A calculation of the physical mass of sigma meson

International Nuclear Information System (INIS)

Morones-Ibarra, J.R.; Santos-Guevara, Ayax

2007-01-01

We calculate the physical mass and the width of the sigma meson by considering that it couples in vacuum to two virtual pions. The mass is calculated by using the spectral function, and we find that it is about 600 MeV. In addition, we obtained 220 MeV as the value for the width of its spectral function. The value obtained for the mass is in good agreement with that reported in the Particle Data Book for the σ meson, which is also named f 0 (600). This result also shows that σ-meson can be considered as a two-pion resonance. (author)

The effect of dynamical quark mass on the calculation of a strange quark star's structure

Institