect, and the atmospheric drag. Area-to-mass ratio varied from small values corresponding to satellites to big ones corresponding to space debris. The locations and sizes of resonance zones were refined from numerical simulation. The Poynting-Robertson effect results in a secular decrease in the semi-major axis of a spherically symmetrical satellite. In resonance regions the effect weakens slightly. Reliable estimates of secular perturbations of the semi-major axis were obtained from the numerical simulation. Under the Poynting-Robertson effect objects pass through the regions of high-order

  7. Kinetic boundaries and phase transformations of ice i at high pressure

    Science.gov (United States)

    Wang, Yu; Zhang, Huichao; Yang, Xue; Jiang, Shuqing; Goncharov, Alexander F.

    2018-01-01

    Raman spectroscopy in diamond anvil cells has been employed to study phase boundaries and transformation kinetics of H2O ice at high pressures up to 16 GPa and temperatures down to 15 K. Ice i formed at nearly isobaric cooling of liquid water transforms on compression to high-density amorphous (HDA) ice at 1.1-3 GPa at 15-100 K and then crystallizes in ice vii with the frozen-in disorder (ice vii') which remains stable up to 14.1 GPa at 80 K and 15.9 GPa at 100 K. Unexpectedly, on decompression of ice vii', it transforms to ice viii in its domain of metastability, and then it relaxes into low-density amorphous (LDA) ice on a subsequent pressure release and warming up. On compression of ice i at 150-170 K, ice ix is crystallized and no HDA ice is found; further compression of ice ix results in the sequential phase transitions to stable ices vi and viii. Cooling ice i to 210 K at 0.3 GPa transforms it to a stable ice ii. Our extensive investigations provide previously missing information on the phase diagram of water, especially on the kinetic paths that result in formation of phases which otherwise are not accessible; these results are keys for understanding the phase relations including the formation of metastable phases. Our observations inform on the ice modifications that can occur naturally in planetary environments and are not accessible for direct observations.

  8. A Novel Method for Decoding Any High-Order Hidden Markov Model

    Directory of Open Access Journals (Sweden)

    Fei Ye

    2014-01-01

    Full Text Available This paper proposes a novel method for decoding any high-order hidden Markov model. First, the high-order hidden Markov model is transformed into an equivalent first-order hidden Markov model by Hadar’s transformation. Next, the optimal state sequence of the equivalent first-order hidden Markov model is recognized by the existing Viterbi algorithm of the first-order hidden Markov model. Finally, the optimal state sequence of the high-order hidden Markov model is inferred from the optimal state sequence of the equivalent first-order hidden Markov model. This method provides a unified algorithm framework for decoding hidden Markov models including the first-order hidden Markov model and any high-order hidden Markov model.

  9. Understanding interface properties from high kinetic energy photoelectron spectroscopy and first principles theory

    International Nuclear Information System (INIS)

    Granroth, Sari; Olovsson, Weine; Holmstroem, Erik; Knut, Ronny; Gorgoi, Mihaela; Svensson, Svante; Karis, Olof

    2011-01-01

    Advances in instrumentation regarding 3rd generation synchrotron light sources and electron spectrometers has enabled the field of high kinetic energy photoelectron spectroscopy (HIKE) (also often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES)). Over the last years, the amount of investigations that relies on the HIKE method has increased dramatically and can arguably be said to have given a rebirth of the interest in photoelectron spectroscopy in many areas. It is in particular the much increased mean free path at higher kinetic energies in combination with the elemental selectivity of the core level spectroscopies in general that has lead to this fact, as it makes it possible to investigate the electronic structure of materials with a substantially reduced surface sensitivity. In this review we demonstrate how HIKE can be used to investigate the interface properties in multilayer systems. Relative intensities of the core level photoelectron peaks and their chemical shifts derived from binding energy changes are found to give precise information on physico-chemical properties and quality of the buried layers. Interface roughening, including kinetic properties such as the rate of alloying, and temperature effects on the processes can be analyzed quantitatively. We will also provide an outline of the theoretical framework that is used to support the interpretation of data. We provide examples from our own investigations of multilayer systems which comprises both systems of more model character and a multilayer system very close to real applications in devices that are considered to be viable alternative to the present read head technology. The experimental data presented in this review is exclusively recorded at the BESSY-II synchrotron at the Helmholtz-Zentrum Berlin fuer Materialien und Energie. This HIKE facility is placed at the bending magnet beamline KMC-1, which makes it different from several other facilities which relies on undulators as

  10. Highly ordered macroporous woody biochar with ultra-high carbon content as supercapacitor electrodes

    International Nuclear Information System (INIS)

    Jiang, Junhua; Zhang, Lei; Wang, Xinying; Holm, Nancy; Rajagopalan, Kishore; Chen, Fanglin; Ma, Shuguo

    2013-01-01

    Woody biochar monolith with ultra-high carbon content and highly ordered macropores has been prepared via one-pot pyrolysis and carbonization of red cedar wood at 750 °C without the need of post-treatment. Energy-dispersive spectroscope (EDX) and scanning electron microscope (SEM) studies show that the original biochar has a carbon content of 98 wt% with oxygen as the only detectable impurity and highly ordered macroporous texture characterized by alternating regular macroporous regions and narrow porous regions. Moreover, the hierarchically porous biochar monolith has a high BET specific surface area of approximately 400 m 2 g −1 . We have studied the monolith material as supercapacitor electrodes under acidic environment using electrochemical and surface characterization techniques. Electrochemical measurements show that the original biochar electrodes have a potential window of about 1.3 V and exhibit typical rectangular-shape voltammetric responses and fast charging–discharging behavior with a gravimetric capacitance of about 14 F g −1 . Simple activation of biochar in diluted nitric acid at room temperature leads to 7 times increase in the capacitance (115 F g −1 ). Because the HNO 3 -activation slightly decreases rather than increases the BET surface area of the biochar, an increase in the coverage of surface oxygen groups is the most likely origin of the substantial capacitance improvement. This is supported by EDX, X-ray photoelectron spectroscopy (XPS), and Raman measurements. Preliminary life-time studies show that biochar supercapacitors using the original and HNO 3 -activated electrodes are stable over 5000 cycles without performance decays. These facts indicate that the use of woody biochar is promising for its low cost and it can be a good performance electrode with low environmental impacts for supercapacitor applications

  11. The basal kinetic parameters of glycogen synthase in human myotube cultures are not affected by chronic high insulin exposure

    DEFF Research Database (Denmark)

    Gaster, M; Schrøder, H D; Handberg, A

    2001-01-01

    results show that chronic exposure of human myotubes to high insulin with or without high glucose did not affect the basal kinetic parameters but abolished the reactivity of GS to acute insulin stimulation. We suggest that insulin induced insulin resistance of GS is caused by a failure of acute insulin......There is no consensus regarding the results from in vivo and in vitro studies on the impact of chronic high insulin and/or high glucose exposure on acute insulin stimulation of glycogen synthase (GS) kinetic parameters in human skeletal muscle. The aim of this study was to evaluate the kinetic...... parameters of glycogen synthase activity in human myotube cultures at conditions of chronic high insulin combined or not with high glucose exposure, before and after a subsequent acute insulin stimulation. Acute insulin stimulation significantly increased the fractional activity (FV(0.1)) of GS, increased...

  12. Convergency analysis of the high-order mimetic finite difference method

    Energy Technology Data Exchange (ETDEWEB)

    Lipnikov, Konstantin [Los Alamos National Laboratory; Veiga Da Beirao, L [UNIV DEGLI STUDI; Manzini, G [NON LANL

    2008-01-01

    We prove second-order convergence of the conservative variable and its flux in the high-order MFD method. The convergence results are proved for unstructured polyhedral meshes and full tensor diffusion coefficients. For the case of non-constant coefficients, we also develop a new family of high-order MFD methods. Theoretical result are confirmed through numerical experiments.

  13. Mechanisms and Kinetics of Organic Aging in High-Level Nuclear Wastes

    International Nuclear Information System (INIS)

    Camaioni, Donald M.; Autrey, S. Thomas; Linehan, John L.

    1999-01-01

    The goal of this project is to develop a fundamental understanding of organic aging and to assemble a model that describes and predicts the thermal and radiolytic aging of organic compounds in high-level wastes (HLW). To reach this goal, we will measure kinetics and elucidate products and mechanisms of organic reactions occurring under conditions of waste storage, retrieval, and processing. Initial emphasis will be placed on studying thermal effects, because organic reaction mechanisms and effects of varying conditions are uncertain, and because we benefit from collaborations with earlier Environmental Management Science Program (EMSP) projects that have worked on radiation effects. Organic complexants are of greatest concern regarding both safety and pretreatment because they have been found to degrade to gases, combust in dry wastes, and interfere with radionuclide separations. Therefore, efforts will focus on studying the reactions of these organic chemicals and associated degradation products. In preliminary work, the authors have used mechanistic kinetic modeling techniques to successfully model the radiolytic degradation of formate to carbonate in HLW simulants. The research will continue development of the model using an iterative process that measures degradation products and kinetics of increasingly complex molecules while adapting the model to reproduce the results each step of the way. Several mechanistic probe experiments have been designed to learn the fundamental mechanisms that operate during thermal degradations so that thermal and radiolytic processes may be integrated within the model. Key kinetic data and thermodynamic properties relating to thermal reactivity will also be acquired so that rate-controlling and product-forming reactions can be predicted. Thermochemical properties of key intermediates will be experimentally and/or theoretically determined to facilitate mechanism verification, structure/reactivity correlation, and prediction of

  14. DARKNESS: A Microwave Kinetic Inductance Detector Integral Field Spectrograph for High-contrast Astronomy

    Science.gov (United States)

    Meeker, Seth R.; Mazin, Benjamin A.; Walter, Alex B.; Strader, Paschal; Fruitwala, Neelay; Bockstiegel, Clint; Szypryt, Paul; Ulbricht, Gerhard; Coiffard, Grégoire; Bumble, Bruce; Cancelo, Gustavo; Zmuda, Ted; Treptow, Ken; Wilcer, Neal; Collura, Giulia; Dodkins, Rupert; Lipartito, Isabel; Zobrist, Nicholas; Bottom, Michael; Shelton, J. Chris; Mawet, Dimitri; van Eyken, Julian C.; Vasisht, Gautam; Serabyn, Eugene

    2018-06-01

    We present DARKNESS (the DARK-speckle Near-infrared Energy-resolving Superconducting Spectrophotometer), the first of several planned integral field spectrographs to use optical/near-infrared Microwave Kinetic Inductance Detectors (MKIDs) for high-contrast imaging. The photon counting and simultaneous low-resolution spectroscopy provided by MKIDs will enable real-time speckle control techniques and post-processing speckle suppression at frame rates capable of resolving the atmospheric speckles that currently limit high-contrast imaging from the ground. DARKNESS is now operational behind the PALM-3000 extreme adaptive optics system and the Stellar Double Coronagraph at Palomar Observatory. Here, we describe the motivation, design, and characterization of the instrument, early on-sky results, and future prospects.

  15. Kinetic Hydration Heat Modeling for High-Performance Concrete Containing Limestone Powder

    Directory of Open Access Journals (Sweden)

    Xiao-Yong Wang

    2017-01-01

    Full Text Available Limestone powder is increasingly used in producing high-performance concrete in the modern concrete industry. Limestone powder blended concrete has many advantages, such as increasing the early-age strength, reducing the setting time, improving the workability, and reducing the heat of hydration. This study presents a kinetic model for modeling the hydration heat of limestone blended concrete. First, an improved hydration model is proposed which considers the dilution effect and nucleation effect due to limestone powder addition. A degree of hydration is calculated using this improved hydration model. Second, hydration heat is calculated using the degree of hydration. The effects of water to binder ratio and limestone replacement ratio on hydration heat are clarified. Third, the temperature history and temperature distribution of hardening limestone blended concrete are calculated by combining hydration model with finite element method. The analysis results generally agree with experimental results of high-performance concrete with various mixing proportions.

  16. Experimental and kinetic modeling study of C2H4 oxidation at high pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, Maria

    2009-01-01

    of conditions (0.003-100 bar, 200-3000 K). The results indicate that at 60 bar and medium temperatures vinyl peroxide, rather than CH2O and HCO, is the dominant product. The experiments, involving C2H4/O-2 mixtures diluted in N-2, were carried out in a high pressure flow reactor at 600-900 K and 60 bar, varying......A detailed chemical kinetic model for oxidation of C2H4 in the intermediate temperature range and high pressure has been developed and validated experimentally. New ab initio calculations and RRKM analysis of the important C2H3 + O-2 reaction was used to obtain rate coefficients over a wide range...

  17. Fabrication of highly ordered polyaniline nanocone on pristine graphene for high-performance supercapacitor electrodes

    Science.gov (United States)

    Song, Ningning; Wang, Wucong; Wu, Yue; Xiao, Ding; Zhao, Yaping

    2018-04-01

    The hybrids of pristine graphene with polyaniline were synthesized by in situ polymerizations for making a high-performance supercapacitor. The formed high-ordered PANI nanocones were vertically aligned on the graphene sheets. The length of the PANI nanocones increased with the concentration of aniline monomer. The specific capacitance of the hybrids electrode in the three-electrode system was measured as high as 481 F/g at a current density of 0.1 A/g, and its stability remained 87% after constant charge-discharge 10000 cycles at a current density of 1 A/g. This outstanding performance is attributed to the coupling effects of the pristine graphene and the hierarchical structure of the PANI possessing high specific surface area. The unique structure of the PANI provided more charge transmission pathways and fast charge-transfer speed of electrons to the pristine graphene because of its large specific area exposed to the electrolyte. The hybrid is expected to have potential applications in supercapacitor electrodes.

  18. Extending the Riemann-Solver-Free High-Order Space-Time Discontinuous Galerkin Cell Vertex Scheme (DG-CVS) to Solve Compressible Magnetohydrodynamics Equations

    Science.gov (United States)

    2016-06-08

    Ideal Magnetohydrodynamics,” J. Com- put. Phys., Vol. 153, No. 2, 1999, pp. 334–352. [14] Tang, H.-Z. and Xu, K., “A high-order gas -kinetic method for...notwithstanding any other provision of law , no person shall be subject to any penalty for failing to comply with a collection of information if it does...Riemann-solver-free spacetime discontinuous Galerkin method for general conservation laws to solve compressible magnetohydrodynamics (MHD) equations. The

  19. Disposition of smoked cannabis with high Δ9-tetrahydrocannabinol content: A kinetic model

    International Nuclear Information System (INIS)

    Hunault, Claudine C.; Eijkeren, Jan C.H. van; Mensinga, Tjeert T.; Vries, Irma de; Leenders, Marianne E.C.; Meulenbelt, Jan

    2010-01-01

    Introduction: No model exists to describe the disposition and kinetics of inhaled cannabis containing a high THC dose. We aimed to develop a kinetic model providing estimates of the THC serum concentrations after smoking cannabis cigarettes containing high THC doses (up to 69 mg THC). Methods: Twenty-four male non-daily cannabis users smoked cannabis cigarettes containing 29.3 mg, 49.1 mg, and 69.4 mg THC. Blood samples were collected over a period of 0-8 h and serum THC concentrations were measured. A two-compartment open model was fitted on the individual observed data. Results: Large inter-individual variability was observed in the pharmacokinetic parameters. The median pharmacokinetic parameters generated by the model were C max = 175 ng/mL, T max = 14 min, and AUC 0-8h = 8150 ng x min/mL for the 69.4 mg THC dose. Median model results show an almost linear dose response relation for C max /Dose = 2.8 x 10 -6 /mL and AUC 0-8h /Dose = 136 x 10 -6 min/mL. However, for increasing dose level, there was a clear decreasing trend: C max /Dose = 3.4, 2.6 and 2.5 x 10 -6 /mL and AUC 0-8h /Dose = 157, 133 and 117 x 10 -6 min/mL for the 29.3, 49.1 and 69.4 mg dose, respectively. Within the restriction of 8 h of observation, the apparent terminal half life of THC was 150 min. Conclusion: The model offers insight into the pharmacokinetics of THC in recreational cannabis users smoking cannabis containing high doses of THC mixed with tobacco. The model is an objective method for providing serum THC concentrations up to 8 h after smoking cannabis with a high THC content (up to 23%).

  20. Computational Thermodynamics and Kinetics-Based ICME Framework for High-Temperature Shape Memory Alloys

    Science.gov (United States)

    Arróyave, Raymundo; Talapatra, Anjana; Johnson, Luke; Singh, Navdeep; Ma, Ji; Karaman, Ibrahim

    2015-11-01

    Over the last decade, considerable interest in the development of High-Temperature Shape Memory Alloys (HTSMAs) for solid-state actuation has increased dramatically as key applications in the aerospace and automotive industry demand actuation temperatures well above those of conventional SMAs. Most of the research to date has focused on establishing the (forward) connections between chemistry, processing, (micro)structure, properties, and performance. Much less work has been dedicated to the development of frameworks capable of addressing the inverse problem of establishing necessary chemistry and processing schedules to achieve specific performance goals. Integrated Computational Materials Engineering (ICME) has emerged as a powerful framework to address this problem, although it has yet to be applied to the development of HTSMAs. In this paper, the contributions of computational thermodynamics and kinetics to ICME of HTSMAs are described. Some representative examples of the use of computational thermodynamics and kinetics to understand the phase stability and microstructural evolution in HTSMAs are discussed. Some very recent efforts at combining both to assist in the design of HTSMAs and limitations to the full implementation of ICME frameworks for HTSMA development are presented.

  1. Thermodynamic and Kinetic Response of Microbial Reactions to High CO2.

    Science.gov (United States)

    Jin, Qusheng; Kirk, Matthew F

    2016-01-01

    Geological carbon sequestration captures CO 2 from industrial sources and stores the CO 2 in subsurface reservoirs, a viable strategy for mitigating global climate change. In assessing the environmental impact of the strategy, a key question is how microbial reactions respond to the elevated CO 2 concentration. This study uses biogeochemical modeling to explore the influence of CO 2 on the thermodynamics and kinetics of common microbial reactions in subsurface environments, including syntrophic oxidation, iron reduction, sulfate reduction, and methanogenesis. The results show that increasing CO 2 levels decreases groundwater pH and modulates chemical speciation of weak acids in groundwater, which in turn affect microbial reactions in different ways and to different extents. Specifically, a thermodynamic analysis shows that increasing CO 2 partial pressure lowers the energy available from syntrophic oxidation and acetoclastic methanogenesis, but raises the available energy of microbial iron reduction, hydrogenotrophic sulfate reduction and methanogenesis. Kinetic modeling suggests that high CO 2 has the potential of inhibiting microbial sulfate reduction while promoting iron reduction. These results are consistent with the observations of previous laboratory and field studies, and highlight the complexity in microbiological responses to elevated CO 2 abundance, and the potential power of biogeochemical modeling in evaluating and quantifying these responses.

  2. Study on the kinetics of high-energy phosphates in myocardium by phosphorous nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kusuoka, Hideo; Tsuneoka, Yutaka; Inoue, Michitoshi; Abe, Hiroshi [Osaka Univ. (Japan). Faculty of Medicine; Watari, Hiroshi

    1982-12-01

    Effect of artificial blood, FC 43 (Perfluorochemicals) on the kinetics of high-energy phosphate in the myocardium was evaluated by /sup 31/P-NMR which permits a continuous and non-invasive assessment of in vivo phosphorus compounds. Cardiac perfusion was carried out on a excised rat heart with a Krebs-Henseleit modified solution and FC 43 alternately. Under the normal condition, ischemic condition, and at second perfusion amounts of intramyocardial creatine phosphoric acid, ATP, and inorganic phosphorus were determined by /sup 31/P-NMR. Coronary flow was simultaneously estimated. The ischemic state due to interruption of perfusion resulted in a decrease in creatine phosphoric acid, which was associated with an increase in inorganic phosphorus and intracellular acidosis. No change of ATP amount was observed under ischemic state. With resumption of perfusion, the levels of creatine phosphoric acid and inorganic phosphorus rapidly returned to the normal. In the group of FC 43, coronary flow was 2.68 ml/min/g of the heart weight, about 1/2 of that of the Krebs-Henseleit group (5.68 ml/min/g of the heart weight). In controls, there was no difference between the two groups concerning creatine phosphoric acid level and recovery of creatine phospohric acid level after ischemia. These results showed that FC 43 supplies sufficient oxygen, and has no effect on the kinetics of energy in the myocardium.

  3. Thermodynamic and kinetic response of microbial reactions to high CO2

    Directory of Open Access Journals (Sweden)

    Qusheng Jin

    2016-11-01

    Full Text Available Geological carbon sequestration captures CO2 from industrial sources and stores the CO2 in subsurface reservoirs, a viable strategy for mitigating global climate change. In assessing the environmental impact of the strategy, a key question is how microbial reactions respond to the elevated CO2 concentration. This study uses biogeochemical modeling to explore the influence of CO2 on the thermodynamics and kinetics of common microbial reactions in subsurface environments, including syntrophic oxidation, iron reduction, sulfate reduction, and methanogenesis. The results show that increasing CO2 levels decreases groundwater pH and modulates chemical speciation of weak acids in groundwater, which in turn affect microbial reactions in different ways and to different extents. Specifically, a thermodynamic analysis shows that increasing CO2 partial pressure lowers the energy available from syntrophic oxidation and acetoclastic methanogenesis, but raises the available energy of microbial iron reduction, hydrogenotrophic sulfate reduction and methanogenesis. Kinetic modeling suggests that high CO2 has the potential of inhibiting microbial sulfate reduction while promoting iron reduction. These results are consistent with the observations of previous laboratory and field studies, and highlight the complexity in microbiological responses to elevated CO2 abundance, and the potential power of biogeochemical modeling in evaluating and quantifying these responses.

  4. High-efficiency toroidal current drive using low-phase-velocity kinetic Alfven waves

    International Nuclear Information System (INIS)

    Puri, S.

    1991-09-01

    A method for obtaining efficient current drive in Tokamaks using low-phase-velocity (v ρ = ω/K parallel ∝ 0.1v te ) kinetic Alfen wave is proposed. The wave momentum, imparted primarily to the trapped electrons by Landau damping, is stored as the canonical angular momentum via the Ware pinch. In steady state, collisions restore the pinched electrons to their original phase-space configuration, in the process releasing the stored canonical angular momentum to the background ions and electrons in proportion to the respective collision frequencies. Despite the loss of a part of the original impulse to the plasma ions, well over half the wave momentum is ultimately delivered to the bulk-plasma electrons, resulting in an efficient current drive. A normalized current-drive efficiency γ = R 0 20 > I/P ∝ 2 would be feasible using the subthermal kinetic-Alfen-wave current drive in a Tokamak of reactor parameters. Optimum antenna loading conditions are described. The problem of accessibility is discussed. In an elongated, high-β plasma with a density dependence n e ∝ (1-ρ 2 ) Χn , accessibility is restricted to ρ > or approx. 3/(4A Χn ), where A is the aspect ratio. For current drive at still lower values of ρ, operation in conjunction with fast-wave current drive is suggested. (orig.)

  5. A Reduced-Order Controller Considering High-Order Modal Information of High-Rise Buildings for AMD Control System with Time-Delay

    Directory of Open Access Journals (Sweden)

    Zuo-Hua Li

    2017-01-01

    Full Text Available Time-delays of control force calculation, data acquisition, and actuator response will degrade the performance of Active Mass Damper (AMD control systems. To reduce the influence, model reduction method is used to deal with the original controlled structure. However, during the procedure, the related hierarchy information of small eigenvalues will be directly discorded. As a result, the reduced-order model ignores the information of high-order mode, which will reduce the design accuracy of an AMD control system. In this paper, a new reduced-order controller based on the improved Balanced Truncation (BT method is designed to reduce the calculation time and to retain the abandoned high-order modal information. It includes high-order natural frequency, damping ratio, and vibration modal information of the original structure. Then, a control gain design method based on Guaranteed Cost Control (GCC algorithm is presented to eliminate the adverse effects of data acquisition and actuator response time-delays in the design process of the reduced-order controller. To verify its effectiveness, the proposed methodology is applied to a numerical example of a ten-storey frame and an experiment of a single-span four-storey steel frame. Both numerical and experimental results demonstrate that the reduced-order controller with GCC algorithm has an excellent control effect; meanwhile it can compensate time-delays effectively.

  6. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  7. Thermal Analysis and Degradation Kinetics of Dextran and Highly Substituted Dextran Acetates

    International Nuclear Information System (INIS)

    Amin, M.; Hussain, M. A.; Shahwar, D.; Hussain, M.

    2015-01-01

    Dextran acetates were synthesized to study their thermal behavior in comparison with pure dextran. The results have indicated that dextran is significantly stabilized after acetylation. Dextran acetates are thermally 65-74 degree C more stable as compared to pure dextran in terms of maximum decomposition temperature (Td/sub m/). Likewise, degradation of dextran acetates also starts and ends later than dextran as shown by relatively higher initial (Td/sub i/) 3-33 degree C and final decomposition temperature (Td/sub f/) 55-69 degree C. The dextran acetates can be arranged in increasing order of thermal stability: dextran acetate DS 2.91 < dextran DS 2.98 < dextran acetate DS 3. The activation energy (Ea) of dextran and dextran acetates was calculated with the help of Friedman, Broido and Chang kinetic models while order of reaction (n) was calculated from thermal data using Chang and Kissinger models. Several other important parameters were also calculated including frequency factor (Z), enthalpy (delta H), Gibbs free energy (delta G) and entropy (delta S). The integral procedural decomposition temperature (IPDT) and comprehensive index of intrinsic thermal stability (ITS) was also drawn from TG curves using Doyle's method. The dependence of IPDT, ITS and Ea on DS of the acetylation of dextran is also discussed. (author)

  8. Kinetics of highly vibrationally excited O2(X) molecules in inductively-coupled oxygen plasmas

    Science.gov (United States)

    Annušová, Adriana; Marinov, Daniil; Booth, Jean-Paul; Sirse, Nishant; Lino da Silva, Mário; Lopez, Bruno; Guerra, Vasco

    2018-04-01

    The high degree of vibrational excitation of O2 ground state molecules recently observed in inductively coupled plasma discharges is investigated experimentally in more detail and interpreted using a detailed self-consistent 0D global kinetic model for oxygen plasmas. Additional experimental results are presented and used to validate the model. The vibrational kinetics considers vibrational levels up to v = 41 and accounts for electron impact excitation and de-excitation (e-V), vibration-to-translation relaxation (V-T) in collisions with O2 molecules and O atoms, vibration-to-vibration energy exchanges (V-V), excitation of electronically excited states, dissociative electron attachment, and electron impact dissociation. Measurements were performed at pressures of 10–80 mTorr (1.33 and 10.67 Pa) and radio frequency (13.56 MHz) powers up to 500 W. The simulation results are compared with the absolute densities in each O2 vibrational level obtained by high sensitivity absorption spectroscopy measurements of the Schumann–Runge bands for O2(X, v = 4–18), O(3 P) atom density measurements by two-photon absorption laser induced fluorescence (TALIF) calibrated against Xe, and laser photodetachment measurements of the O‑ negative ions. The highly excited O2(X, v) distribution exhibits a shape similar to a Treanor-Gordiets distribution, but its origin lies in electron impact e-V collisions and not in V-V up-pumping, in contrast to what happens in all other molecular gases known to date. The relaxation of vibrational quanta is mainly due to V-T energy-transfer collisions with O atoms and to electron impact dissociation of vibrationally excited molecules, e+O2(X, v)→O(3P)+O(3P).

  9. Monod kinetics rather than a first-order degradation model explains atrazine fate in soil mini-columns: Implications for pesticide fate modelling

    International Nuclear Information System (INIS)

    Cheyns, K.; Mertens, J.; Diels, J.; Smolders, E.; Springael, D.

    2010-01-01

    Pesticide transport models commonly assume first-order pesticide degradation kinetics for describing reactive transport in soil. This assumption was assessed in mini-column studies with associated batch degradation tests. Soil mini-columns were irrigated with atrazine in two intermittent steps of about 30 days separated by 161 days application of artificial rain water. Atrazine concentration in the effluent peaked to that of the influent concentration after initial break-through but sharply decreased while influx was sustained, suggesting a degradation lag phase. The same pattern was displayed in the second step but peak height and percentage of atrazine recovered in the effluent were lower. A Monod model with biomass decay was successfully calibrated to this data. The model was successfully evaluated against batch degradation data and mini-column experiments at lower flow rate. The study suggested that first-order degradation models may underestimate risk of pesticide leaching if the pesticide degradation potential needs amplification during degradation. - Population dynamics of pesticide degrading population should be taken into account when predictions of pesticide fate are made to avoid underestimation of pesticide break-through towards groundwater.

  10. Analisis Kemampuan Siswa dalam Menyelesaikan Soal High Order Thinking Ditinjau dari Kemampuan Awal Matematis Siswa

    OpenAIRE

    Gais, Zakkina; Afriansyah, Ekasatya Aldila

    2017-01-01

    This research aims to know the effect of prior mathematical students ability to solve on high order thinking questions looked by analysis question, evaluation question, creating question and genera question.This research also aims to know about students ability in solving high order thinking question and to know about the factors that cause students to be wrong in solving high order thinking questions. The research method that used is mixed method with embedded concurrent type. From the resu...

  11. Practical aspects of spherical near-field antenna measurements using a high-order probe

    DEFF Research Database (Denmark)

    Laitinen, Tommi; Pivnenko, Sergey; Nielsen, Jeppe Majlund

    2006-01-01

    Two practical aspects related to accurate antenna pattern characterization by probe-corrected spherical near-field antenna measurements with a high-order probe are examined. First, the requirements set by an arbitrary high-order probe on the scanning technique are pointed out. Secondly, a channel...... balance calibration procedure for a high-order dual-port probe with non-identical ports is presented, and the requirements set by this procedure for the probe are discussed....

  12. Turbulent Flame Speeds and NOx Kinetics of HHC Fuels with Contaminants and High Dilution Levels

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Eric; Krejci, Michael; Mathieu, Olivier; Vissotski, Andrew; Ravi, Sankar; Sikes, Travis; Levacque, Anthony; Aul, Christopher; Peterson, Eric

    2011-09-30

    This progress report documents the first year of the project, from October 1, 2010 through September 30, 2011. Laminar flame speeds and ignition delay times have been measured for hydrogen and various compositions of H2/CO (syngas) at elevated pressures and elevated temperatures. Two constant-volume cylindrical vessels were used to visualize the spherical growth of the flame through the use of a schlieren optical setup to measure the laminar flame speed of the mixture. Hydrogen experiments were performed at initial pressures up to 10 atm and initial temperatures up to 443 K. A syngas composition of 50/50 was chosen to demonstrate the effect of carbon monoxide on H2-O2 chemical kinetics at standard temperature and pressures up to 10 atm. All atmospheric mixtures were diluted with standard air, while all elevated-pressure experiments were diluted with a He:O2 of 7:1 to minimize hydrodynamic instabilities. The laminar flame speed measurements of hydrogen and syngas are compared to available literature data over a wide range of equivalence ratios where good agreement can be seen with several data sets. Additionally, an improved chemical kinetics model is shown for all conditions within the current study. The model and the data presented herein agree well, which demonstrates the continual, improved accuracy of the chemical kinetics model. A high-pressure shock tube was used to measure ignition delay times for several baseline compositions of syngas at three pressures across a wide range of temperatures. The compositions of syngas (H2/CO) presented in this study include 80/20, 50/50, 40/60, 20/80, and 10/90, all of which are compared to previously published ignition delay times from a hydrogen-oxygen mixture to demonstrate the effect of carbon monoxide addition. Generally, an increase in carbon monoxide increases the ignition delay time, but there does seem to be a pressure dependency. At low temperatures and

  13. The kinetics and mechanism of bainite transformation in high strength steels

    International Nuclear Information System (INIS)

    Ali, A.; Bhadeshia, H.K.D.H.

    1993-01-01

    The kinetics and mechanism of bainite formation have been studied in high strength Fe-C-Si-Mn and Fe-C-Si-Ni steels using dilatometry, optical and transmission electron microscopy. In these silicon containing steels, carbide precipitation dies not accompany the growth of bainitic ferrite so that the mechanism of transformation can be readily interpreted. The work confirms that the volume fraction of bainite when the reaction stops, is far less that expected from equilibrium or para equilibrium considerations. In addition the bainite exhibits an invariant plane strain surface relief effect with a large shear component, and adopts a sheaf morphology. The results are demonstrated to be consistent with a displacive diffusion less transformation mechanism of bainite, in which the excess carbon is, subsequent to transformation, rejected into the residual austenite. (author)

  14. Investigation of Kinetic Hydrate Inhibition Using a High Pressure Micro Differential Scanning Calorimeter

    DEFF Research Database (Denmark)

    Daraboina, Nagu; Malmos, Christine; von Solms, Nicolas

    2013-01-01

    of hydrate growth. Additionally, hydrate formed in the presence of inhibitor decomposed at higher temperatures compared to pure water, indicating that while hydrate formation is initially inhibited; once hydrates form, they are more stable in the presence of inhibitor. Overall, this method proved a viable......Methane hydrate formation and decomposition were investigated in the presence of the kinetic inhibitor (Luvicap EG) and synergist (polyethylene oxide; PEO) using a high pressure micro-differential scanning calorimeter (HP-μDSC) with both temperature ramping and isothermal temperature programs....... These investigations were performed using small samples in four different capillary tubes in the calorimeter cell. When the isothermal method was employed, it was found that Luvicap EG significantly delays the hydrate nucleation time as compared to water. The results obtained from the ramping method demonstrated...

  15. Kinetics of microstructure formation of high-pressure induced gel from a whey protein isolate

    Science.gov (United States)

    He, Jin-Song; Yang, Hongwei; Zhu, Wanpeng; Mu, Tai-Hua

    2010-03-01

    The kinetic process of pressure-induced gelation of whey protein isolate (WPI) solutions was studied using in situ light scattering. The relationship of the logarithm of scattered light intensity (I) versus time (t) was linear after the induced time and could be described by the Cahn-Hilliard linear theory. With increasing time, the scattered intensity deviated from the exponential relationship, and the time evolution of the scattered light intensity maximum Im and the corresponding wavenumber qm could be described in terms of the power-law relationship as Im~fβ and qm~f-α, respectively. These results indicated that phase separation occurred during the gelation of WPI solutions under high pressure.

  16. Kinetics of microstructure formation of high-pressure induced gel from a whey protein isolate

    International Nuclear Information System (INIS)

    He Jinsong; Yang Hongwei; Zhu Wanpeng; Mu Taihua

    2010-01-01

    The kinetic process of pressure-induced gelation of whey protein isolate (WPI) solutions was studied using in situ light scattering. The relationship of the logarithm of scattered light intensity (I) versus time (t) was linear after the induced time and could be described by the Cahn-Hilliard linear theory. With increasing time, the scattered intensity deviated from the exponential relationship, and the time evolution of the scattered light intensity maximum I m and the corresponding wavenumber q m could be described in terms of the power-law relationship as I m ∼f β and q m ∼f -α , respectively. These results indicated that phase separation occurred during the gelation of WPI solutions under high pressure.

  17. Kinetics of microstructure formation of high-pressure induced gel from a whey protein isolate

    Energy Technology Data Exchange (ETDEWEB)

    He Jinsong; Yang Hongwei; Zhu Wanpeng [Department of Environmental Science and Engineering, Tsinghua University, Beijing 100084 (China); Mu Taihua, E-mail: mutaihuacaas@126.co [Institute of Agro-Food Science and Technology, Chinese Academy of Agricultural Sciences, Beijing 100094 (China)

    2010-03-01

    The kinetic process of pressure-induced gelation of whey protein isolate (WPI) solutions was studied using in situ light scattering. The relationship of the logarithm of scattered light intensity (I) versus time (t) was linear after the induced time and could be described by the Cahn-Hilliard linear theory. With increasing time, the scattered intensity deviated from the exponential relationship, and the time evolution of the scattered light intensity maximum I{sub m} and the corresponding wavenumber q{sub m} could be described in terms of the power-law relationship as I{sub m}{approx}f{sup {beta}} and q{sub m}{approx}f{sup -}{alpha}, respectively. These results indicated that phase separation occurred during the gelation of WPI solutions under high pressure.

  18. Kinetics of the process of formation and high-temperature oxidation of electrospark coatings on steel

    International Nuclear Information System (INIS)

    Verkhoturov, A.D.; Chiplik, V.N.; Egorov, F.F.; Lavrenko, V.A.; Podchernyaeva, I.A.; Shemet, V.Z.

    1986-01-01

    This work is a study of the kinetics of formation and of the heat resistance of electrospark coatings based on the composite TiB 2 -Mo with varying molybdenum content. In the process of electrospark alloying they measured the specific erosion of the anode and the increase in weight of the cathode with an accuracy not worse than 5%. Electrospark coatings of TiB 2 -Mo on steel 45 are marked by improved scaling resistance at temperatures above 900 C. Their scaling resistance and also the effectiveness of the process of electrospark alloying increase with increasing content of the phase B-MoB in the coating because molybdenum borate forms during its high-temperature oxidation. Illustrations and table are included

  19. A combined high-temperature experimental and theoretical kinetic study of the reaction of dimethyl carbonate with OH radicals

    KAUST Repository

    Khaled, Fathi

    2017-02-08

    The reaction kinetics of dimethyl carbonate (DMC) and OH radicals were investigated behind reflected shock waves over the temperature range of 872-1295 K and at pressures near 1.5 atm. Reaction progress was monitored by detecting OH radicals at 306.69 nm using a UV laser absorption technique. The rate coefficients for the reaction of DMC with OH radicals were extracted using a detailed kinetic model developed by Glaude et al. (Proc. Combust. Inst. 2005, 30(1), 1111-1118). The experimental rate coefficients can be expressed in Arrhenius form as: kexpt\\'l = 5.15 × 10(13) exp(-2710.2/T) cm(3) mol(-1) s(-1). To explore the detailed chemistry of the DMC + OH reaction system, theoretical kinetic analyses were performed using high-level ab initio and master equation/Rice-Ramsperger-Kassel-Marcus (ME/RRKM) calculations. Geometry optimization and frequency calculations were carried out at the second-order Møller-Plesset (MP2) perturbation level of theory using Dunning\\'s augmented correlation consistent-polarized valence double-ζ basis set (aug-cc-pVDZ). The energy was extrapolated to the complete basis set using single point calculations performed at the CCSD(T)/cc-pVXZ (where X = D, T) level of theory. For comparison purposes, additional ab initio calculations were also carried out using composite methods such as CBS-QB3, CBS-APNO, G3 and G4. Our calculations revealed that the H-abstraction reaction of DMC by OH radicals proceeds via an addition elimination mechanism in an overall exothermic process, eventually forming dimethyl carbonate radicals and H2O. Theoretical rate coefficients were found to be in excellent agreement with those determined experimentally. Rate coefficients for the DMC + OH reaction were combined with literature rate coefficients of four straight chain methyl ester + OH reactions to extract site-specific rates of H-abstraction from methyl esters by OH radicals.

  20. Fusion neutron irradiation induced ordering and defect production in Cu3Au at high temperatures

    International Nuclear Information System (INIS)

    Huang, J.S.; Guinan, M.W.; Kirk, M.A.; Hahn, P.A.

    1987-08-01

    We irradiate three Cu 3 Au alloys different degrees of initial long-range order at temperatures between 300K and 434K. The resistivity of samples is monitored during irradiation and related to the long-term order parameter by the Muto relation. The results show that the ordering rate, which is proportional to the concentration of freely migrating vacancies, increases at the beginning and then decreases later with fluence. The decrease is a result of the continuous production of sinks in the form of dislocation loops. The effect of sinks on vacancy annihilation in some cases causes a reversed temperature dependence of ordering rate. The free vacancy production rate and the rate of sink production are determined using an ordering kinetics theory. The results of the 14 MeV neutron irradiations are compared to those obtained in other neutron spectra and particle irradiations. The estimated free vacancy production rate is also compared to the primary defect production rate measured at 4.2K in disordered samples

  1. High-Fidelity Kinetics and Radiation Transport for NLTE Hypersonic Flows, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — The modeling of NLTE hypersonic flows combines several disciplines: chemistry, kinetics, radiation transport, fluid mechanics, and surface science. No single code or...

  2. Iron oxide nanoparticle-based magnetic resonance method to monitor release kinetics from polymeric particles with high resolution.

    Science.gov (United States)

    Chan, Minnie; Schopf, Eric; Sankaranarayanan, Jagadis; Almutairi, Adah

    2012-09-18

    A new method to precisely monitor rapid release kinetics from polymeric particles using super paramagnetic iron oxide nanoparticles, specifically by measuring spin-spin relaxation time (T(2)), is reported. Previously, we have published the formulation of logic gate particles from an acid-sensitive poly-β-aminoester ketal-2 polymer. Here, a series of poly-β-aminoester ketal-2 polymers with varying hydrophobicities were synthesized and used to formulate particles. We attempted to measure fluorescence of released Nile red to determine whether the structural adjustments could finely tune the release kinetics in the range of minutes to hours; however, this standard technique did not differentiate each release rate of our series. Thus, a new method based on encapsulation of iron oxide nanoparticles was developed, which enabled us to resolve the release kinetics of our particles. Moreover, the kinetics matched the relative hydrophobicity order determined by octanol-water partition coefficients. To the best of our knowledge, this method provides the highest resolution of release kinetics to date.

  3. Fructose decomposition kinetics in organic acids-enriched high temperature liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yinghua; Lu, Xiuyang; Yuan, Lei; Liu, Xin [Department of Chemical and Biochemical Engineering, Zhejiang University, Zheda Road 38, Hangzhou 310027, Zhejiang (China)

    2009-09-15

    Biomass continues to be an important candidate as a renewable resource for energy, chemicals, and feedstock. Decomposition of biomass in high temperature liquid water is a promising technique for producing industrially important chemicals such as 5-hydroxymethylfurfural (5-HMF), furfural, levulinic acid with high efficiency. Hexose, which is the hydrolysis product of cellulose, will be one of the most important starting chemicals in the coming society that is highly dependent on biomass. Taking fructose as a model compound, its decomposition kinetics in organic acids-enriched high temperature liquid water was studied in the temperature range from 180 C to 220 C under the pressure of 10 MPa to further improve reaction rate and selectivity of the decomposition reactions. The results showed that the reaction rate is greatly enhanced with the addition of organic acids, especially formic acid. The effects of temperature, residence time, organic acids and their concentrations on the conversion of fructose and yield of 5-HMF were investigated. The evaluated apparent activation energies of fructose decomposition are 126.8 {+-} 3.3 kJ mol{sup -1} without any catalyst, 112.0 {+-} 13.7 kJ mol{sup -1} catalyzed with formic acid, and 125.6 {+-} 3.8 kJ mol{sup -1} catalyzed with acetic acid, respectively, which shows no significant difference. (author)

  4. Stable and high order accurate difference methods for the elastic wave equation in discontinuous media

    KAUST Repository

    Duru, Kenneth; Virta, Kristoffer

    2014-01-01

    to be discontinuous. The key feature is the highly accurate and provably stable treatment of interfaces where media discontinuities arise. We discretize in space using high order accurate finite difference schemes that satisfy the summation by parts rule. Conditions

  5. High-Order Calderón Preconditioned Time Domain Integral Equation Solvers

    KAUST Repository

    Valdes, Felipe

    2013-05-01

    Two high-order accurate Calderón preconditioned time domain electric field integral equation (TDEFIE) solvers are presented. In contrast to existing Calderón preconditioned time domain solvers, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of fully-localized high-order div-and quasi curl-conforming (DQCC) basis functions. Numerical results demonstrate that the linear systems of equations obtained using the proposed basis functions converge rapidly, regardless of the mesh density and of the order of the current expansion. © 1963-2012 IEEE.

  6. High-Order Calderón Preconditioned Time Domain Integral Equation Solvers

    KAUST Repository

    Valdes, Felipe; Ghaffari-Miab, Mohsen; Andriulli, Francesco P.; Cools, Kristof; Michielssen,

    2013-01-01

    Two high-order accurate Calderón preconditioned time domain electric field integral equation (TDEFIE) solvers are presented. In contrast to existing Calderón preconditioned time domain solvers, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of fully-localized high-order div-and quasi curl-conforming (DQCC) basis functions. Numerical results demonstrate that the linear systems of equations obtained using the proposed basis functions converge rapidly, regardless of the mesh density and of the order of the current expansion. © 1963-2012 IEEE.

  7. Kinetics of a Criegee intermediate that would survive high humidity and may oxidize atmospheric SO2.

    Science.gov (United States)

    Huang, Hao-Li; Chao, Wen; Lin, Jim Jr-Min

    2015-09-01

    Criegee intermediates are thought to play a role in atmospheric chemistry, in particular, the oxidation of SO2, which produces SO3 and subsequently H2SO4, an important constituent of aerosols and acid rain. However, the impact of such oxidation reactions is affected by the reactions of Criegee intermediates with water vapor, because of high water concentrations in the troposphere. In this work, the kinetics of the reactions of dimethyl substituted Criegee intermediate (CH3)2COO with water vapor and with SO2 were directly measured via UV absorption of (CH3)2COO under near-atmospheric conditions. The results indicate that (i) the water reaction with (CH3)2COO is not fast enough (kH2O SO2 at a near-gas-kinetic-limit rate (kSO2 = 1.3 × 10(-10) cm(3) s(-1)). These observations imply a significant fraction of atmospheric (CH3)2COO may survive under humid conditions and react with SO2, very different from the case of the simplest Criegee intermediate CH2OO, in which the reaction with water dimer predominates in the CH2OO decay under typical tropospheric conditions. In addition, a significant pressure dependence was observed for the reaction of (CH3)2COO with SO2, suggesting the use of low pressure rate may underestimate the impact of this reaction. This work demonstrates that the reactivity of a Criegee intermediate toward water vapor strongly depends on its structure, which will influence the main decay pathways and steady-state concentrations for various Criegee intermediates in the atmosphere.

  8. High-rate capability of three-dimensionally ordered macroporous T-Nb2O5 through Li+ intercalation pseudocapacitance

    Science.gov (United States)

    Lou, Shuaifeng; Cheng, Xinqun; Wang, Long; Gao, Jinlong; Li, Qin; Ma, Yulin; Gao, Yunzhi; Zuo, Pengjian; Du, Chunyu; Yin, Geping

    2017-09-01

    Orthorhombic Niobium oxide (T-Nb2O5) has been regarded as a promising anode material for high-rate lithium ion batteries (LIBs) due to its potential to operate at high rates with improved safety and high theoretical capacity of 200 mA h g-1. Herein, three-dimensionally ordered macroporous (3DOM) T-Nb2O5, with mesoporous hierarchical structure, was firstly prepared by a simple approach employing self-assembly polystyrene (PS) microspheres as hard templates. The obtained T-Nb2O5 anode material presents obvious and highly-efficiency pseudocapacitive Li+ intercalation behaviour, which plays a dominant role in the kinetics of electrode process. As a result, rapid Li+ intercalation/de-intercalation are achieved, leading to excellent rate capability and long cycle life. The 3DOM T-Nb2O5 shows a remarkable high capacity of 106 and 77 mA h g-1 at the rate of 20C and 50C. The work presented herein holds great promise for future design of material structure, and demonstrates the great potential of T-Nb2O5 as a practical high-rate anode material for LIBs.

  9. Learning High-Order Filters for Efficient Blind Deconvolution of Document Photographs

    KAUST Repository

    Xiao, Lei; Wang, Jue; Heidrich, Wolfgang; Hirsch, Michael

    2016-01-01

    by small-scale high-order structures, we propose to learn a multi-scale, interleaved cascade of shrinkage fields model, which contains a series of high-order filters to facilitate joint recovery of blur kernel and latent image. With extensive experiments

  10. Reduced-order LPV model of flexible wind turbines from high fidelity aeroelastic codes

    DEFF Research Database (Denmark)

    Adegas, Fabiano Daher; Sønderby, Ivan Bergquist; Hansen, Morten Hartvig

    2013-01-01

    of high-order linear time invariant (LTI) models. Firstly, the high-order LTI models are locally approximated using modal and balanced truncation and residualization. Then, an appropriate coordinate transformation is applied to allow interpolation of the model matrices between points on the parameter...

  11. Disposition of smoked cannabis with high {Delta}{sup 9}-tetrahydrocannabinol content: A kinetic model

    Energy Technology Data Exchange (ETDEWEB)

    Hunault, Claudine C., E-mail: claudine.hunault@rivm.n [National Poisons Information Center, National Institute for Public Health and the Environment, Bilthoven (Netherlands); Eijkeren, Jan C.H. van [Expertise Center for Methodology and Information Services, National Institute for Public Health and the Environment, Bilthoven (Netherlands); Mensinga, Tjeert T [National Poisons Information Center, National Institute for Public Health and the Environment, Bilthoven (Netherlands); Clinic for treatment of drug addiction in Northern, Vondellaan 71-73, 9721 LB, Groningen (Netherlands); Vries, Irma de [National Poisons Information Center, National Institute for Public Health and the Environment, Bilthoven (Netherlands); Leenders, Marianne E.C. [National Poisons Information Center, National Institute for Public Health and the Environment, Bilthoven (Netherlands); Division of Perioperative and Emergency Care, University Medical Center Utrecht, 3584 CX (Netherlands); Meulenbelt, Jan [National Poisons Information Center, National Institute for Public Health and the Environment, Bilthoven (Netherlands); Division Intensive Care Center, University Medical Center Utrecht, 3584 CX, Utrecht (Netherlands); Institute for Risk Assessment Sciences, Utrecht University, Utrecht (Netherlands)

    2010-08-01

    Introduction: No model exists to describe the disposition and kinetics of inhaled cannabis containing a high THC dose. We aimed to develop a kinetic model providing estimates of the THC serum concentrations after smoking cannabis cigarettes containing high THC doses (up to 69 mg THC). Methods: Twenty-four male non-daily cannabis users smoked cannabis cigarettes containing 29.3 mg, 49.1 mg, and 69.4 mg THC. Blood samples were collected over a period of 0-8 h and serum THC concentrations were measured. A two-compartment open model was fitted on the individual observed data. Results: Large inter-individual variability was observed in the pharmacokinetic parameters. The median pharmacokinetic parameters generated by the model were C{sub max} = 175 ng/mL, T{sub max} = 14 min, and AUC{sub 0-8h} = 8150 ng x min/mL for the 69.4 mg THC dose. Median model results show an almost linear dose response relation for C{sub max}/Dose = 2.8 x 10{sup -6}/mL and AUC{sub 0-8h}/Dose = 136 x 10{sup -6} min/mL. However, for increasing dose level, there was a clear decreasing trend: C{sub max}/Dose = 3.4, 2.6 and 2.5 x 10{sup -6}/mL and AUC{sub 0-8h}/Dose = 157, 133 and 117 x 10{sup -6} min/mL for the 29.3, 49.1 and 69.4 mg dose, respectively. Within the restriction of 8 h of observation, the apparent terminal half life of THC was 150 min. Conclusion: The model offers insight into the pharmacokinetics of THC in recreational cannabis users smoking cannabis containing high doses of THC mixed with tobacco. The model is an objective method for providing serum THC concentrations up to 8 h after smoking cannabis with a high THC content (up to 23%).

  12. Experimental and Kinetic Modeling Study of C2H2Oxidation at High Pressure

    DEFF Research Database (Denmark)

    Lopez, Jorge Gimenez; Rasmussen, Christian Tihic; Hashemi, Hamid

    2016-01-01

    diagram for C2H3 + O2 by Goldsmith et al. and on new ab initio calculations, respectively. The C2H2 + HO2 reaction involves nine pressure- and temperature-dependent product channels, with formation of triplet CHCHO being dominant under most conditions. The barrier to reaction for C2H2 + O2 was found......A detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure has been developed and evaluated experimentally. The rate coefficients for the reactions of C2H2 with HO2 and O2 were investigated, based on the recent analysis of the potential energy...... to be more than 50 kcal mol−1 and predictions of the initiation temperature were not sensitive to this reaction. Experiments were conducted with C2H2/O2 mixtures highly diluted in N2 in a high-pressure flow reactor at 600–900 K and 60 bar, varying the reaction stoichiometry from very lean to fuel...

  13. One-week glucose control via zero-order release kinetics from an injectable depot of glucagon-like peptide-1 fused to a thermosensitive biopolymer.

    Science.gov (United States)

    Luginbuhl, Kelli M; Schaal, Jeffrey L; Umstead, Bret; Mastria, Eric M; Li, Xinghai; Banskota, Samagya; Arnold, Susan; Feinglos, Mark; D'Alessio, David; Chilkoti, Ashutosh

    2017-01-01

    Stimulation of the glucagon-like peptide-1 (GLP1) receptor is a useful treatment strategy for type 2 diabetes because of pleiotropic effects, including the regulation of islet hormones and the induction of satiety. However, the native ligand for the GLP1 receptor has a short half-live owing to enzymatic inactivation and rapid clearance. Here, we show that a subcutaneous depot formed after a single injection of GLP1 recombinantly fused to a thermosensitive elastin-like polypeptide results in zero-order release kinetics and circulation times of up to 10 days in mice and 17 days in monkeys. The optimized pharmacokinetics leads to 10 days of glycemic control in three different mouse models of diabetes, as well as to the reduction of glycosylated hemoglobin levels and weight gain in ob/ob mice treated once weekly for 8 weeks. Our results suggest that the optimized GLP1 formulation could enhance therapeutic outcomes by eliminating peak-and-valley pharmacokinetics and improving overall safety and tolerability. The design principles that we established should be broadly applicable for improving the pharmacological performance of other peptide and protein therapeutics.

  14. Study of the lifetime of the TL peaks of quartz: comparison of the deconvolution using the first order kinetic with the initial rise method

    International Nuclear Information System (INIS)

    RATOVONJANAHARY, A.J.F.

    2005-01-01

    Quartz is a thermoluminescent material which can be used for dating and/or for dosimetry. This material has been used since 60s for dating samples like pottery, flint, etc., but the method is still subject to some improvement. One of the problem of thermoluminescence dating is the estimation of the lifetime of the ''used peak'' . The application of the glow-curve deconvolution (GCD) technique for the analysis of a composite thermoluminescence glow curve into its individual glow peaks has been applied widely since the 80s. Many functions describing a single glow peak have been proposed. For analysing quartz behaviour, thermoluminescence glow-curve deconvolution (GCD) functions are compared for first order of kinetic. The free parameters of the GCD functions are the maximum peak intensity (I m ) and the maximum peak temperature (T m ), which can be obtained experimentally. The activation energy (E) is the additional free parameter. The lifetime (τ) of each glow peak, which is an important factor for dating, is calculated from these three parameters. For ''used'' ''peak'' lifetime analysis, GCD results are compared to those from initial rise method (IRM). Results vary fairly from method to method. [fr

  15. Theoretical evidence of the observed kinetic order dependence on temperature during the N(2)O decomposition over Fe-ZSM-5.

    Science.gov (United States)

    Guesmi, Hazar; Berthomieu, Dorothee; Bromley, Bryan; Coq, Bernard; Kiwi-Minsker, Lioubov

    2010-03-28

    The characterization of Fe/ZSM5 zeolite materials, the nature of Fe-sites active in N(2)O direct decomposition, as well as the rate limiting step are still a matter of debate. The mechanism of N(2)O decomposition on the binuclear oxo-hydroxo bridged extraframework iron core site [Fe(II)(mu-O)(mu-OH)Fe(II)](+) inside the ZSM-5 zeolite has been studied by combining theoretical and experimental approaches. The overall calculated path of N(2)O decomposition involves the oxidation of binuclear Fe(II) core sites by N(2)O (atomic alpha-oxygen formation) and the recombination of two surface alpha-oxygen atoms leading to the formation of molecular oxygen. Rate parameters computed using standard statistical mechanics and transition state theory reveal that elementary catalytic steps involved into N(2)O decomposition are strongly dependent on the temperature. This theoretical result was compared to the experimentally observed steady state kinetics of the N(2)O decomposition and temperature-programmed desorption (TPD) experiments. A switch of the reaction order with respect to N(2)O pressure from zero to one occurs at around 800 K suggesting a change of the rate determining step from the alpha-oxygen recombination to alpha-oxygen formation. The TPD results on the molecular oxygen desorption confirmed the mechanism proposed.

  16. High-order fractional partial differential equation transform for molecular surface construction.

    Science.gov (United States)

    Hu, Langhua; Chen, Duan; Wei, Guo-Wei

    2013-01-01

    Fractional derivative or fractional calculus plays a significant role in theoretical modeling of scientific and engineering problems. However, only relatively low order fractional derivatives are used at present. In general, it is not obvious what role a high fractional derivative can play and how to make use of arbitrarily high-order fractional derivatives. This work introduces arbitrarily high-order fractional partial differential equations (PDEs) to describe fractional hyperdiffusions. The fractional PDEs are constructed via fractional variational principle. A fast fractional Fourier transform (FFFT) is proposed to numerically integrate the high-order fractional PDEs so as to avoid stringent stability constraints in solving high-order evolution PDEs. The proposed high-order fractional PDEs are applied to the surface generation of proteins. We first validate the proposed method with a variety of test examples in two and three-dimensional settings. The impact of high-order fractional derivatives to surface analysis is examined. We also construct fractional PDE transform based on arbitrarily high-order fractional PDEs. We demonstrate that the use of arbitrarily high-order derivatives gives rise to time-frequency localization, the control of the spectral distribution, and the regulation of the spatial resolution in the fractional PDE transform. Consequently, the fractional PDE transform enables the mode decomposition of images, signals, and surfaces. The effect of the propagation time on the quality of resulting molecular surfaces is also studied. Computational efficiency of the present surface generation method is compared with the MSMS approach in Cartesian representation. We further validate the present method by examining some benchmark indicators of macromolecular surfaces, i.e., surface area, surface enclosed volume, surface electrostatic potential and solvation free energy. Extensive numerical experiments and comparison with an established surface model

  17. Simultaneous measurement of polymerization stress and curing kinetics for photo-polymerized composites with high filler contents.

    Science.gov (United States)

    Wang, Zhengzhi; Landis, Forrest A; Giuseppetti, Anthony A M; Lin-Gibson, Sheng; Chiang, Martin Y M

    2014-12-01

    Photopolymerized composites are used in a broad range of applications with their performance largely directed by reaction kinetics and contraction accompanying polymerization. The present study was to demonstrate an instrument capable of simultaneously collecting multiple kinetics parameters for a wide range of photopolymerizable systems: degree of conversion (DC), reaction exotherm, and polymerization stress (PS). Our system consisted of a cantilever beam-based instrument (tensometer) that has been optimized to capture a large range of stress generated by lightly-filled to highly-filled composites. The sample configuration allows the tensometer to be coupled to a fast near infrared (NIR) spectrometer collecting spectra in transmission mode. Using our instrument design, simultaneous measurements of PS and DC are performed, for the first time, on a commercial composite with ≈80% (by mass) silica particle fillers. The in situ NIR spectrometer collects more than 10 spectra per second, allowing for thorough characterization of reaction kinetics. With increased instrument sensitivity coupled with the ability to collect real time reaction kinetics information, we show that the external constraint imposed by the cantilever beam during polymerization could affect the rate of cure and final degree of polymerization. The present simultaneous measurement technique is expected to provide new insights into kinetics and property relationships for photopolymerized composites with high filler content such as dental restorative composites. Published by Elsevier Ltd.

  18. Mechanical properties of ground state structures in substitutional ordered alloys: High strength, high ductility and high thermal stability

    International Nuclear Information System (INIS)

    Tawancy, H.M.; Aboelfotoh, M.O.

    2014-01-01

    We have studied the effect of atom arrangements in the ground state structures of substitutional ordered alloys on their mechanical properties using nickel–molybdenum-based alloys as model systems. Three alloys with nominal compositions of Ni–19.43 at% Mo, Ni–18.53 at% Mo–15.21 at% Cr and Ni–18.72 at% Mo–6.14 at% Nb are included in the study. In agreement with theoretical predictions, the closely related Pt 2 Mo-type, DO 22 and D1 a superlattices with similar energies are identified by electron diffraction of ground state structures, which can directly be derived from the parent disordered fcc structure by minor atom rearrangements on {420} fcc planes. The three superlattices are observed to coexist during the disorder–order transformation at 700 °C with the most stable superlattice being determined by the exact chemical composition. Although most of the slip systems in the parent disordered fcc structure are suppressed, many of the twinning systems remain operative in the superlattices favoring deformation by twinning, which leads to considerable strengthening while maintaining high ductility levels. Both the Pt 2 Mo-type and DO 22 superlattices are distinguished by high strength and high ductility due to their nanoscale microstructures, which have high thermal stability. However, the D1 a superlattice is found to exhibit poor thermal stability leading to considerable loss of ductility, which has been correlated with self-induced recrystallization by migration of grain boundaries

  19. Development of Kinetics and Mathematical Models for High Pressure Gasification of Lignite-Switchgrass Blends

    Energy Technology Data Exchange (ETDEWEB)

    Agrawal, Pradeep K. [Georgia Inst. of Technology, Atlanta, GA (United States). School of Chemical and Biomolecular Engineering

    2016-12-20

    The overall objective of the current project was to investigate the high pressure gasification characteristics of a feed containing both coal and biomass. The two feed types differ in their ash contents and ash composition, particularly the alkali content. Gasification of a combined feed of coal and biomass has the potential for considerable synergies that might lead to a dramatic improvement in process economics and flexibility. The proposed study aimed to develop a detailed understanding of the chemistry, kinetics, and transport effects during high pressure gasification of coal-biomass blend feed. Specifically, we studied to develop: (a) an understanding of the catalytic effect of alkali and other inorganic species present in the biomass and coal, (b) an understanding of processing conditions under which synergistic effects of the blending of coal and biomass might be observed. This included the role of particle size, residence time, and proximity of the two feed types, (c) kinetics of high pressure gasification of individual feeds as well as the blends, and (d) development of mathematical models that incorporate kinetics and transport models to enable prediction of gasification rate at a given set of operating conditions, and (e) protocols to extend the results to other feed resources. The goal was to provide a fundamental understanding of the gasification process and guide in optimizing the configurations and design of the next generation of gasifiers. The approach undertaken was centered on two basic premises: (1) the gasification for small particles without internal mass transfer limitations can be treated as the sum of two processes in series (pyrolysis and char gasification) , and (2) the reactivity of the char generated during pyrolysis not only depends on the pressure and temperature but is also affected by the heating rates. Thus low heating rates (10-50 °C/min) typical of PTGA fail to produce char that would typically be formed at high heating rates

  20. Using high-order methods on adaptively refined block-structured meshes - discretizations, interpolations, and filters.

    Energy Technology Data Exchange (ETDEWEB)

    Ray, Jaideep; Lefantzi, Sophia; Najm, Habib N.; Kennedy, Christopher A.

    2006-01-01

    Block-structured adaptively refined meshes (SAMR) strive for efficient resolution of partial differential equations (PDEs) solved on large computational domains by clustering mesh points only where required by large gradients. Previous work has indicated that fourth-order convergence can be achieved on such meshes by using a suitable combination of high-order discretizations, interpolations, and filters and can deliver significant computational savings over conventional second-order methods at engineering error tolerances. In this paper, we explore the interactions between the errors introduced by discretizations, interpolations and filters. We develop general expressions for high-order discretizations, interpolations, and filters, in multiple dimensions, using a Fourier approach, facilitating the high-order SAMR implementation. We derive a formulation for the necessary interpolation order for given discretization and derivative orders. We also illustrate this order relationship empirically using one and two-dimensional model problems on refined meshes. We study the observed increase in accuracy with increasing interpolation order. We also examine the empirically observed order of convergence, as the effective resolution of the mesh is increased by successively adding levels of refinement, with different orders of discretization, interpolation, or filtering.

  1. Kinetic parameters from thermogravimetric analysis

    Science.gov (United States)

    Kiefer, Richard L.

    1993-01-01

    High performance polymeric materials are finding increased use in aerospace applications. Proposed high speed aircraft will require materials to withstand high temperatures in an oxidative atmosphere for long periods of time. It is essential that accurate estimates be made of the performance of these materials at the given conditions of temperature and time. Temperatures of 350 F (177 C) and times of 60,000 to 100,000 hours are anticipated. In order to survey a large number of high performance polymeric materials on a reasonable time scale, some form of accelerated testing must be performed. A knowledge of the rate of a process can be used to predict the lifetime of that process. Thermogravimetric analysis (TGA) has frequently been used to determine kinetic information for degradation reactions in polymeric materials. Flynn and Wall studied a number of methods for using TGA experiments to determine kinetic information in polymer reactions. Kinetic parameters, such as the apparent activation energy and the frequency factor, can be determined in such experiments. Recently, researchers at the McDonnell Douglas Research Laboratory suggested that a graph of the logarithm of the frequency factor against the apparent activation energy can be used to predict long-term thermo-oxidative stability for polymeric materials. Such a graph has been called a kinetic map. In this study, thermogravimetric analyses were performed in air to study the thermo-oxidative degradation of several high performance polymers and to plot their kinetic parameters on a kinetic map.

  2. Radiation ordering in quenched alloys observed 'in situ' in the high voltage microscope

    International Nuclear Information System (INIS)

    Tendeloo, G. van; Landuyt, J. van; Amelinckx, S.

    1979-01-01

    Different alloys with a face centered cubic disordered structure have been electron irradiated in the quenched or short range order state under direct observation in a high voltage electron microscope. Ordering due to 1 MeV irradiation has been observed in Au 4 MN, Ni 4 Mo and Cu 3 Pd. Care has been taken to avoid ordering due to the thermal effect of the electron beam. It has been demonstrated that although similar states of order can be achieved by thermal and irradiation ordering, the path followed can be different. (author)

  3. Kinetics of charged particles in a high-voltage gas discharge in a nonuniform electrostatic field

    Energy Technology Data Exchange (ETDEWEB)

    Kolpakov, V. A., E-mail: kolpakov683@gmail.com; Krichevskii, S. V.; Markushin, M. A. [Korolev Samara National Research University (Russian Federation)

    2017-01-15

    A high-voltage gas discharge is of interest as a possible means of generating directed flows of low-temperature plasma in the off-electrode space distinguished by its original features [1–4]. We propose a model for calculating the trajectories of charges particles in a high-voltage gas discharge in nitrogen at a pressure of 0.15 Torr existing in a nonuniform electrostatic field and the strength of this field. Based on the results of our calculations, we supplement and refine the extensive experimental data concerning the investigation of such a discharge published in [1, 2, 5–8]; good agreement between the theory and experiment has been achieved. The discharge burning is initiated and maintained through bulk electron-impact ionization and ion–electron emission. We have determined the sizes of the cathode surface regions responsible for these processes, including the sizes of the axial zone involved in the discharge generation. The main effect determining the kinetics of charged particles consists in a sharp decrease in the strength of the field under consideration outside the interelectrode space, which allows a free motion of charges with specific energies and trajectories to be generated in it. The simulation results confirm that complex electrode systems that allow directed plasma flows to be generated at a discharge current of hundreds or thousands of milliamperes and a voltage on the electrodes of 0.3–1 kV can be implemented in practice [3, 9, 10].

  4. Shock tube/time-of-flight mass spectrometer for high temperature kinetic studies

    International Nuclear Information System (INIS)

    Tranter, Robert S.; Giri, Binod R.; Kiefer, John H.

    2007-01-01

    A shock tube (ST) with online, time-of-flight mass spectrometric (TOF-MS) detection has been constructed for the study of elementary reactions at high temperature. The ST and TOF-MS are coupled by a differentially pumped molecular beam sampling interface, which ensures that the samples entering the TOF-MS are not contaminated by gases drawn from the cold end wall thermal boundary layer in the ST. Additionally, the interface allows a large range of postshock pressures to be used in the shock tube while maintaining high vacuum in the TOF-MS. The apparatus and the details of the sampling system are described along with an analysis in which cooling of the sampled gases and minimization of thermal boundary layer effects are discussed. The accuracy of kinetic measurements made with the apparatus has been tested by investigating the thermal unimolecular dissociation of cyclohexene to ethylene and 1,3-butadiene, a well characterized reaction for which considerable literature data that are in good agreement exist. The experiments were performed at nominal reflected shock wave pressures of 600 and 1300 Torr, and temperatures ranging from 1260 to 1430 K. The rate coefficients obtained are compared with the earlier shock tube studies and are found to be in very good agreement. As expected no significant difference is observed in the rate constant between pressures of 600 and 1300 Torr

  5. Insights into the Mechanism and Kinetics of Thermo-Oxidative Degradation of HFPE High Performance Polymer.

    Science.gov (United States)

    Kunnikuruvan, Sooraj; Parandekar, Priya V; Prakash, Om; Tsotsis, Thomas K; Nair, Nisanth N

    2016-06-02

    The growing requisite for materials having high thermo-oxidative stability makes the design and development of high performance materials an active area of research. Fluorination of the polymer backbone is a widely applied strategy to improve various properties of the polymer, most importantly the thermo-oxidative stability. Many of these fluorinated polymers are known to have thermo-oxidative stability up to 700 K. However, for space and aerospace applications, it is important to improve its thermo-oxidative stability beyond 700 K. Molecular-level details of the thermo-oxidative degradation of such polymers can provide vital information to improve the polymer. In this spirit, we have applied quantum mechanical and microkinetic analysis to scrutinize the mechanism and kinetics of the thermo-oxidative degradation of a fluorinated polymer with phenylethenyl end-cap, HFPE. This study gives an insight into the thermo-oxidative degradation of HFPE and explains most of the experimental observations on the thermo-oxidative degradation of this polymer. Thermolysis of C-CF3 bond in the dianhydride component (6FDA) of HFPE is found to be the rate-determining step of the degradation. Reaction pathways that are responsible for the experimentally observed weight loss of the polymer is also scrutinized. On the basis of these results, we propose a modification of HFPE polymer to improve its thermo-oxidative stability.

  6. VSS Degradation Kinetics in High Temperature Aerobic Digestion and Microbial Community Characteristics

    Directory of Open Access Journals (Sweden)

    Yunfen Shi

    2018-01-01

    Full Text Available Piggery wastewater is a kind of high concentration organic wastewater with high concentration of pollutants, large amount of emissions, and serious environmental pollution and is difficult to deal with. Piggery wastewater was treated with autothermal hyperthermia aerobic digestion process (ATAD and its biodegradation kinetics was studied. The ATAD system was automatically heated up and the reaction temperature rose from ambient temperature of 20°C to a maximum temperature of 64°C. Based on Arrhenius formula, the empirical model is obtained through dimensional analysis. The removal of volatile suspended solids (VSS was correlated with the initial VSS concentration, water inlet temperature, aeration rate, and agitation rate in the model. In the empirical model, the apparent activation energy was 2.827 kJ·mol−1. The exponentials for the initial VSS concentration, aeration rate, and stirring rate were 1.0587, −0.0976, and −0.1618, respectively. The correlation coefficient of the exponential factor was 0.9971. The VSS removal efficiency predicted by the model was validated with an actual test, showing a maximum relative deviation of 8.82%. Sludge systems show a lower diversity of microbial populations and Bacillus occupies a very important position in the reactor. The data obtained will be useful for optimizing piggery wastewater treatment process. The new model provided good theoretical guidance with good practicality.

  7. Kinetic Monte Carlo Potts Model for Simulating a High Burnup Structure in UO2

    International Nuclear Information System (INIS)

    Oh, Jae-Yong; Koo, Yang-Hyun; Lee, Byung-Ho

    2008-01-01

    A Potts model, based on the kinetic Monte Carlo method, was originally developed for magnetic domain evolutions, but it was also proposed as a model for a grain growth in polycrystals due to similarities between Potts domain structures and grain structures. It has modeled various microstructural phenomena such as grain growths, a recrystallization, a sintering, and so on. A high burnup structure (HBS) is observed in the periphery of a high burnup UO 2 fuel. Although its formation mechanism is not clearly understood yet, its characteristics are well recognized: The HBS microstructure consists of very small grains and large bubbles instead of original as-sintered grains. A threshold burnup for the HBS is observed at a local burnup 60-80 Gwd/tM, and the threshold temperature is 1000-1200 .deg. C. Concerning a energy stability, the HBS can be created if the system energy of the HBS is lower than that of the original structure in an irradiated UO 2 . In this paper, a Potts model was implemented for simulating the HBS by calculating system energies, and the simulation results were compared with the HBS characteristics mentioned above

  8. Nuclear material enrichment identification method based on cross-correlation and high order spectra

    International Nuclear Information System (INIS)

    Yang Fan; Wei Biao; Feng Peng; Mi Deling; Ren Yong

    2013-01-01

    In order to enhance the sensitivity of nuclear material identification system (NMIS) against the change of nuclear material enrichment, the principle of high order statistic feature is introduced and applied to traditional NMIS. We present a new enrichment identification method based on cross-correlation and high order spectrum algorithm. By applying the identification method to NMIS, the 3D graphs with nuclear material character are presented and can be used as new signatures to identify the enrichment of nuclear materials. The simulation result shows that the identification method could suppress the background noises, electronic system noises, and improve the sensitivity against enrichment change to exponential order with no system structure modification. (authors)

  9. Non-kinetic capabilities: complementing the kinetic prevalence to targeting

    OpenAIRE

    Ducheine, P.

    2014-01-01

    Targeting is used in military doctrine to describe a military operational way, using (military) means to influence a target (or addressee) in order to achieve designated political and/or military goals. The four factors italicized are used to analyse non-kinetic targeting, complementing our knowledge and understanding of the kinetic prevalence. Paradoxically, non-kinetic targeting is not recognized as a separate concept: kinetic and non-kinetic are intertwined facets of targeting. Kinetic tar...

  10. Technical Training on High-Order Spectral Analysis and Thermal Anemometry Applications

    Science.gov (United States)

    Maslov, A. A.; Shiplyuk, A. N.; Sidirenko, A. A.; Bountin, D. A.

    2003-01-01

    The topics of thermal anemometry and high-order spectral analyses were the subject of the technical training. Specifically, the objective of the technical training was to study: (i) the recently introduced constant voltage anemometer (CVA) for high-speed boundary layer; and (ii) newly developed high-order spectral analysis techniques (HOSA). Both CVA and HOSA are relevant tools for studies of boundary layer transition and stability.

  11. Time-Frequency Analysis Using Warped-Based High-Order Phase Modeling

    Directory of Open Access Journals (Sweden)

    Ioana Cornel

    2005-01-01

    Full Text Available The high-order ambiguity function (HAF was introduced for the estimation of polynomial-phase signals (PPS embedded in noise. Since the HAF is a nonlinear operator, it suffers from noise-masking effects and from the appearance of undesired cross-terms when multicomponents PPS are analyzed. In order to improve the performances of the HAF, the multi-lag HAF concept was proposed. Based on this approach, several advanced methods (e.g., product high-order ambiguity function (PHAF have been recently proposed. Nevertheless, performances of these new methods are affected by the error propagation effect which drastically limits the order of the polynomial approximation. This phenomenon acts especially when a high-order polynomial modeling is needed: representation of the digital modulation signals or the acoustic transient signals. This effect is caused by the technique used for polynomial order reduction, common for existing approaches: signal multiplication with the complex conjugated exponentials formed with the estimated coefficients. In this paper, we introduce an alternative method to reduce the polynomial order, based on the successive unitary signal transformation, according to each polynomial order. We will prove that this method reduces considerably the effect of error propagation. Namely, with this order reduction method, the estimation error at a given order will depend only on the performances of the estimation method.

  12. Kinetics of low temperature polyester dyeing with high molecular weight disperse dyes by solvent microemulsion and agrosourced auxiliaries

    OpenAIRE

    Radei, Shahram; Carrión-Fité, Francisco Javier; Ardanuy Raso, Mònica; Canal Arias, José Ma

    2018-01-01

    This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin) using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100...

  13. Kinetics of Low Temperature Polyester Dyeing with High Molecular Weight Disperse Dyes by Solvent Microemulsion and AgroSourced Auxiliaries

    OpenAIRE

    Shahram Radei; F. Javier Carrión-Fité; Mònica Ardanuy; José María Canal

    2018-01-01

    This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin) using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100...

  14. Adsorption of basic dye on high-surface-area activated carbon prepared from coconut husk: Equilibrium, kinetic and thermodynamic studies

    Energy Technology Data Exchange (ETDEWEB)

    Tan, I.A.W.; Ahmad, A.L. [School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Penang (Malaysia); Hameed, B.H. [School of Chemical Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Penang (Malaysia)], E-mail: chbassim@eng.usm.my

    2008-06-15

    Adsorption isotherm and kinetics of methylene blue on activated carbon prepared from coconut husk were determined from batch tests. The effects of contact time (1-30 h), initial dye concentration (50-500 mg/l) and solution temperature (30-50 {sup o}C) were investigated. Equilibrium data were fitted to Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherm models. The equilibrium data were best represented by Langmuir isotherm model, showing maximum monolayer adsorption capacity of 434.78 mg/g. The kinetic data were fitted to pseudo-first-order, pseudo-second-order and intraparticle diffusion models, and was found to follow closely the pseudo-second-order kinetic model. Thermodynamic parameters such as standard enthalpy ({delta}H{sup o}), standard entropy ({delta}S{sup o}) and standard free energy ({delta}G{sup o}) were evaluated. The adsorption interaction was found to be exothermic in nature. Coconut husk-based activated carbon was shown to be a promising adsorbent for removal of methylene blue from aqueous solutions.

  15. A short period of high-intensity interval training improves skeletal muscle mitochondrial function and pulmonary oxygen uptake kinetics

    DEFF Research Database (Denmark)

    Christensen, Peter Møller; Jacobs, Robert A; Bonne, Thomas Christian

    2016-01-01

    The aim of the present study was to examine whether improvements in pulmonary V̇O2 kinetics following a short period of high-intensity training (HIT) would be associated with improved skeletal muscle mitochondrial function. Ten untrained male volunteers (age: 26 ± 2; mean ± SD) performed six HIT...

  16. The importance of inclusion of kinetic information in the extrapolation of high-to-low concentrations for human limit setting.

    NARCIS (Netherlands)

    Geraets, Liesbeth; Zeilmaker, Marco J; Bos, Peter M J

    2018-01-01

    Human health risk assessment of inhalation exposures generally includes a high-to-low concentration extrapolation. Although this is a common step in human risk assessment, it introduces various uncertainties. One of these uncertainties is related to the toxicokinetics. Many kinetic processes such as

  17. A model for plasticity kinetics and its role in simulating the dynamic behavior of Fe at high strain rates

    Energy Technology Data Exchange (ETDEWEB)

    Colvin, J D; Minich, R W; Kalantar, D H

    2007-03-29

    The recent diagnostic capability of the Omega laser to study solid-solid phase transitions at pressures greater than 10 GPa and at strain rates exceeding 10{sup 7} s{sup -1} has also provided valuable information on the dynamic elastic-plastic behavior of materials. We have found, for example, that plasticity kinetics modifies the effective loading and thermodynamic paths of the material. In this paper we derive a kinetics equation for the time-dependent plastic response of the material to dynamic loading, and describe the model's implementation in a radiation-hydrodynamics computer code. This model for plasticity kinetics incorporates the Gilman model for dislocation multiplication and saturation. We discuss the application of this model to the simulation of experimental velocity interferometry data for experiments on Omega in which Fe was shock compressed to pressures beyond the {alpha}-to-{var_epsilon} phase transition pressure. The kinetics model is shown to fit the data reasonably well in this high strain rate regime and further allows quantification of the relative contributions of dislocation multiplication and drag. The sensitivity of the observed signatures to the kinetics model parameters is presented.

  18. Validation of a RANS transition model using a high-order weighted compact nonlinear scheme

    Science.gov (United States)

    Tu, GuoHua; Deng, XiaoGang; Mao, MeiLiang

    2013-04-01

    A modified transition model is given based on the shear stress transport (SST) turbulence model and an intermittency transport equation. The energy gradient term in the original model is replaced by flow strain rate to saving computational costs. The model employs local variables only, and then it can be conveniently implemented in modern computational fluid dynamics codes. The fifth-order weighted compact nonlinear scheme and the fourth-order staggered scheme are applied to discrete the governing equations for the purpose of minimizing discretization errors, so as to mitigate the confusion between numerical errors and transition model errors. The high-order package is compared with a second-order TVD method on simulating the transitional flow of a flat plate. Numerical results indicate that the high-order package give better grid convergence property than that of the second-order method. Validation of the transition model is performed for transitional flows ranging from low speed to hypersonic speed.

  19. High-temperature dehydration of talc: a kinetics study using in situ X-ray powder diffraction

    Science.gov (United States)

    Wang, Duojun; Yi, Li; Huang, Bojin; Liu, Chuanjiang

    2015-06-01

    High-temperature in situ X-ray powder diffraction patterns were used to study the dehydration kinetics of natural talc with a size of 10-15 µm. The talc was annealed from 1073 to 1223 K, and the variations in the characteristic peaks corresponding to talc with the time were recorded to determine the reaction progress. The decomposition of talc occurred, and peaks corresponding to talc and peaks corresponding to enstatite and quartz were observed. The enstatite and talc exhibited a topotactic relationship. The dehydration kinetics of talc was studied as a function of temperature between 1073 and 1223 K. The kinetics data could be modeled using an Avrami equation that considers nucleation and growth processes ? where n varies from 0.4 to 0.8. The rate constant (k) equation for the natural talc is ? The reaction mechanism for the dehydration of talc is a heterogeneous nucleation and growth mechanism.

  20. Generation of High-order Group-velocity-locked Vector Solitons

    OpenAIRE

    Jin, X. X.; Wu, Z. C.; Zhang, Q.; Li, L.; Tang, D. Y.; Shen, D. Y.; Fu, S. N.; Liu, D. M.; Zhao, L. M.

    2015-01-01

    We report numerical simulations on the high-order group-velocity-locked vector soliton (GVLVS) generation based on the fundamental GVLVS. The high-order GVLVS generated is characterized with a two-humped pulse along one polarization while a single-humped pulse along the orthogonal polarization. The phase difference between the two humps could be 180 degree. It is found that by appropriate setting the time separation between the two components of the fundamental GVLVS, the high-order GVLVS wit...

  1. Influence of Misalignment on High-Order Aberration Correction for Normal Human Eyes

    Science.gov (United States)

    Zhao, Hao-Xin; Xu, Bing; Xue, Li-Xia; Dai, Yun; Liu, Qian; Rao, Xue-Jun

    2008-04-01

    Although a compensation device can correct aberrations of human eyes, the effect will be degraded by its misalignment, especially for high-order aberration correction. We calculate the positioning tolerance of correction device for high-order aberrations, and within what degree the correcting effect is better than low-order aberration (defocus and astigmatism) correction. With fixed certain misalignment within the positioning tolerance, we calculate the residual wavefront rms aberration of the first-6 to first-35 terms along with the 3rd-5th terms of aberrations corrected, and the combined first-13 terms of aberrations are also studied under the same quantity of misalignment. However, the correction effect of high-order aberrations does not meliorate along with the increase of the high-order terms under some misalignment, moreover, some simple combined terms correction can achieve similar result as complex combinations. These results suggest that it is unnecessary to correct too much the terms of high-order aberrations which are difficult to accomplish in practice, and gives confidence to correct high-order aberrations out of the laboratory.

  2. Influence of Misalignment on High-Order Aberration Correction for Normal Human Eyes

    International Nuclear Information System (INIS)

    Hao-Xin, Zhao; Bing, Xu; Li-Xia, Xue; Yun, Dai; Qian, Liu; Xue-Jun, Rao

    2008-01-01

    Although a compensation device can correct aberrations of human eyes, the effect will be degraded by its misalignment, especially for high-order aberration correction. We calculate the positioning tolerance of correction device for high-order aberrations, and within what degree the correcting effect is better than low-order aberration (defocus and astigmatism) correction. With fixed certain misalignment within the positioning tolerance, we calculate the residual wavefront rms aberration of the first-6 to first-35 terms along with the 3rd-5th terms of aberrations corrected, and the combined first-13 terms of aberrations are also studied under the same quantity of misalignment. However, the correction effect of high-order aberrations does not meliorate along with the increase of the high-order terms under some misalignment, moreover, some simple combined terms correction can achieve similar result as complex combinations. These results suggest that it is unnecessary to correct too much the terms of high-order aberrations which are difficult to accomplish in practice, and gives confidence to correct high-order aberrations out of the laboratory

  3. Calculation of neutron flux and reactivity by perturbation theory at high order

    International Nuclear Information System (INIS)

    Silva, W.L.P. da; Silva, F.C. da; Thome Filho, Z.D.

    1982-01-01

    A high order pertubation theory is studied, independent of time, applied to integral parameter calculation of a nuclear reactor. A pertubative formulation, based on flux difference technique, which gives directy the reactivity and neutron flux up to the aproximation order required, is presented. As an application of the method, global pertubations represented by fuel temperature variations, are used. Tests were done aiming to verify the relevancy of the approximation order for several intensities of the pertubations considered. (E.G.) [pt

  4. Perrhenate sorption kinetics in zerovalent iron in high pH and nitrate media

    International Nuclear Information System (INIS)

    Lenell, Brian A.; Arai, Yuji

    2017-01-01

    Graphical abstract: Ammonium adsorption enhanced ReO 4 − adsorption in ZVI under alkaline conditions (modified from Cho et al., 2015) [39]. - Highlights: • ZVI effectively sorbs Re(VII) at near neutral pH. • Sorption of Re(VII) in ZVI is attributed to the reductive precipitation of Re(IV)O 2 . • The extent of Re(VII) sorption in ZVI decreases with increasing pH from 8 to 10. • The rate of Re(VII) sorption in ZVI increases with increasing nitrate concentration. - Abstract: Technetium(Tc)-99 is one of major risk drivers in low level radioactive liquid waste at the U.S. Department of Energy sites. Cementitious waste technology (CWT) has been considered immobilizing pertechnetate, Tc(VII)O 4 − , in brine and alkaline waste solutions, as Tc(IV) oxides and/or sulfides with the use of reducing agents like slag. In this study, zero valent iron (ZVI) was evaluated as a potential reducing agent in CWT as a function of pH and [nitrate] (0–0.1 M) using perrhenate, Re(VII)O 4 − , as an analogue for Tc(VII)O 4 − . Batch Re(VII)O 4 − sorption experiments in conjunction with X-ray absorption spectroscopic analysis showed that the Re(VII) sorption occurred via the reductive precipitation of Re(IV)O 2 (s) and the extent of sorption decreased with increasing pH from 8 to 10. Interestingly, pseudo 2nd order kinetic rates increased with increasing [nitrate] which was attributed to co-adsorption of NH 4 + (i.e., a reaction product of reduced nitrate by ZVI), facilitating electrostatic attraction towards ReO 4 − under alkaline conditions. Considering the thermodynamically favorable reduction of Tc(VII) over Re(VII), ZVI might have potential for improving the reduction capacity of the current CWT.

  5. Kinetic and thermodynamic analysis of ultra-high pressure and heat ...

    African Journals Online (AJOL)

    Agriculture/Synergetic Innovation Center of Food Safety and Nutrition, Nanjing ... Purpose: To undertake comparative kinetic and thermodynamic analyses of the interaction of bovine ..... efficacy evaluation of anti-cancer drugs in apoptosis.

  6. Mechanical properties of ground state structures in substitutional ordered alloys: High strength, high ductility and high thermal stability

    Energy Technology Data Exchange (ETDEWEB)

    Tawancy, H.M., E-mail: tawancy@kfupm.edu.sa [Center for Engineering Research, Research Institute, King Fahd University of Petroleum and Minerals, KFUPM Box 1639, Dhahran 31261 (Saudi Arabia); Aboelfotoh, M.O., E-mail: oaboelfotoh@gmail.com [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27606 (United States)

    2014-05-01

    We have studied the effect of atom arrangements in the ground state structures of substitutional ordered alloys on their mechanical properties using nickel–molybdenum-based alloys as model systems. Three alloys with nominal compositions of Ni–19.43 at% Mo, Ni–18.53 at% Mo–15.21 at% Cr and Ni–18.72 at% Mo–6.14 at% Nb are included in the study. In agreement with theoretical predictions, the closely related Pt{sub 2}Mo-type, DO{sub 22} and D1{sub a} superlattices with similar energies are identified by electron diffraction of ground state structures, which can directly be derived from the parent disordered fcc structure by minor atom rearrangements on {420}{sub fcc} planes. The three superlattices are observed to coexist during the disorder–order transformation at 700 °C with the most stable superlattice being determined by the exact chemical composition. Although most of the slip systems in the parent disordered fcc structure are suppressed, many of the twinning systems remain operative in the superlattices favoring deformation by twinning, which leads to considerable strengthening while maintaining high ductility levels. Both the Pt{sub 2}Mo-type and DO{sub 22} superlattices are distinguished by high strength and high ductility due to their nanoscale microstructures, which have high thermal stability. However, the D1{sub a} superlattice is found to exhibit poor thermal stability leading to considerable loss of ductility, which has been correlated with self-induced recrystallization by migration of grain boundaries.

  7. Kinetics of the high-temperature combustion reactions of dibutylether using composite computational methods

    KAUST Repository

    Rachidi, Mariam El

    2015-01-01

    This paper investigates the high-temperature combustion kinetics of n-dibutyl ether (n-DBE), including unimolecular decomposition, H-abstraction by H, H-migration, and C{single bond}C/C{single bond}O β-scission reactions of the DBE radicals. The energetics of H-abstraction by OH radicals is also studied. All rates are determined computationally using the CBS-QB3 and G4 composite methods in conjunction with conventional transition state theory. The B3LYP/6-311++G(2df,2pd) method is used to optimize the geometries and calculate the frequencies of all reactive species and transition states for use in ChemRate. Some of the rates calculated in this study vary markedly from those obtained for similar reactions of alcohols or alkanes, particularly those pertaining to unimolecular decomposition and β-scission at the α-β C{single bond}C bond. These variations show that analogies to alkanes and alcohols are, in some cases, inappropriate means of estimating the reaction rates of ethers. This emphasizes the need to establish valid rates through computation or experimentation. Such studies are especially important given that ethers exhibit promising biofuel and fuel additive characteristics. © 2014.

  8. Precipitation Kinetics of Cr2N in High Nitrogen Austenitic Stainless Steel

    Institute of Scientific and Technical Information of China (English)

    SHI Feng; WANG Li-jun; CUI Wen-fang; LIU Chun-ming

    2008-01-01

    The precipitation behavior of Cr2N during isothermal aging in the temperature range from 700℃to 950℃ in Fe-18Cr-12Mn-0.48N(in mass percent)high nitrogen austenitic stainless steel,including morphology and content of precipitate,was investigated using optical microscopy,scanning electron microscopy,and transmission electron microscopy.The isothermal precipitation kinetics curve of Cr2N and the corresponding precipitation activation energy were obtained.The results show that Cr2N phase precipitates in a cellular way and its morphology is transformed from initial granular precipitates to lamellar ones in the cell with increasing aging time.The nose temperature of Cr2N precipitation is about 800℃,with a corresponding incubation period of 30 min,and the ceiling temperature of Cr2N precipitation is 950℃.The diffusion activation energy of Cr2N precipitation is 296 kJ/mol.

  9. Oxidation Kinetics of a NiPtTi High Temperature Shape Memory Alloy

    Science.gov (United States)

    Smialek, James L.; Humphrey, Donald L.; Noebe, Ronald D.

    2007-01-01

    A high temperature shape memory alloy (HTSMA), Ni30Pt50Ti, with an M(sub s) near 600 C, was isothermally oxidized in air for 100 hr over the temperature range of 500 to 900 C. Parabolic kinetics were confirmed by log-log and parabolic plots and showed no indication of fast transient oxidation. The overall behavior could be best described by the Arrhenius relationship: k(sub p) = 1.64 x 10(exp 12)[(-250 kJ/mole)/RT] mg(sup 2)/cm(sup 4)hr. This is about a factor of 4 reduction compared to values measured here for a binary Ni47Ti commercial SMA. The activation energy agreed with most literature values for TiO2 scale growth measured for elemental Ti and other NiTi alloys. Assuming uniform alloy depletion of a 20 mil (0.5 mm) dia. HTSMA wire, approx. 1 percent Ti reduction is predicted after 20,000 hr oxidation at 500 C, but becomes much more serious at higher temperatures.

  10. Kinetics of the high temperature oxygen exchange reaction on 238PuO2 powder

    International Nuclear Information System (INIS)

    Whiting, Christofer E.; Du, Miting; Felker, L. Kevin; Wham, Robert M.; Barklay, Chadwick D.; Kramer, Daniel P.

    2015-01-01

    Oxygen exchange reactions performed on PuO 2 suggest the reaction is influenced by at least three mechanisms: an internal chemical reaction, surface mobility of active species/defects, and surface exchange of gaseous oxygen with lattice oxygen. Activation energies for the surface mobility and internal chemical reaction are presented. Determining which mechanism is dominant appears to be a complex function including at least specific surface area and temperature. Thermal exposure may also impact the oxygen exchange reaction by causing reductions in the specific surface area of PuO 2 . Previous CeO 2 surrogate studies exhibit similar behavior, confirming that CeO 2 is a good qualitative surrogate for PuO 2 , in regards to the oxygen exchange reaction. Comparison of results presented here with previous work on the PuO 2 oxygen exchange reaction allows complexities in the previous work to be explained. These explanations allowed new conclusions to be drawn, many of which confirm the conclusions presented here. - Highlights: • PuO 2 Oxygen exchange kinetics can be influenced by at least 3 different mechanisms. • An internal chemical reaction controls the rate at high temperature and large SSA. • Surface mobility and surface exchange influence rate at lower temperatures and SSA. • Exchange temperatures may alter SSA and make data difficult to interpret.

  11. Development of a Massive, Highly Multiplexible, Phonon-Mediated Particle Detector Using Kinetic Inductance Detectors

    Science.gov (United States)

    Chang, Y.-Y.; Cornell, B.; Aralis, T.; Bumble, B.; Golwala, S. R.

    2018-04-01

    We present a status update on the development of a phonon-mediated particle detector using kinetic inductance detector (KID). The design is intended for O(1) kg substrate, using O(102) KIDs on a single readout line, to image the athermal phonon distribution at energy resolution. The design specification is set by the need to improve position reconstruction fidelity while maintaining low energy threshold for future rare-event searches such as for low-mass dark matter. We report on the design, which shows negligible crosstalk and > 95% inductor current uniformity, using the coplanar waveguide feedline, ground shield, and a new class of KIDs with symmetric coplanar stripline (sCPS) inductor. The multiplexing is designed upon the frequency-geometry relation we develop for the sCPS KIDs. We introduce the fabrications of the Nb RF assessment prototypes and the high phonon collection efficiency Al-Nb devices. We achieve ≲ 0.07% frequency displacement on a 80-KID RF assessment prototype, and the result indicates that we may place more than 180 resonances in our 0.4 GHz readout band with minimal frequency misordering. The coupling quality factors are ˜ 105 as designed. Finally, we update our work in progress in fabricating the O(102) KID, bi-material, O(1) kg detectors, and the expected position and energy resolutions.

  12. Planck 2015 results: VII. High Frequency Instrument data processing: Time-ordered information and beams

    DEFF Research Database (Denmark)

    Adam, R.; Ade, P. A R; Aghanim, N.

    2016-01-01

    The Planck High Frequency Instrument (HFI) has observed the full sky at six frequencies (100, 143, 217, 353, 545, and 857 GHz) in intensity and at four frequencies in linear polarization (100, 143, 217, and 353 GHz). In order to obtain sky maps, the time-ordered information (TOI) containing the d...

  13. Exact Sampling and Decoding in High-Order Hidden Markov Models

    NARCIS (Netherlands)

    Carter, S.; Dymetman, M.; Bouchard, G.

    2012-01-01

    We present a method for exact optimization and sampling from high order Hidden Markov Models (HMMs), which are generally handled by approximation techniques. Motivated by adaptive rejection sampling and heuristic search, we propose a strategy based on sequentially refining a lower-order language

  14. High Order Sliding Mode Control of Doubly-fed Induction Generator under Unbalanced Grid Faults

    DEFF Research Database (Denmark)

    Zhu, Rongwu; Chen, Zhe; Wu, Xiaojie

    2013-01-01

    This paper deals with a doubly-fed induction generator-based (DFIG) wind turbine system under grid fault conditions such as: unbalanced grid voltage, three-phase grid fault, using a high order sliding mode control (SMC). A second order sliding mode controller, which is robust with respect...

  15. J.F. Schouten revisited : pitch of complex tones having many high-order harmonics

    NARCIS (Netherlands)

    Smurzynski, J.; Houtsma, A.J.M.

    1988-01-01

    Four experiments are reported which deal with pitch perception of harmonic complex tones containing many high-order, aurally unresolvable partials. Melodic-interval identilication performance ill the case of sounds with increasing harmonic order remains significantly above chalice level, even if the

  16. Turbulent flame speeds and NOx kinetics of HHC fuels with contaminants and high dilution levels

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Eric; Krejci, Michael; Mathieu, Olivier; Vissotski, Andrew; Ravi, Sankar; Plichta, Drew; Sikes, Travis; Levacque, Anthony; Aul, Christopher; Petersen, Eric

    2012-09-30

    This progress report documents the second year of the project, from October 1, 2011 through September 30, 2012. Characterization of the new turbulent flame speed vessel design was completed. Turbulence statistics of three impellers with different geometric features were measured using particle image velocimetry inside a Plexiglas model (~1:1 scale) of a cylindrical flame speed vessel (30.5 cm ID × 35.6 cm L). With four impellers arranged in a central-symmetric configuration, turbulence intensities between 1.2 and 1.7 m/s with negligible mean flow (0.1u´) were attained at the lowest fan speeds. Acceptable ranges for homogeneity and isotropy ratios of the velocity fields were set within a narrow bandwidth near unity (0.9-1.1). Homogeneity ratios were unaffected by changes to the impeller geometry, and the prototype with the higher number of blades caused the flow to become anisotropic. The integral length scale of the flow fields varied between 27 and 20 mm, which correlates well with those typically observed inside a gas turbine combustor. The mechanism to independently vary the intensity level and the integral length scale was established, where turbulence intensity level was dependent on the rotational speed of the fan, and the integral length scale decreased with increasing blade pitch angle. Ignition delay times of H₂/O₂ mixtures highly diluted with Ar and doped with various amounts of N₂O (100, 400, 1600, 3200 ppm) were measured in a shock tube behind reflected shock waves over a wide range of temperatures (940-1675 K). The pressure range investigated during this work (around 1.6, 13, and 30 atm) allows studying the effect of N₂O on hydrogen ignition at pressure conditions that have never been heretofore investigated. Ignition delay times were decreased when N₂O was added to the mixture only for the higher nitrous oxide concentrations, and some changes in the activation energy were also observed at 1.5 and 30 atm. When it occurred, the decrease in

  17. Kinetics and mechanism of the pressure-induced lamellar order/disorder transition in phosphatidylethanolamine: a time-resolved X-ray diffraction study.

    Science.gov (United States)

    Mencke, A P; Caffrey, M

    1991-03-05

    By using synchrotron radiation, a movie was made of the X-ray scattering pattern from a biological liquid crystal undergoing a phase transition induced by a pressure jump. The system studied includes the fully hydrated phospholipid dihexadecylphosphatidylethanolamine in the lamellar gel (L beta') phase at a temperature of 68 degrees C and a pressure of 9.7 MPa (1400 psig). Following the rapid release of pressure to atmospheric the L beta' phase transforms slowly into the lamellar liquid crystal (L alpha) phase. The pressure perturbation is applied with the intention of producing a sudden phase disequilibrium followed by monitoring the system as it relaxes to its new equilibrium condition. Remarkably, the proportion of sample in the L alpha phase grows linearly with time, taking 37 s to totally consume the L beta' phase. The time dependencies of radius, peak intensity, and width of the powder diffraction ring of the low-angle (001) lamellar reflections were obtained from the movie by image processing. The concept of an "effective pressure" is introduced to account for the temperature variations that accompany the phase transition and to establish that the observed large transit time is indeed intrinsic to the sample and not due to heat exchange with the environment. The reverse transformation, L alpha to L beta', induced by a sudden jump from atmospheric pressure to 9.7 MPa, is complete in less than 13 s. These measurements represent a new approach for studying the kinetics of lipid phase transitions and for gaining insights into the mechanism of the lamellar order/disorder transition.

  18. Developing Student-Centered Learning Model to Improve High Order Mathematical Thinking Ability

    Science.gov (United States)

    Saragih, Sahat; Napitupulu, Elvis

    2015-01-01

    The purpose of this research was to develop student-centered learning model aiming to improve high order mathematical thinking ability of junior high school students of based on curriculum 2013 in North Sumatera, Indonesia. The special purpose of this research was to analyze and to formulate the purpose of mathematics lesson in high order…

  19. 77 FR 37377 - High Pressure Steel Cylinders From the People's Republic of China: Antidumping Duty Order

    Science.gov (United States)

    2012-06-21

    ... DEPARTMENT OF COMMERCE International Trade Administration [A-570-977] High Pressure Steel... Department is issuing an antidumping duty order on high pressure steel cylinders from the People's Republic... determination of material injury to a U.S. industry.\\1\\ \\1\\ See High Pressure Steel Cylinders from China...

  20. 77 FR 37384 - High Pressure Steel Cylinders From the People's Republic of China: Countervailing Duty Order

    Science.gov (United States)

    2012-06-21

    ... DEPARTMENT OF COMMERCE International Trade Administration [C-570-978] High Pressure Steel...''), the Department is issuing a countervailing duty order on high pressure steel cylinders (``steel... investigation of steel cylinders from the PRC. See High Pressure Steel Cylinders From the People's Republic of...

  1. High-order dynamic lattice method for seismic simulation in anisotropic media

    Science.gov (United States)

    Hu, Xiaolin; Jia, Xiaofeng

    2018-03-01

    The discrete particle-based dynamic lattice method (DLM) offers an approach to simulate elastic wave propagation in anisotropic media by calculating the anisotropic micromechanical interactions between these particles based on the directions of the bonds that connect them in the lattice. To build such a lattice, the media are discretized into particles. This discretization inevitably leads to numerical dispersion. The basic lattice unit used in the original DLM only includes interactions between the central particle and its nearest neighbours; therefore, it represents the first-order form of a particle lattice. The first-order lattice suffers from numerical dispersion compared with other numerical methods, such as high-order finite-difference methods, in terms of seismic wave simulation. Due to its unique way of discretizing the media, the particle-based DLM no longer solves elastic wave equations; this means that one cannot build a high-order DLM by simply creating a high-order discrete operator to better approximate a partial derivative operator. To build a high-order DLM, we carry out a thorough dispersion analysis of the method and discover that by adding more neighbouring particles into the lattice unit, the DLM will yield different spatial accuracy. According to the dispersion analysis, the high-order DLM presented here can adapt the requirement of spatial accuracy for seismic wave simulations. For any given spatial accuracy, we can design a corresponding high-order lattice unit to satisfy the accuracy requirement. Numerical tests show that the high-order DLM improves the accuracy of elastic wave simulation in anisotropic media.

  2. Propagation of high-order circularly polarized Bessel beams and vortex generation in uniaxial crystals

    CSIR Research Space (South Africa)

    Belyi, VN

    2011-05-01

    Full Text Available The authors investigate the generation and transformation of Bessel beams through linear and nonlinear optical crystals. They outline the generation of high-order vortices due to propagation of Bessel beams along the optical axis of uniaxial...

  3. High Weak Order Methods for Stochastic Differential Equations Based on Modified Equations

    KAUST Repository

    Abdulle, Assyr; Cohen, David; Vilmart, Gilles; Zygalakis, Konstantinos C.

    2012-01-01

    © 2012 Society for Industrial and Applied Mathematics. Inspired by recent advances in the theory of modified differential equations, we propose a new methodology for constructing numerical integrators with high weak order for the time integration

  4. High-Order Quadratures for the Solution of Scattering Problems in Two Dimensions

    National Research Council Canada - National Science Library

    Duan, Ran; Rokhlin, Vladimir

    2008-01-01

    .... The scheme is based on the combination of high-order quadrature formulae, fast application of integral operators in Lippmann-Schwinger equations, and the stabilized biconjugate gradient method (BI-CGSTAB...

  5. High Order Thinking Skills: Analisis Soal dan Implementasinya dalam Pembelajaran Fisika di Sekolah Menengah Atas

    OpenAIRE

    Siswoyo, Siswoyo; Sunaryo, Sunaryo

    2017-01-01

    Abstract This study investigated the implementation of High Order Thinking Skills in high school physics teaching focused on the analysis of the questions that were developed by teachers in Jakarta. Data obtained in training physics teachers in Jakarta. Teachers followed training on how to develop the learning of physics to develop higher order thinking skills. Then the teachers were asked to develop physics problems test as an instrument measuring tool of learning physics at school. Pro...

  6. The importance of inclusion of kinetic information in the extrapolation of high-to-low concentrations for human limit setting.

    Science.gov (United States)

    Geraets, Liesbeth; Zeilmaker, Marco J; Bos, Peter M J

    2018-01-05

    Human health risk assessment of inhalation exposures generally includes a high-to-low concentration extrapolation. Although this is a common step in human risk assessment, it introduces various uncertainties. One of these uncertainties is related to the toxicokinetics. Many kinetic processes such as absorption, metabolism or excretion can be subject to saturation at high concentration levels. In the presence of saturable kinetic processes of the parent compound or metabolites, disproportionate increases in internal blood or tissue concentration relative to the external concentration administered may occur resulting in nonlinear kinetics. The present paper critically reviews human health risk assessment of inhalation exposure. More specific, it emphasizes the importance of kinetic information for the determination of a safe exposure in human risk assessment of inhalation exposures assessed by conversion from a high animal exposure to a low exposure in humans. For two selected chemicals, i.e. methyl tert-butyl ether and 1,2-dichloroethane, PBTK-modelling was used, for illustrative purposes, to follow the extrapolation and conversion steps as performed in existing risk assessments for these chemicals. Human health-based limit values based on an external dose metric without sufficient knowledge on kinetics might be too high to be sufficiently protective. Insight in the actual internal exposure, the toxic agent, the appropriate dose metric, and whether an effect is related to internal concentration or dose is important. Without this, application of assessment factors on an external dose metric and the conversion to continuous exposure results in an uncertain human health risk assessment of inhalation exposures. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics

    Directory of Open Access Journals (Sweden)

    Mizuho Fushitani

    2016-11-01

    Full Text Available We present applications of extreme ultraviolet (XUV single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N2 molecules.

  8. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics.

    Science.gov (United States)

    Fushitani, Mizuho; Hishikawa, Akiyoshi

    2016-11-01

    We present applications of extreme ultraviolet (XUV) single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I 2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N 2 molecules.

  9. Propagation effects in the generation process of high-order vortex harmonics.

    Science.gov (United States)

    Zhang, Chaojin; Wu, Erheng; Gu, Mingliang; Liu, Chengpu

    2017-09-04

    We numerically study the propagation of a Laguerre-Gaussian beam through polar molecular media via the exact solution of full-wave Maxwell-Bloch equations where the rotating-wave and slowly-varying-envelope approximations are not included. It is found that beyond the coexistence of odd-order and even-order vortex harmonics due to inversion asymmetry of the system, the light propagation effect results in the intensity enhancement of a high-order vortex harmonics. Moreover, the orbital momentum successfully transfers from the fundamental laser driver to the vortex harmonics which topological charger number is directly proportional to its order.

  10. Low-cost removal of organic pollutants with nickel nanoparticle loaded ordered macroporous hydrogel as high performance catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Mingyi, E-mail: tmyi@tjcu.edu.cn [Department of Applied Chemistry, School of Science, Tianjin University of Commerce, Tianjin 300134 (China); Huang, Guanbo, E-mail: gbhuang2007@hotmail.com [Department of Chemistry, School of Science, Tianjin University, Tianjin 300072 (China); Zhang, Sai [Department of Applied Chemistry, School of Science, Tianjin University of Commerce, Tianjin 300134 (China); Liu, Yue [Department of Chemistry, School of Science, Tianjin University, Tianjin 300072 (China); Li, Xianxian [Department of Applied Chemistry, School of Science, Tianjin University of Commerce, Tianjin 300134 (China); Wang, Xingrui [Department of Chemistry, School of Science, Tianjin University, Tianjin 300072 (China); Pang, Xiaobo [Department of Applied Chemistry, School of Science, Tianjin University of Commerce, Tianjin 300134 (China); Qiu, Haixia, E-mail: qhx@tju.edu.cn [Department of Chemistry, School of Science, Tianjin University, Tianjin 300072 (China)

    2014-06-01

    A facile route for the in situ preparation of catalytically active Ni nanoparticles (NPs) in ordered macroporous hydrogel (OMH) has been developed. The hydrogel was fabricated based on polystyrene colloid template. The electronegativity of amide and carboxyl groups on the poly(acrylamide-co-acryl acid) chains of the hydrogel caused strong binding of Ni{sup 2+} ions which made them distribute uniformly inside the hydrogel. When immersed in NaBH{sub 4} aqueous solution, the Ni{sup 2+} ions on the hydrogel were reduced to Ni NPs. The resultant Ni NPs loaded OMH showed good catalytic activity for the reduction of a common organic pollutant, 4-nitrophenol, with NaBH{sub 4}. A kinetic study of the catalytic reaction was carried out. The rate constant per unit weight could reach 0.53 s{sup −1} g{sup −1}, which is much better than many common hydrogel loaded nickel catalysts. Moreover, the current catalyst can be easily separated and recovered with stable catalytic activity. - Highlights: • A new poly(acrylamide-co-acryl acid) hydrogel with ordered macropores. • A simple in situ fabrication of nickel nanoparticles under mild conditions. • High-performance heterogeneous catalyst for removal of nitrophenol from water. • Good recyclability of catalyst without any complicated regeneration process.

  11. Low-cost removal of organic pollutants with nickel nanoparticle loaded ordered macroporous hydrogel as high performance catalyst

    International Nuclear Information System (INIS)

    Tang, Mingyi; Huang, Guanbo; Zhang, Sai; Liu, Yue; Li, Xianxian; Wang, Xingrui; Pang, Xiaobo; Qiu, Haixia

    2014-01-01

    A facile route for the in situ preparation of catalytically active Ni nanoparticles (NPs) in ordered macroporous hydrogel (OMH) has been developed. The hydrogel was fabricated based on polystyrene colloid template. The electronegativity of amide and carboxyl groups on the poly(acrylamide-co-acryl acid) chains of the hydrogel caused strong binding of Ni 2+ ions which made them distribute uniformly inside the hydrogel. When immersed in NaBH 4 aqueous solution, the Ni 2+ ions on the hydrogel were reduced to Ni NPs. The resultant Ni NPs loaded OMH showed good catalytic activity for the reduction of a common organic pollutant, 4-nitrophenol, with NaBH 4 . A kinetic study of the catalytic reaction was carried out. The rate constant per unit weight could reach 0.53 s −1  g −1 , which is much better than many common hydrogel loaded nickel catalysts. Moreover, the current catalyst can be easily separated and recovered with stable catalytic activity. - Highlights: • A new poly(acrylamide-co-acryl acid) hydrogel with ordered macropores. • A simple in situ fabrication of nickel nanoparticles under mild conditions. • High-performance heterogeneous catalyst for removal of nitrophenol from water. • Good recyclability of catalyst without any complicated regeneration process

  12. Guiding of low-energy electrons by highly ordered Al2 O3 nanocapillaries

    DEFF Research Database (Denmark)

    Milosavljević, A.R.; Víkor, G.; Pešić, Z.D.

    2007-01-01

    We report an experimental study of guided transmission of low-energy (200-350 eV) electrons through highly ordered Al2 O3 nanocapillaries with large aspect ratio (140 nm diameter and 15 μm length). The nanochannel array was prepared using self-ordering phenomena during a two-step anodization...... process of a high-purity aluminum foil. The experimental results clearly show the existence of the guiding effect, as found for highly charged ions. The guiding of the electron beam was observed for tilt angles up to 12°. As seen for highly charged ions, the guiding efficiency increases with decreasing...

  13. High order scheme for the non-local transport in ICF plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Feugeas, J.L.; Nicolai, Ph.; Schurtz, G. [Bordeaux-1 Univ., Centre Lasers Intenses et Applications (UMR 5107), 33 - Talence (France); Charrier, P.; Ahusborde, E. [Bordeaux-1 Univ., MAB, 33 - Talence (France)

    2006-06-15

    A high order practical scheme for a model of non-local transport is here proposed to be used in multidimensional radiation hydrodynamic codes. A high order scheme is necessary to solve non-local problems on strongly deformed meshes that are on hot point or ablation front zones. It is shown that the errors made by a classical 5 point scheme on a disturbed grid can be of the same order of magnitude as the non-local effects. The use of a 9 point scheme in a simulation of inertial confinement fusion appears to be essential.

  14. Computational Aero-Acoustic Using High-order Finite-Difference Schemes

    DEFF Research Database (Denmark)

    Zhu, Wei Jun; Shen, Wen Zhong; Sørensen, Jens Nørkær

    2007-01-01

    are solved using the in-house flow solver EllipSys2D/3D which is a second-order finite volume code. The acoustic solution is found by solving the acoustic equations using high-order finite difference schemes. The incompressible flow equations and the acoustic equations are solved at the same time levels......In this paper, a high-order technique to accurately predict flow-generated noise is introduced. The technique consists of solving the viscous incompressible flow equations and inviscid acoustic equations using a incompressible/compressible splitting technique. The incompressible flow equations...

  15. Wave-mixing with high-order harmonics in extreme ultraviolet region

    International Nuclear Information System (INIS)

    Dao, Lap Van; Dinh, Khuong Ba; Le, Hoang Vu; Gaffney, Naylyn; Hannaford, Peter

    2015-01-01

    We report studies of the wave-mixing process in the extreme ultraviolet region with two near-infrared driving and controlling pulses with incommensurate frequencies (at 1400 nm and 800 nm). A non-collinear scheme for the two beams is used in order to spatially separate and to characterise the properties of the high-order wave-mixing field. We show that the extreme ultraviolet frequency mixing can be treated by perturbative, very high-order nonlinear optics; the modification of the wave-packet of the free electron needs to be considered in this process

  16. Variable High Order Multiblock Overlapping Grid Methods for Mixed Steady and Unsteady Multiscale Viscous Flows

    Science.gov (United States)

    Sjogreen, Bjoern; Yee, H. C.

    2007-01-01

    Flows containing steady or nearly steady strong shocks in parts of the flow field, and unsteady turbulence with shocklets on other parts of the flow field are difficult to capture accurately and efficiently employing the same numerical scheme even under the multiblock grid or adaptive grid refinement framework. On one hand, sixth-order or higher shock-capturing methods are appropriate for unsteady turbulence with shocklets. On the other hand, lower order shock-capturing methods are more effective for strong steady shocks in terms of convergence. In order to minimize the shortcomings of low order and high order shock-capturing schemes for the subject flows,a multi- block overlapping grid with different orders of accuracy on different blocks is proposed. Test cases to illustrate the performance of the new solver are included.

  17. Compact high order schemes with gradient-direction derivatives for absorbing boundary conditions

    Science.gov (United States)

    Gordon, Dan; Gordon, Rachel; Turkel, Eli

    2015-09-01

    We consider several compact high order absorbing boundary conditions (ABCs) for the Helmholtz equation in three dimensions. A technique called "the gradient method" (GM) for ABCs is also introduced and combined with the high order ABCs. GM is based on the principle of using directional derivatives in the direction of the wavefront propagation. The new ABCs are used together with the recently introduced compact sixth order finite difference scheme for variable wave numbers. Experiments on problems with known analytic solutions produced very accurate results, demonstrating the efficacy of the high order schemes, particularly when combined with GM. The new ABCs are then applied to the SEG/EAGE Salt model, showing the advantages of the new schemes.

  18. Decomposition of conditional probability for high-order symbolic Markov chains

    Science.gov (United States)

    Melnik, S. S.; Usatenko, O. V.

    2017-07-01

    The main goal of this paper is to develop an estimate for the conditional probability function of random stationary ergodic symbolic sequences with elements belonging to a finite alphabet. We elaborate on a decomposition procedure for the conditional probability function of sequences considered to be high-order Markov chains. We represent the conditional probability function as the sum of multilinear memory function monomials of different orders (from zero up to the chain order). This allows us to introduce a family of Markov chain models and to construct artificial sequences via a method of successive iterations, taking into account at each step increasingly high correlations among random elements. At weak correlations, the memory functions are uniquely expressed in terms of the high-order symbolic correlation functions. The proposed method fills the gap between two approaches, namely the likelihood estimation and the additive Markov chains. The obtained results may have applications for sequential approximation of artificial neural network training.

  19. Tumor Classification Using High-Order Gene Expression Profiles Based on Multilinear ICA

    Directory of Open Access Journals (Sweden)

    Ming-gang Du

    2009-01-01

    Full Text Available Motivation. Independent Components Analysis (ICA maximizes the statistical independence of the representational components of a training gene expression profiles (GEP ensemble, but it cannot distinguish relations between the different factors, or different modes, and it is not available to high-order GEP Data Mining. In order to generalize ICA, we introduce Multilinear-ICA and apply it to tumor classification using high order GEP. Firstly, we introduce the basis conceptions and operations of tensor and recommend Support Vector Machine (SVM classifier and Multilinear-ICA. Secondly, the higher score genes of original high order GEP are selected by using t-statistics and tabulate tensors. Thirdly, the tensors are performed by Multilinear-ICA. Finally, the SVM is used to classify the tumor subtypes. Results. To show the validity of the proposed method, we apply it to tumor classification using high order GEP. Though we only use three datasets, the experimental results show that the method is effective and feasible. Through this survey, we hope to gain some insight into the problem of high order GEP tumor classification, in aid of further developing more effective tumor classification algorithms.

  20. High-order FDTD methods via derivative matching for Maxwell's equations with material interfaces

    International Nuclear Information System (INIS)

    Zhao Shan; Wei, G.W.

    2004-01-01

    This paper introduces a series of novel hierarchical implicit derivative matching methods to restore the accuracy of high-order finite-difference time-domain (FDTD) schemes of computational electromagnetics (CEM) with material interfaces in one (1D) and two spatial dimensions (2D). By making use of fictitious points, systematic approaches are proposed to locally enforce the physical jump conditions at material interfaces in a preprocessing stage, to arbitrarily high orders of accuracy in principle. While often limited by numerical instability, orders up to 16 and 12 are achieved, respectively, in 1D and 2D. Detailed stability analyses are presented for the present approach to examine the upper limit in constructing embedded FDTD methods. As natural generalizations of the high-order FDTD schemes, the proposed derivative matching methods automatically reduce to the standard FDTD schemes when the material interfaces are absent. An interesting feature of the present approach is that it encompasses a variety of schemes of different orders in a single code. Another feature of the present approach is that it can be robustly implemented with other high accuracy time-domain approaches, such as the multiresolution time-domain method and the local spectral time-domain method, to cope with material interfaces. Numerical experiments on both 1D and 2D problems are carried out to test the convergence, examine the stability, access the efficiency, and explore the limitation of the proposed methods. It is found that operating at their best capacity, the proposed high-order schemes could be over 2000 times more efficient than their fourth-order versions in 2D. In conclusion, the present work indicates that the proposed hierarchical derivative matching methods might lead to practical high-order schemes for numerical solution of time-domain Maxwell's equations with material interfaces

  1. HIGHLY PRECISE APPROXIMATION OF FREE SURFACE GREEN FUNCTION AND ITS HIGH ORDER DERIVATIVES BASED ON REFINED SUBDOMAINS

    Directory of Open Access Journals (Sweden)

    Jiameng Wu

    2018-01-01

    Full Text Available The infinite depth free surface Green function (GF and its high order derivatives for diffraction and radiation of water waves are considered. Especially second order derivatives are essential requirements in high-order panel method. In this paper, concerning the classical representation, composed of a semi-infinite integral involving a Bessel function and a Cauchy singularity, not only the GF and its first order derivatives but also second order derivatives are derived from four kinds of analytical series expansion and refined division of whole calculation domain. The approximations of special functions, particularly the hypergeometric function and the algorithmic applicability with different subdomains are implemented. As a result, the computation accuracy can reach 10-9 in whole domain compared with conventional methods based on direct numerical integration. Furthermore, numerical efficiency is almost equivalent to that with the classical method.

  2. High-temperature oxidation kinetics of sponge-based E110 cladding alloy

    Science.gov (United States)

    Yan, Yong; Garrison, Benton E.; Howell, Mike; Bell, Gary L.

    2018-02-01

    Two-sided oxidation experiments were recently conducted at 900°C-1200 °C in flowing steam with samples of sponge-based Zr-1Nb alloy E110. Although the old electrolytic E110 tubing exhibited a high degree of susceptibility to nodular corrosion and experienced breakaway oxidation rates in a relatively short time, the new sponge-based E110 demonstrated steam oxidation behavior comparable to Zircaloy-4. Sample weight gain and oxide layer thickness measurements were performed on oxidized E110 specimens and compared to oxygen pickup and oxide layer thickness calculations using the Cathcart-Pawel correlation. Our study shows that the sponge-based E110 follows the parabolic law at temperatures above 1015 °C. At or below 1015 °C, the oxidation rate was very low when compared to Zircaloy-4 and can be represented by a cubic expression. No breakaway oxidation was observed at 1000 °C for oxidation times up to 10,000 s. Arrhenius expressions are given to describe the parabolic rate constants at temperatures above 1015 °C and cubic rate constants are provided for temperatures below 1015 °C. The weight gains calculated by our equations are in excellent agreement with the measured sample weight gains at all test temperatures. In addition to the as-fabricated E110 cladding sample, prehydrided E110 cladding with hydrogen concentrations in the 100-150 wppm range was also investigated. The effect of hydrogen content on sponge-based E110 oxidation kinetics was minimal. No significant difference was found between as-fabricated and hydrided samples with regard to oxygen pickup and oxide layer thickness for hydrogen contents below 150 wppm.

  3. Analysis of senior high school student understanding on gas kinetic theory material

    Science.gov (United States)

    Anri, Y.; Maknun, J.; Chandra, D. T.

    2018-05-01

    The purpose of this research conducted to find out student understanding profile about gas kinetic theory. Particularly, on ideal gas law material, ideal gas equations and kinetic energy of ideal gas. This research was conducted on student of class XII in one of the schools in Bandung. This research is a descriptive research. The data of this research collected by using test instrument which was the essay that has been developed by the researcher based on Bloom’s Taxonomy revised. Based on the analysis result to student answer, this research discovered that whole student has low understanding in the material of gas kinetic theory. This low understanding caused of the misconception of the student, student attitude on physic subjects, and teacher teaching method who are less helpful in obtaining clear pictures in material being taught.

  4. Perrhenate sorption kinetics in zerovalent iron in high pH and nitrate media

    Energy Technology Data Exchange (ETDEWEB)

    Lenell, Brian A.; Arai, Yuji, E-mail: yarai@illinois.edu

    2017-01-05

    Graphical abstract: Ammonium adsorption enhanced ReO{sub 4}{sup −} adsorption in ZVI under alkaline conditions (modified from Cho et al., 2015) [39]. - Highlights: • ZVI effectively sorbs Re(VII) at near neutral pH. • Sorption of Re(VII) in ZVI is attributed to the reductive precipitation of Re(IV)O{sub 2}. • The extent of Re(VII) sorption in ZVI decreases with increasing pH from 8 to 10. • The rate of Re(VII) sorption in ZVI increases with increasing nitrate concentration. - Abstract: Technetium(Tc)-99 is one of major risk drivers in low level radioactive liquid waste at the U.S. Department of Energy sites. Cementitious waste technology (CWT) has been considered immobilizing pertechnetate, Tc(VII)O{sub 4}{sup −}, in brine and alkaline waste solutions, as Tc(IV) oxides and/or sulfides with the use of reducing agents like slag. In this study, zero valent iron (ZVI) was evaluated as a potential reducing agent in CWT as a function of pH and [nitrate] (0–0.1 M) using perrhenate, Re(VII)O{sub 4}{sup −}, as an analogue for Tc(VII)O{sub 4}{sup −}. Batch Re(VII)O{sub 4}{sup −} sorption experiments in conjunction with X-ray absorption spectroscopic analysis showed that the Re(VII) sorption occurred via the reductive precipitation of Re(IV)O{sub 2}(s) and the extent of sorption decreased with increasing pH from 8 to 10. Interestingly, pseudo 2nd order kinetic rates increased with increasing [nitrate] which was attributed to co-adsorption of NH{sub 4}{sup +} (i.e., a reaction product of reduced nitrate by ZVI), facilitating electrostatic attraction towards ReO{sub 4}{sup −} under alkaline conditions. Considering the thermodynamically favorable reduction of Tc(VII) over Re(VII), ZVI might have potential for improving the reduction capacity of the current CWT.

  5. Use of high temperature thermogravimetry for the determination of oxidation, reduction, corrosion-type reactions kinetics

    International Nuclear Information System (INIS)

    Benoist, Luc; Bancel, Fabrice; Setaram

    2002-01-01

    Full text.Thermogravimetry is a very powerful technique for the investigation of gas-solid interactions, by measuring the amount of gas adsorbed on the sample or desorbed from the sample. According to the type of interaction, this amount of gas can be very small, that means that the detection of the mass variation can be very difficult to achieve. This is especially the case for certain types of oxidation, reduction and corrosion reactions in the field of metallic and ceramic materials. The good configuration for such kinetic studies is a hanged up sample, to get every face of the sample in contact with the atmosphere. In order to improve the thermogravimetric measurement, two ways can be used: increase the sample mass and especially its area, second use a symmetrical balance. As the gas-solid interaction is adsorption or desorption-type, the area of the sample is one very important parameter. For such a determination, it is important to increase as much as possible this area, that means increasing the sample size and mass. By increasing the contact area for the gas interaction, the accuracy of such a thermogravimetric measurement is largely improved. This design is very convenient for any metallic or ceramic sample that can be directly hung to the balance, without using any container. The second way of improving the test is to use a symmetrical thermogravimetric design. If the variation of mass is too weak to be measured (some micrograms for example), a symmetrical design has to be used. In such a system, a sample and a reference are hung at each beam of the balance, in two identical furnaces. Such a symmetrical technique allows to compensate the buoyancy effect that is identical on both sides. The limit of detection of the thermogravimetric measure is largely improved, allowing accurate measurements on very small variations of mass for long term basis experiments. An example of oxidation of a plate of steel at 500 celsius degree, with a slow mass gain of 1.5

  6. Phase matching of high-order harmonics in a semi-infinite gas cell

    International Nuclear Information System (INIS)

    Steingrube, Daniel S.; Vockerodt, Tobias; Schulz, Emilia; Morgner, Uwe; Kovacev, Milutin

    2009-01-01

    Phase matching of high-order harmonic generation is investigated experimentally for various parameters in a semi-infinite gas-cell (SIGC) geometry. The optimized harmonic yield is identified using two different noble gases (Xe and He) and its parameter dependence is studied in a systematic way. Beside the straightforward setup of the SIGC, this geometry promises a high photon flux due to a large interaction region. Moreover, since the experimental parameters within this cell are known accurately, direct comparison to simulations is performed. Spectral splitting and blueshift of high-order harmonics are observed.

  7. High order curvilinear finite elements for elastic–plastic Lagrangian dynamics

    International Nuclear Information System (INIS)

    Dobrev, Veselin A.; Kolev, Tzanio V.; Rieben, Robert N.

    2014-01-01

    This paper presents a high-order finite element method for calculating elastic–plastic flow on moving curvilinear meshes and is an extension of our general high-order curvilinear finite element approach for solving the Euler equations of gas dynamics in a Lagrangian frame [1,2]. In order to handle transition to plastic flow, we formulate the stress–strain relation in rate (or incremental) form and augment our semi-discrete equations for Lagrangian hydrodynamics with an additional evolution equation for the deviatoric stress which is valid for arbitrary order spatial discretizations of the kinematic and thermodynamic variables. The semi-discrete equation for the deviatoric stress rate is developed for 2D planar, 2D axisymmetric and full 3D geometries. For each case, the strain rate is approximated via a collocation method at zone quadrature points while the deviatoric stress is approximated using an L 2 projection onto the thermodynamic basis. We apply high order, energy conserving, explicit time stepping methods to the semi-discrete equations to develop the fully discrete method. We conclude with numerical results from an extensive series of verification tests that demonstrate several practical advantages of using high-order finite elements for elastic–plastic flow

  8. The kinetic energy of the vortex and pinning force in high-temperature superconductors

    International Nuclear Information System (INIS)

    Boiko, J.; Khar'kovskij Gosudarstvennyj Univ.; Majewski, P.; Aldinger, F.

    1995-01-01

    It is known that the total magnetic energy of the vortex consists of two parts: the kinetic energy, E k , which is connected with the supercurrents which circulate around the vortex, and its own magnetic energy, E mo , which is connected with the real magnetic field. Therefore, the characteristic linear spacing which corresponds to the maximum change of the kinetic energy is not related with the magnetic penetration depth, λ, but with another characteristic spacing R. Considering this fact, the idea of the nature of F p of different defects which are greater than ξ, but smaller than λ, can be modified. (orig.)

  9. Solving nonlinear, High-order partial differential equations using a high-performance isogeometric analysis framework

    KAUST Repository

    Cortes, Adriano Mauricio; Vignal, Philippe; Sarmiento, Adel; Garcí a, Daniel O.; Collier, Nathan; Dalcin, Lisandro; Calo, Victor M.

    2014-01-01

    In this paper we present PetIGA, a high-performance implementation of Isogeometric Analysis built on top of PETSc. We show its use in solving nonlinear and time-dependent problems, such as phase-field models, by taking advantage of the high-continuity of the basis functions granted by the isogeometric framework. In this work, we focus on the Cahn-Hilliard equation and the phase-field crystal equation.

  10. Nodal DG-FEM solution of high-order Boussinesq-type equations

    DEFF Research Database (Denmark)

    Engsig-Karup, Allan Peter; Hesthaven, Jan S.; Bingham, Harry B.

    2006-01-01

    We present a discontinuous Galerkin finite element method (DG-FEM) solution to a set of high-order Boussinesq-type equations for modelling highly nonlinear and dispersive water waves in one and two horizontal dimensions. The continuous equations are discretized using nodal polynomial basis...... functions of arbitrary order in space on each element of an unstructured computational domain. A fourth order explicit Runge-Kutta scheme is used to advance the solution in time. Methods for introducing artificial damping to control mild nonlinear instabilities are also discussed. The accuracy...... and convergence of the model with both h (grid size) and p (order) refinement are verified for the linearized equations, and calculations are provided for two nonlinear test cases in one horizontal dimension: harmonic generation over a submerged bar; and reflection of a steep solitary wave from a vertical wall...

  11. High order aberrations calculation of a hexapole corrector using a differential algebra method

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Yongfeng, E-mail: yfkang@mail.xjtu.edu.cn [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi' an Jiaotong University, Xi' an 710049 (China); Liu, Xing [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi' an Jiaotong University, Xi' an 710049 (China); Zhao, Jingyi, E-mail: jingyi.zhao@foxmail.com [School of Science, Chang’an University, Xi’an 710064 (China); Tang, Tiantong [Key Laboratory for Physical Electronics and Devices of the Ministry of Education, Xi' an Jiaotong University, Xi' an 710049 (China)

    2017-02-21

    A differential algebraic (DA) method is proved as an unusual and effective tool in numerical analysis. It implements conveniently differentiation up to arbitrary high order, based on the nonstandard analysis. In this paper, the differential algebra (DA) method has been employed to compute the high order aberrations up to the fifth order of a practical hexapole corrector including round lenses and hexapole lenses. The program has been developed and tested as well. The electro-magnetic fields of arbitrary point are obtained by local analytic expressions, then field potentials are transformed into new forms which can be operated in the DA calculation. In this paper, the geometric and chromatic aberrations up to fifth order of a practical hexapole corrector system are calculated by the developed program.

  12. A compatible high-order meshless method for the Stokes equations with applications to suspension flows

    Science.gov (United States)

    Trask, Nathaniel; Maxey, Martin; Hu, Xiaozhe

    2018-02-01

    A stable numerical solution of the steady Stokes problem requires compatibility between the choice of velocity and pressure approximation that has traditionally proven problematic for meshless methods. In this work, we present a discretization that couples a staggered scheme for pressure approximation with a divergence-free velocity reconstruction to obtain an adaptive, high-order, finite difference-like discretization that can be efficiently solved with conventional algebraic multigrid techniques. We use analytic benchmarks to demonstrate equal-order convergence for both velocity and pressure when solving problems with curvilinear geometries. In order to study problems in dense suspensions, we couple the solution for the flow to the equations of motion for freely suspended particles in an implicit monolithic scheme. The combination of high-order accuracy with fully-implicit schemes allows the accurate resolution of stiff lubrication forces directly from the solution of the Stokes problem without the need to introduce sub-grid lubrication models.

  13. Dependence of high order harmonics intensity on laser focal spot position in preformed plasma plumes

    International Nuclear Information System (INIS)

    Singhal, H.; Ganeev, R.; Naik, P. A.; Arora, V.; Chakravarty, U.; Gupta, P. D.

    2008-01-01

    The dependence of the high-order harmonic intensity on the laser focal spot position in laser produced plasma plumes is experimentally studied. High order harmonics up to the 59th order (λ∼13.5 nm) were generated by focusing 48 fs laser pulses from a Ti:sapphire laser system in silver plasma plume produced using 300 ps uncompressed laser radiation as the prepulse. The intensity of harmonics nearly vanished when the best focus was located in the plume center, whereas it peaked on either side with unequal intensity. The focal spot position corresponding to the peak harmonic intensity moved away from the plume center for higher order harmonics. The results are explained in terms of the variation of phase mismatch between the driving laser beam and harmonics radiation produced, relativistic drift of electrons, and defocusing effect due to radial ionization gradient in the plasma for different focal spot positions

  14. High-order diffraction gratings for high-power semiconductor lasers

    International Nuclear Information System (INIS)

    Vasil’eva, V. V.; Vinokurov, D. A.; Zolotarev, V. V.; Leshko, A. Yu.; Petrunov, A. N.; Pikhtin, N. A.; Rastegaeva, M. G.; Sokolova, Z. N.; Shashkin, I. S.; Tarasov, I. S.

    2012-01-01

    A deep diffraction grating with a large period (∼2 μm) within one of the cladding layers is proposed for the implementation of selective feedback in a semiconductor laser. Frequency dependences of reflectance in the 12th diffraction order for rectangular, triangular, and trapezoidal diffraction gratings are calculated. It is shown that the maximum reflectance of the waveguide mode is attained using a rectangular or trapezoidal grating ∼2 μm deep in the laser structure. Deep trapezoidal diffraction gratings with large periods are fabricated in the Al 0.3 Ga 0.7 As cladding layer of a GaAs/AlGaAs laser structure using photolithography and reactive ion etching.

  15. Further results on global state feedback stabilization of nonlinear high-order feedforward systems.

    Science.gov (United States)

    Xie, Xue-Jun; Zhang, Xing-Hui

    2014-03-01

    In this paper, by introducing a combined method of sign function, homogeneous domination and adding a power integrator, and overcoming several troublesome obstacles in the design and analysis, the problem of state feedback control for a class of nonlinear high-order feedforward systems with the nonlinearity's order being relaxed to an interval rather than a fixed point is solved. Copyright © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

  16. Highly ordered FEPT and FePd magnetic nano-structures: Correlated structural and magnetic studies

    International Nuclear Information System (INIS)

    Lukaszew, Rosa Alejandra; Cebollada, Alfonso; Clavero, Cesar; Garcia-Martin, Jose Miguel

    2006-01-01

    The micro-structure of epitaxial FePt and FePd films grown on MgO (0 0 1) substrates is correlated to their magnetic behavior. The FePd films exhibit high chemical ordering and perpendicular magnetic anisotropy. On the other hand FePt films exhibit low chemical ordering, with nano-grains oriented in two orthogonal directions, forcing the magnetization to remain in the plane of the films

  17. A high-order q-difference equation for q-Hahn multiple orthogonal polynomials

    DEFF Research Database (Denmark)

    Arvesú, J.; Esposito, Chiara

    2012-01-01

    A high-order linear q-difference equation with polynomial coefficients having q-Hahn multiple orthogonal polynomials as eigenfunctions is given. The order of the equation coincides with the number of orthogonality conditions that these polynomials satisfy. Some limiting situations when are studie....... Indeed, the difference equation for Hahn multiple orthogonal polynomials given in Lee [J. Approx. Theory (2007), ), doi: 10.1016/j.jat.2007.06.002] is obtained as a limiting case....

  18. Entropy Viscosity Method for High-Order Approximations of Conservation Laws

    KAUST Repository

    Guermond, J. L.

    2010-09-17

    A stabilization technique for conservation laws is presented. It introduces in the governing equations a nonlinear dissipation function of the residual of the associated entropy equation and bounded from above by a first order viscous term. Different two-dimensional test cases are simulated - a 2D Burgers problem, the "KPP rotating wave" and the Euler system - using high order methods: spectral elements or Fourier expansions. Details on the tuning of the parameters controlling the entropy viscosity are given. © 2011 Springer.

  19. High order P-G finite elements for convection-dominated problems

    International Nuclear Information System (INIS)

    Carmo, E.D. do; Galeao, A.C.

    1989-06-01

    From the error analysis presented in this paper it is shown that de CCAU method derived by Dutra do Carmo and Galeao [3] preserves the same order of approximation obtained with SUPH (cf. Books and Hughes [2]) when advection-diffusion regular solutions are considered, and improves the accuracy of the approximate boundary layer solution when high order interpolating polynomials are used near sharp layers [pt

  20. High temperature color conductivity at next-to-leading log order

    International Nuclear Information System (INIS)

    Arnold, Peter; Yaffe, Laurence G.

    2000-01-01

    The non-Abelian analogue of electrical conductivity at high temperature has previously been known only at leading logarithmic order -- that is, neglecting effects suppressed only by an inverse logarithm of the gauge coupling. We calculate the first sub-leading correction. This has immediate application to improving, to next-to-leading log order, both effective theories of non-perturbative color dynamics, and calculations of the hot electroweak baryon number violation rate

  1. Entropy Viscosity Method for High-Order Approximations of Conservation Laws

    KAUST Repository

    Guermond, J. L.; Pasquetti, R.

    2010-01-01

    A stabilization technique for conservation laws is presented. It introduces in the governing equations a nonlinear dissipation function of the residual of the associated entropy equation and bounded from above by a first order viscous term. Different two-dimensional test cases are simulated - a 2D Burgers problem, the "KPP rotating wave" and the Euler system - using high order methods: spectral elements or Fourier expansions. Details on the tuning of the parameters controlling the entropy viscosity are given. © 2011 Springer.

  2. High-Order Hyperbolic Residual-Distribution Schemes on Arbitrary Triangular Grids

    Science.gov (United States)

    Mazaheri, Alireza; Nishikawa, Hiroaki

    2015-01-01

    In this paper, we construct high-order hyperbolic residual-distribution schemes for general advection-diffusion problems on arbitrary triangular grids. We demonstrate that the second-order accuracy of the hyperbolic schemes can be greatly improved by requiring the scheme to preserve exact quadratic solutions. We also show that the improved second-order scheme can be easily extended to third-order by further requiring the exactness for cubic solutions. We construct these schemes based on the LDA and the SUPG methodology formulated in the framework of the residual-distribution method. For both second- and third-order-schemes, we construct a fully implicit solver by the exact residual Jacobian of the second-order scheme, and demonstrate rapid convergence of 10-15 iterations to reduce the residuals by 10 orders of magnitude. We demonstrate also that these schemes can be constructed based on a separate treatment of the advective and diffusive terms, which paves the way for the construction of hyperbolic residual-distribution schemes for the compressible Navier-Stokes equations. Numerical results show that these schemes produce exceptionally accurate and smooth solution gradients on highly skewed and anisotropic triangular grids, including curved boundary problems, using linear elements. We also present Fourier analysis performed on the constructed linear system and show that an under-relaxation parameter is needed for stabilization of Gauss-Seidel relaxation.

  3. Effective high-order solver with thermally perfect gas model for hypersonic heating prediction

    International Nuclear Information System (INIS)

    Jiang, Zhenhua; Yan, Chao; Yu, Jian; Qu, Feng; Ma, Libin

    2016-01-01

    Highlights: • Design proper numerical flux for thermally perfect gas. • Line-implicit LUSGS enhances efficiency without extra memory consumption. • Develop unified framework for both second-order MUSCL and fifth-order WENO. • The designed gas model can be applied to much wider temperature range. - Abstract: Effective high-order solver based on the model of thermally perfect gas has been developed for hypersonic heat transfer computation. The technique of polynomial curve fit coupling to thermodynamics equation is suggested to establish the current model and particular attention has been paid to the design of proper numerical flux for thermally perfect gas. We present procedures that unify five-order WENO (Weighted Essentially Non-Oscillatory) scheme in the existing second-order finite volume framework and a line-implicit method that improves the computational efficiency without increasing memory consumption. A variety of hypersonic viscous flows are performed to examine the capability of the resulted high order thermally perfect gas solver. Numerical results demonstrate its superior performance compared to low-order calorically perfect gas method and indicate its potential application to hypersonic heating predictions for real-life problem.

  4. Investigating High-School Chemical Kinetics: The Greek Chemistry Textbook and Students' Difficulties

    Science.gov (United States)

    Gegios, Theodoros; Salta, Katerina; Koinis, Spyros

    2017-01-01

    In this study we present an analysis of how the structure and content of the Greek school textbook approaches the concepts of chemical kinetics, and an investigation of the difficulties that 11th grade Greek students face regarding these concepts. Based on the structure and content of the Greek textbook, a tool was developed and applied to…

  5. Kinetic energy spectra, vertical resolution and dissipation in high-resolution atmospheric simulations.

    Science.gov (United States)

    Skamarock, W. C.

    2017-12-01

    We have performed week-long full-physics simulations with the MPAS global model at 15 km cell spacing using vertical mesh spacings of 800, 400, 200 and 100 meters in the mid-troposphere through the mid-stratosphere. We find that the horizontal kinetic energy spectra in the upper troposphere and stratosphere does not converge with increasing vertical resolution until we reach 200 meter level spacing. Examination of the solutions indicates that significant inertia-gravity waves are not vertically resolved at the lower vertical resolutions. Diagnostics from the simulations indicate that the primary kinetic energy dissipation results from the vertical mixing within the PBL parameterization and from the gravity-wave drag parameterization, with smaller but significant contributions from damping in the vertical transport scheme and from the horizontal filters in the dynamical core. Most of the kinetic energy dissipation in the free atmosphere occurs within breaking mid-latitude baroclinic waves. We will briefly review these results and their implications for atmospheric model configuration and for atmospheric dynamics, specifically that related to the dynamics associated with the mesoscale kinetic energy spectrum.

  6. Development of a three-dimensional high-order strand-grids approach

    Science.gov (United States)

    Tong, Oisin

    Development of a novel high-order flux correction method on strand grids is presented. The method uses a combination of flux correction in the unstructured plane and summation-by-parts operators in the strand direction to achieve high-fidelity solutions. Low-order truncation errors are cancelled with accurate flux and solution gradients in the flux correction method, thereby achieving a formal order of accuracy of 3, although higher orders are often obtained, especially for highly viscous flows. In this work, the scheme is extended to high-Reynolds number computations in both two and three dimensions. Turbulence closure is achieved with a robust version of the Spalart-Allmaras turbulence model that accommodates negative values of the turbulence working variable, and the Menter SST turbulence model, which blends the k-epsilon and k-o turbulence models for better accuracy. A major advantage of this high-order formulation is the ability to implement traditional finite volume-like limiters to cleanly capture shocked and discontinuous flows. In this work, this approach is explored via a symmetric limited positive (SLIP) limiter. Extensive verification and validation is conducted in two and three dimensions to determine the accuracy and fidelity of the scheme for a number of different cases. Verification studies show that the scheme achieves better than third order accuracy for low and high-Reynolds number flows. Cost studies show that in three-dimensions, the third-order flux correction scheme requires only 30% more walltime than a traditional second-order scheme on strand grids to achieve the same level of convergence. In order to overcome meshing issues at sharp corners and other small-scale features, a unique approach to traditional geometry, coined "asymptotic geometry," is explored. Asymptotic geometry is achieved by filtering out small-scale features in a level set domain through min/max flow. This approach is combined with a curvature based strand shortening

  7. High-order conservative discretizations for some cases of the rigid body motion

    International Nuclear Information System (INIS)

    Kozlov, Roman

    2008-01-01

    Modified vector fields can be used to construct high-order structure-preserving numerical integrators for ordinary differential equations. In the present Letter we consider high-order integrators based on the implicit midpoint rule, which conserve quadratic first integrals. It is shown that these integrators are particularly suitable for the rigid body motion with an additional quadratic first integral. In this case high-order integrators preserve all four first integrals of motion. The approach is illustrated on the Lagrange top (a rotationally symmetric rigid body with a fixed point on the symmetry axis). The equations of motion are considered in the space fixed frame because in this frame Lagrange top admits a neat description. The Lagrange top motion includes the spherical pendulum and the planar pendulum, which swings in a vertical plane, as particular cases

  8. High-order harmonic propagation in gases within the discrete dipole approximation

    International Nuclear Information System (INIS)

    Hernandez-Garcia, C.; Perez-Hernandez, J. A.; Ramos, J.; Jarque, E. Conejero; Plaja, L.; Roso, L.

    2010-01-01

    We present an efficient approach for computing high-order harmonic propagation based on the discrete dipole approximation. In contrast with other approaches, our strategy is based on computing the total field as the superposition of the driving field with the field radiated by the elemental emitters of the sample. In this way we avoid the numerical integration of the wave equation, as Maxwell's equations have an analytical solution for an elementary (pointlike) emitter. The present strategy is valid for low-pressure gases interacting with strong fields near the saturation threshold (i.e., partially ionized), which is a common situation in the experiments of high-order harmonic generation. We use this tool to study the dependence of phase matching of high-order harmonics with the relative position between the beam focus and the gas jet.

  9. Directional enhancement of selected high-order-harmonics from intense laser irradiated blazed grating targets.

    Science.gov (United States)

    Zhang, Guobo; Chen, Min; Liu, Feng; Yuan, Xiaohui; Weng, Suming; Zheng, Jun; Ma, Yanyun; Shao, Fuqiu; Sheng, Zhengming; Zhang, Jie

    2017-10-02

    Relativistically intense laser solid target interaction has been proved to be a promising way to generate high-order harmonics, which can be used to diagnose ultrafast phenomena. However, their emission direction and spectra still lack tunability. Based upon two-dimensional particle-in-cell simulations, we show that directional enhancement of selected high-order-harmonics can be realized using blazed grating targets. Such targets can select harmonics with frequencies being integer times of the grating frequency. Meanwhile, the radiation intensity and emission area of the harmonics are increased. The emission direction is controlled by tailoring the local blazed structure. Theoretical and electron dynamics analysis for harmonics generation, selection and directional enhancement from the interaction between multi-cycle laser and grating target are carried out. These studies will benefit the generation and application of laser plasma-based high order harmonics.

  10. Polarization control of high order harmonics in the EUV photon energy range.

    Science.gov (United States)

    Vodungbo, Boris; Barszczak Sardinha, Anna; Gautier, Julien; Lambert, Guillaume; Valentin, Constance; Lozano, Magali; Iaquaniello, Grégory; Delmotte, Franck; Sebban, Stéphane; Lüning, Jan; Zeitoun, Philippe

    2011-02-28

    We report the generation of circularly polarized high order harmonics in the extreme ultraviolet range (18-27 nm) from a linearly polarized infrared laser (40 fs, 0.25 TW) focused into a neon filled gas cell. To circularly polarize the initially linearly polarized harmonics we have implemented a four-reflector phase-shifter. Fully circularly polarized radiation has been obtained with an efficiency of a few percents, thus being significantly more efficient than currently demonstrated direct generation of elliptically polarized harmonics. This demonstration opens up new experimental capabilities based on high order harmonics, for example, in biology and materials science. The inherent femtosecond time resolution of high order harmonic generating table top laser sources renders these an ideal tool for the investigation of ultrafast magnetization dynamics now that the magnetic circular dichroism at the absorption M-edges of transition metals can be exploited.

  11. Giant Faraday Rotation of High-Order Plasmonic Modes in Graphene-Covered Nanowires.

    Science.gov (United States)

    Kuzmin, Dmitry A; Bychkov, Igor V; Shavrov, Vladimir G; Temnov, Vasily V

    2016-07-13

    Plasmonic Faraday rotation in nanowires manifests itself in the rotation of the spatial intensity distribution of high-order surface plasmon polariton (SPP) modes around the nanowire axis. Here we predict theoretically the giant Faraday rotation for SPPs propagating on graphene-coated magneto-optically active nanowires. Upon the reversal of the external magnetic field pointing along the nanowire axis some high-order plasmonic modes may be rotated by up to ∼100° on the length scale of about 500 nm at mid-infrared frequencies. Tuning the carrier concentration in graphene by chemical doping or gate voltage allows for controlling SPP-properties and notably the rotation angle of high-order azimuthal modes. Our results open the door to novel plasmonic applications ranging from nanowire-based Faraday isolators to the magnetic control in quantum-optical applications.

  12. Enhancement of high-order harmonic generation in the presence of noise

    Energy Technology Data Exchange (ETDEWEB)

    Yavuz, I; Altun, Z [Department of Physics, Marmara University, 34722 Ziverbey, Istanbul (Turkey); Topcu, T, E-mail: ilhan.yavuz@marmara.edu.tr [Department of Physics, Auburn University, AL 36849-5311 (United States)

    2011-07-14

    We report on our simulations of the generation of high-order harmonics from atoms driven by an intense femtosecond laser field in the presence of noise. We numerically solve the non-perturbative stochastic time-dependent Schroedinger equation and observe how varying noise levels affect the frequency components of the high harmonic spectrum. Our calculations show that when an optimum amount of noise is present in the driving laser field, roughly a factor of 45 net enhancement can be achieved in high-order harmonic yield, especially, around the cut-off region. We observe that, for a relatively weak noise, the enhancement mechanism is sensitive to the carrier-envelope phase. We also investigate the possibility of generating ultra-short intense attosecond pulses by combining the laser field and noise and observe that a roughly four orders of magnitude enhanced isolated attosecond burst can be generated.

  13. Enhancement of high-order harmonic generation in the presence of noise

    International Nuclear Information System (INIS)

    Yavuz, I; Altun, Z; Topcu, T

    2011-01-01

    We report on our simulations of the generation of high-order harmonics from atoms driven by an intense femtosecond laser field in the presence of noise. We numerically solve the non-perturbative stochastic time-dependent Schroedinger equation and observe how varying noise levels affect the frequency components of the high harmonic spectrum. Our calculations show that when an optimum amount of noise is present in the driving laser field, roughly a factor of 45 net enhancement can be achieved in high-order harmonic yield, especially, around the cut-off region. We observe that, for a relatively weak noise, the enhancement mechanism is sensitive to the carrier-envelope phase. We also investigate the possibility of generating ultra-short intense attosecond pulses by combining the laser field and noise and observe that a roughly four orders of magnitude enhanced isolated attosecond burst can be generated.

  14. Highly ordered three-dimensional macroporous carbon spheres for determination of heavy metal ions

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yuxiao; Zhang, Jianming [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China); Liu, Yang, E-mail: yangl@suda.edu.cn [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China); Huang, Hui [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China); Kang, Zhenhui, E-mail: zhkang@suda.edu.cn [Institute of Functional Nano and Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer Highly ordered three dimensional macroporous carbon spheres (MPCSs) were prepared. Black-Right-Pointing-Pointer MPCS was covalently modified by cysteine (MPCS-CO-Cys). Black-Right-Pointing-Pointer MPCS-CO-Cys was first time used in electrochemical detection of heavy metal ions. Black-Right-Pointing-Pointer Heavy metal ions such as Pb{sup 2+} and Cd{sup 2+} can be simultaneously determined. -- Abstract: An effective voltammetric method for detection of trace heavy metal ions using chemically modified highly ordered three dimensional macroporous carbon spheres electrode surfaces is described. The highly ordered three dimensional macroporous carbon spheres were prepared by carbonization of glucose in silica crystal bead template, followed by removal of the template. The highly ordered three dimensional macroporous carbon spheres were covalently modified by cysteine, an amino acid with high affinities towards some heavy metals. The materials were characterized by physical adsorption of nitrogen, scanning electron microscopy, and transmission electron microscopy techniques. While the Fourier-transform infrared spectroscopy was used to characterize the functional groups on the surface of carbon spheres. High sensitivity was exhibited when this material was used in electrochemical detection (square wave anodic stripping voltammetry) of heavy metal ions due to the porous structure. And the potential application for simultaneous detection of heavy metal ions was also investigated.

  15. Highly ordered three-dimensional macroporous carbon spheres for determination of heavy metal ions

    International Nuclear Information System (INIS)

    Zhang, Yuxiao; Zhang, Jianming; Liu, Yang; Huang, Hui; Kang, Zhenhui

    2012-01-01

    Highlights: ► Highly ordered three dimensional macroporous carbon spheres (MPCSs) were prepared. ► MPCS was covalently modified by cysteine (MPCS–CO–Cys). ► MPCS–CO–Cys was first time used in electrochemical detection of heavy metal ions. ► Heavy metal ions such as Pb 2+ and Cd 2+ can be simultaneously determined. -- Abstract: An effective voltammetric method for detection of trace heavy metal ions using chemically modified highly ordered three dimensional macroporous carbon spheres electrode surfaces is described. The highly ordered three dimensional macroporous carbon spheres were prepared by carbonization of glucose in silica crystal bead template, followed by removal of the template. The highly ordered three dimensional macroporous carbon spheres were covalently modified by cysteine, an amino acid with high affinities towards some heavy metals. The materials were characterized by physical adsorption of nitrogen, scanning electron microscopy, and transmission electron microscopy techniques. While the Fourier-transform infrared spectroscopy was used to characterize the functional groups on the surface of carbon spheres. High sensitivity was exhibited when this material was used in electrochemical detection (square wave anodic stripping voltammetry) of heavy metal ions due to the porous structure. And the potential application for simultaneous detection of heavy metal ions was also investigated.

  16. Overlay control methodology comparison: field-by-field and high-order methods

    Science.gov (United States)

    Huang, Chun-Yen; Chiu, Chui-Fu; Wu, Wen-Bin; Shih, Chiang-Lin; Huang, Chin-Chou Kevin; Huang, Healthy; Choi, DongSub; Pierson, Bill; Robinson, John C.

    2012-03-01

    Overlay control in advanced integrated circuit (IC) manufacturing is becoming one of the leading lithographic challenges in the 3x and 2x nm process nodes. Production overlay control can no longer meet the stringent emerging requirements based on linear composite wafer and field models with sampling of 10 to 20 fields and 4 to 5 sites per field, which was the industry standard for many years. Methods that have emerged include overlay metrology in many or all fields, including the high order field model method called high order control (HOC), and field by field control (FxFc) methods also called correction per exposure. The HOC and FxFc methods were initially introduced as relatively infrequent scanner qualification activities meant to supplement linear production schemes. More recently, however, it is clear that production control is also requiring intense sampling, similar high order and FxFc methods. The added control benefits of high order and FxFc overlay methods need to be balanced with the increased metrology requirements, however, without putting material at risk. Of critical importance is the proper control of edge fields, which requires intensive sampling in order to minimize signatures. In this study we compare various methods of overlay control including the performance levels that can be achieved.

  17. A high-order Petrov-Galerkin method for the Boltzmann transport equation

    International Nuclear Information System (INIS)

    Pain, C.C.; Candy, A.S.; Piggott, M.D.; Buchan, A.; Eaton, M.D.; Goddard, A.J.H.; Oliveira, C.R.E. de

    2005-01-01

    We describe a new Petrov-Galerkin method using high-order terms to introduce dissipation in a residual-free formulation. The method is developed following both a Taylor series analysis and a variational principle, and the result has much in common with traditional Petrov-Galerkin, Self Adjoint Angular Flux (SAAF) and Even Parity forms of the Boltzmann transport equation. In addition, we consider the subtleties in constructing appropriate boundary conditions. In sub-grid scale (SGS) modelling of fluids the advantages of high-order dissipation are well known. Fourth-order terms, for example, are commonly used as a turbulence model with uniform dissipation. They have been shown to have superior properties to SGS models based upon second-order dissipation or viscosity. Even higher-order forms of dissipation (e.g. 16.-order) can offer further advantages, but are only easily realised by spectral methods because of the solution continuity requirements that these higher-order operators demand. Higher-order operators are more effective, bringing a higher degree of representation to the solution locally. Second-order operators, for example, tend to relax the solution to a linear variation locally, whereas a high-order operator will tend to relax the solution to a second-order polynomial locally. The form of the dissipation is also important. For example, the dissipation may only be applied (as it is in this work) in the streamline direction. While for many problems, for example Large Eddy Simulation (LES), simply adding a second or fourth-order dissipation term is a perfectly satisfactory SGS model, it is well known that a consistent residual-free formulation is required for radiation transport problems. This motivated the consideration of a new Petrov-Galerkin method that is residual-free, but also benefits from the advantageous features that SGS modelling introduces. We close with a demonstration of the advantages of this new discretization method over standard Petrov

  18. Learning High-Order Filters for Efficient Blind Deconvolution of Document Photographs

    KAUST Repository

    Xiao, Lei

    2016-09-16

    Photographs of text documents taken by hand-held cameras can be easily degraded by camera motion during exposure. In this paper, we propose a new method for blind deconvolution of document images. Observing that document images are usually dominated by small-scale high-order structures, we propose to learn a multi-scale, interleaved cascade of shrinkage fields model, which contains a series of high-order filters to facilitate joint recovery of blur kernel and latent image. With extensive experiments, we show that our method produces high quality results and is highly efficient at the same time, making it a practical choice for deblurring high resolution text images captured by modern mobile devices. © Springer International Publishing AG 2016.

  19. On the exact solutions of high order wave equations of KdV type (I)

    Science.gov (United States)

    Bulut, Hasan; Pandir, Yusuf; Baskonus, Haci Mehmet

    2014-12-01

    In this paper, by means of a proper transformation and symbolic computation, we study high order wave equations of KdV type (I). We obtained classification of exact solutions that contain soliton, rational, trigonometric and elliptic function solutions by using the extended trial equation method. As a result, the motivation of this paper is to utilize the extended trial equation method to explore new solutions of high order wave equation of KdV type (I). This method is confirmed by applying it to this kind of selected nonlinear equations.

  20. High-Order Entropy Stable Finite Difference Schemes for Nonlinear Conservation Laws: Finite Domains

    Science.gov (United States)

    Fisher, Travis C.; Carpenter, Mark H.

    2013-01-01

    Developing stable and robust high-order finite difference schemes requires mathematical formalism and appropriate methods of analysis. In this work, nonlinear entropy stability is used to derive provably stable high-order finite difference methods with formal boundary closures for conservation laws. Particular emphasis is placed on the entropy stability of the compressible Navier-Stokes equations. A newly derived entropy stable weighted essentially non-oscillatory finite difference method is used to simulate problems with shocks and a conservative, entropy stable, narrow-stencil finite difference approach is used to approximate viscous terms.

  1. Study of a high-order-mode gyrotron traveling-wave amplifier

    International Nuclear Information System (INIS)

    Chiu, C. C.; Tsai, C. Y.; Kao, S. H.; Chu, K. R.; Barnett, L. R.; Luhmann, N. C. Jr.

    2010-01-01

    Physics and performance issues of a TE 01 -mode gyrotron traveling-wave amplifier are studied in theory. For a high order mode, absolute instabilities on neighboring modes at the fundamental and higher cyclotron harmonic frequencies impose severe constraints to the device capability. Methods for their stabilization are outlined, on the basis of which the performance characteristics are examined in a multidimensional parameter space under the marginal stability criterion. The results demonstrate the viability of a high-order-mode traveling-wave amplifier and provide a roadmap for design tradeoffs among power, bandwidth, and efficiency. General trends are observed and illustrated with specific examples.

  2. Scattering of a high-order Bessel beam by a spheroidal particle

    Science.gov (United States)

    Han, Lu

    2018-05-01

    Within the framework of generalized Lorenz-Mie theory (GLMT), scattering from a homogeneous spheroidal particle illuminated by a high-order Bessel beam is formulated analytically. The high-order Bessel beam is expanded in terms of spheroidal vector wave functions, where the spheroidal beam shape coefficients (BSCs) are computed conveniently using an intrinsic method. Numerical results concerning scattered field in the far zone are displayed for various parameters of the incident Bessel beam and of the scatter. These results are expected to provide useful insights into the scattering of a Bessel beam by nonspherical particles and particle manipulation applications using Bessel beams.

  3. High-order harmonic generation in solid slabs beyond the single-active-electron approximation

    Science.gov (United States)

    Hansen, Kenneth K.; Deffge, Tobias; Bauer, Dieter

    2017-11-01

    High-harmonic generation by a laser-driven solid slab is simulated using time-dependent density functional theory. Multiple harmonic plateaus up to very high harmonic orders are observed already at surprisingly low field strengths. The full all-electron harmonic spectra are, in general, very different from those of any individual Kohn-Sham orbital. Freezing the Kohn-Sham potential instead is found to be a good approximation for the laser intensities and harmonic orders considered. The origins of the plateau cutoffs are explained in terms of band gaps that can be reached by Kohn-Sham electrons and holes moving through the band structure.

  4. Quasi-phase-matching of only even-order high harmonics.

    Science.gov (United States)

    Diskin, Tzvi; Cohen, Oren

    2014-03-24

    High harmonic spectrum of a quasi-monochromatic pump that interacts with isotropic media consists of only odd-order harmonics. Addition of a secondary pump, e.g. a static field or the second harmonic of the primary pump, can results with generation of both odd and even harmonics of the primary pump. We propose a method for quasi-phase matching of only the even-order harmonics of the primary pump. We formulate a theory for this process and demonstrate it numerically. We also show that it leads to attosecond pulse trains with constant carrier envelop phase and high repetition rate.

  5. Development of a high-flux XUV source based on high-order harmonic generation

    Czech Academy of Sciences Publication Activity Database

    Nefedova, Victoria; Albrecht, Martin; Kozlová, Michaela; Nejdl, Jaroslav

    2017-01-01

    Roč. 220, Oct (2017), s. 9-13 ISSN 0368-2048 R&D Projects: GA MŠk EF15_008/0000162; GA MŠk LQ1606 Grant - others:ELI Beamlines(XE) CZ.02.1.01/0.0/0.0/15_008/0000162 Institutional support: RVO:68378271 Keywords : optimization * high harmonic generation * HHG * laser * XUV radiation * phase-matching * conversion efficiency Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 1.661, year: 2016

  6. Quantum-orbit theory of high-order atomic processes in strong fields

    International Nuclear Information System (INIS)

    Milosevic, D.B.

    2005-01-01

    Full text: Atoms submitted to strong laser fields can emit electrons and photons of very high energies. These processes find a highly intuitive and also quantitative explanation in terms of Feynman's path integral and the concept of quantum orbits. The quantum-orbit formalism is particularly useful for high-order atomic processes in strong laser fields. For such multi-step processes there is an intermediate step during which the electron is approximately under the influence of the laser field only and can absorb energy from the field. This leads to the appearance of the plateau structures in the emitted electron or photon spectra. Usual examples of such processes are high-order harmonic generation (HHG) and high-order above threshold ionization (HATI). These structures were also observed in high-order above-threshold detachment, laser-assisted x-ray-atom scattering, laser-assisted electron-ion recombination, and electron-atom scattering. We will present high-order strong-field approximation (SFA) and show how the quantum-orbit formalism follows from it. This will be done for various above-mentioned processes. For HHG a classification of quantum orbits will be given [10) and generalized to the presence of a static field. The low-energy part of the HHG spectra and the enhancement of HHG near the channel closings can be explained taking into account a large number of quantum orbits. For HATI we will concentrate on the case of few-cycle laser pulse. The influence of the carrier-envelope relative phase on the HATI spectrum can easily be explained in terms of quantum orbits. The SFA and the quantum-orbit results will be compared with the results obtained by Dieter Bauer using ab initio solutions of the time-dependent Schroedinger equation. It will be shown that the Coulomb effects are important for low-energy electron spectra. Refs. 11 (author)

  7. High order Fuchsian equations for the square lattice Ising model: χ-tilde(5)

    International Nuclear Information System (INIS)

    Bostan, A; Boukraa, S; Guttmann, A J; Jensen, I; Hassani, S; Zenine, N; Maillard, J-M

    2009-01-01

    We consider the Fuchsian linear differential equation obtained (modulo a prime) for χ-tilde (5) , the five-particle contribution to the susceptibility of the square lattice Ising model. We show that one can understand the factorization of the corresponding linear differential operator from calculations using just a single prime. A particular linear combination of χ-tilde (1) and χ-tilde (3) can be removed from χ-tilde (5) and the resulting series is annihilated by a high order globally nilpotent linear ODE. The corresponding (minimal order) linear differential operator, of order 29, splits into factors of small orders. A fifth-order linear differential operator occurs as the left-most factor of the 'depleted' differential operator and it is shown to be equivalent to the symmetric fourth power of L E , the linear differential operator corresponding to the elliptic integral E. This result generalizes what we have found for the lower order terms χ-tilde (3) and χ-tilde (4) . We conjecture that a linear differential operator equivalent to a symmetric (n - 1) th power of L E occurs as a left-most factor in the minimal order linear differential operators for all χ-tilde (n) 's

  8. A discontinuous Galerkin method on kinetic flocking models

    OpenAIRE

    Tan, Changhui

    2014-01-01

    We study kinetic representations of flocking models. They arise from agent-based models for self-organized dynamics, such as Cucker-Smale and Motsch-Tadmor models. We prove flocking behavior for the kinetic descriptions of flocking systems, which indicates a concentration in velocity variable in infinite time. We propose a discontinuous Galerkin method to treat the asymptotic $\\delta$-singularity, and construct high order positive preserving scheme to solve kinetic flocking systems.

  9. Quantum Key Distribution with High Order Fibonacci-like Orbital Angular Momentum States

    Science.gov (United States)

    Pan, Ziwen; Cai, Jiarui; Wang, Chuan

    2017-08-01

    The coding space in quantum communication could be expanded to high-dimensional space by using orbital angular momentum (OAM) states of photons, as both the capacity of the channel and security are enhanced. Here we present a novel approach to realize high-capacity quantum key distribution (QKD) by exploiting OAM states. The innovation of the proposed approach relies on a unique type of entangled-photon source which produces entangled photons with OAM randomly distributed among high order Fiboncci-like numbers and a new physical mechanism for efficiently sharing keys. This combination of entanglement with mathematical properties of high order Fibonacci sequences provides the QKD protocol immunity to photon-number-splitting attacks and allows secure generation of long keys from few photons. Unlike other protocols, reference frame alignment and active modulation of production and detection bases are unnecessary.

  10. Highly ordered mesoporous cobalt oxide nanostructures: synthesis, characterisation, magnetic properties, and applications for electrochemical energy devices.

    Science.gov (United States)

    Wang, Guoxiu; Liu, Hao; Horvat, Josip; Wang, Bei; Qiao, Shizhang; Park, Jinsoo; Ahn, Hyojun

    2010-09-24

    Highly ordered mesoporous Co(3)O(4) nanostructures were prepared using KIT-6 and SBA-15 silica as hard templates. The structures were confirmed by small angle X-ray diffraction, high resolution transmission electron microscopy, and N(2) adsorption-desorption isotherm analysis. Both KIT-6 cubic and SBA-15 hexagonal mesoporous Co(3)O(4) samples exhibited a low Néel temperature and bulk antiferromagnetic coupling due to geometric confinement of antiferromagnetic order within the nanoparticles. Mesoporous Co(3)O(4) electrode materials have demonstrated the high lithium storage capacity of more than 1200 mAh g(-1) with an excellent cycle life. They also exhibited a high specific capacitance of 370 F g(-1) as electrodes in supercapacitors.

  11. Frequency dependence of quantum path interference in non-collinear high-order harmonic generation

    International Nuclear Information System (INIS)

    Zhong Shi-Yang; He Xin-Kui; Teng Hao; Ye Peng; Wang Li-Feng; He Peng; Wei Zhi-Yi

    2016-01-01

    High-order harmonic generation (HHG) driven by two non-collinear beams including a fundamental and its weak second harmonic is numerically studied. The interference of harmonics from adjacent electron quantum paths is found to be dependent on the relative delay of the driving pulse, and the dependences are different for different harmonic orders. This frequency dependence of the interference is attributed to the spatial frequency chirp in the HHG beam resulting from the harmonic dipole phase, which in turn provides a potential way to gain an insight into the generation of high-order harmonics. As an example, the intensity dependent dipole phase coefficient α is retrieved from the interference fringe. (paper)

  12. Intense multimicrojoule high-order harmonics generated from neutral atoms of In2O3 nanoparticles

    International Nuclear Information System (INIS)

    Elouga Bom, L. B.; Abdul-Hadi, J.; Vidal, F.; Ozaki, T.; Ganeev, R. A.

    2009-01-01

    We studied high-order harmonic generation from plasma that contains an abundance of indium oxide nanoparticles. We found that harmonics from nanoparticle-containing plasma are considerably more intense than from plasma produced on the In 2 O 3 bulk target, with high-order harmonic energy ranging from 6 μJ (for the ninth harmonic) to 1 μJ (for the 17th harmonic) in the former case. The harmonic cutoff from nanoparticles was at the 21st order, which is lower than that observed using indium oxide solid target. By comparing the harmonic spectra obtained from solid and nanoparticle indium oxide targets, we concluded that intense harmonics in the latter case are dominantly generated from neutral atoms of the In 2 O 3 nanoparticles

  13. Construction of Low Dissipative High Order Well-Balanced Filter Schemes for Non-Equilibrium Flows

    Science.gov (United States)

    Wang, Wei; Yee, H. C.; Sjogreen, Bjorn; Magin, Thierry; Shu, Chi-Wang

    2009-01-01

    The goal of this paper is to generalize the well-balanced approach for non-equilibrium flow studied by Wang et al. [26] to a class of low dissipative high order shock-capturing filter schemes and to explore more advantages of well-balanced schemes in reacting flows. The class of filter schemes developed by Yee et al. [30], Sjoegreen & Yee [24] and Yee & Sjoegreen [35] consist of two steps, a full time step of spatially high order non-dissipative base scheme and an adaptive nonlinear filter containing shock-capturing dissipation. A good property of the filter scheme is that the base scheme and the filter are stand alone modules in designing. Therefore, the idea of designing a well-balanced filter scheme is straightforward, i.e., choosing a well-balanced base scheme with a well-balanced filter (both with high order). A typical class of these schemes shown in this paper is the high order central difference schemes/predictor-corrector (PC) schemes with a high order well-balanced WENO filter. The new filter scheme with the well-balanced property will gather the features of both filter methods and well-balanced properties: it can preserve certain steady state solutions exactly; it is able to capture small perturbations, e.g., turbulence fluctuations; it adaptively controls numerical dissipation. Thus it shows high accuracy, efficiency and stability in shock/turbulence interactions. Numerical examples containing 1D and 2D smooth problems, 1D stationary contact discontinuity problem and 1D turbulence/shock interactions are included to verify the improved accuracy, in addition to the well-balanced behavior.

  14. Hybrid Fluid/Kinetic Modeling Of Magnetized High Energy Density Plasmas

    Science.gov (United States)

    Hansen, David; Held, Eric; King, Jacob; Stoltz, Peter; Masti, Robert; Srinivasan, Bhuvana

    2017-10-01

    MHD modeling with an equation of state (EOS) of the Rayleigh-Taylor (RT) instabily in Z indicates that it is seeded by the electro-thermal instability. Large thermodynamic drives associated with gradients at the interface between the liner and the coronal regions distort distribution functions and likely lead to non-local transport effects in a plasma which varies from weakly to strongly coupled. In this work, we discuss using effective potential theory along with a Chapman-Ensksog-like (CEL) formalism to develop hybrid fluid/kinetic modeling capabilities for these plasmas. Effective potential theory addresses the role of Coulomb collisions on transport across coupling regimes and the CEL approach bridges the gap between full-blow kinetic simulations and the EOS tables, which only depend locally on density and temperature. Quantitative results on the Spitzer problem across coupling coupling regimes will be presented as a first step. DOE Grant No. DE-SC0016525.

  15. Oxidation kinetics and mechanisms of carbon/carbon composites and their components in water vapour at high temperatures

    International Nuclear Information System (INIS)

    Qin, Fei; Peng, Li-na; He, Guo-qiang; Li, Jiang; Yan, Yong

    2015-01-01

    Highlights: • 4D-C/C composite was fabricated using carbon fibre and coal tar pitch. • The rate of mass loss and oxidation kinetics parameters of fibres-H 2 O and matrix-H 2 O are obtained. • The rate of mass loss and oxidation kinetics parameters of C/C–H 2 O are obtained. • Oxidation rate of the fibre bundle is greater than the oxidation rate of the matrix. - Abstract: Thermogravimetric analysis and scanning electron microscopy were used to study the oxidation kinetics of four-direction carbon/carbon composites and their components (fibres and matrices) in a H 2 O–Ar atmosphere at high temperatures. The oxidation processes were restricted to reaction-limited oxidation. The rate of mass loss was estimated for the four-direction carbon/carbon composites and their components at high temperature. The pressure exponent for the reaction of the carbon/carbon composites with H 2 O was 0.59, and the pre-exponential factor and activation energy for the reactions of H 2 O with the carbon/carbon composites, carbon fibres and matrices were determined

  16. Development of an Instrument to Measure Higher Order Thinking Skills in Senior High School Mathematics Instruction

    Science.gov (United States)

    Tanujaya, Benidiktus

    2016-01-01

    The purpose of this research was to develop an instrument that can be used to measure higher-order thinking skills (HOTS) in mathematics instruction of high school students. This research was conducted using a standard procedure of instrument development, from the development of conceptual definitions, development of operational definitions,…

  17. Inducing elliptically polarized high-order harmonics from aligned molecules with linearly polarized femtosecond pulses

    DEFF Research Database (Denmark)

    Etches, Adam; Madsen, Christian Bruun; Madsen, Lars Bojer

    2010-01-01

    A recent paper reported elliptically polarized high-order harmonics from aligned N2 using a linearly polarized driving field [X. Zhou et al., Phys. Rev. Lett. 102, 073902 (2009)]. This observation cannot be explained in the standard treatment of the Lewenstein model and has been ascribed to many...

  18. Global output feedback stabilisation of stochastic high-order feedforward nonlinear systems with time-delay

    Science.gov (United States)

    Zhang, Kemei; Zhao, Cong-Ran; Xie, Xue-Jun

    2015-12-01

    This paper considers the problem of output feedback stabilisation for stochastic high-order feedforward nonlinear systems with time-varying delay. By using the homogeneous domination theory and solving several troublesome obstacles in the design and analysis, an output feedback controller is constructed to drive the closed-loop system globally asymptotically stable in probability.

  19. Algorithm Development and Application of High Order Numerical Methods for Shocked and Rapid Changing Solutions

    Science.gov (United States)

    2007-12-06

    high order well-balanced schemes to a class of hyperbolic systems with source terms, Boletin de la Sociedad Espanola de Matematica Aplicada, v34 (2006...schemes to a class of hyperbolic systems with source terms, Boletin de la Sociedad Espanola de Matematica Aplicada, v34 (2006), pp.69-80. 39. Y. Xu and C.-W

  20. Bayesian Modeling of ChIP-chip Data Through a High-Order Ising Model

    KAUST Repository

    Mo, Qianxing; Liang, Faming

    2010-01-01

    approach to ChIP-chip data through an Ising model with high-order interactions. The proposed method naturally takes into account the intrinsic spatial structure of the data and can be used to analyze data from multiple platforms with different genomic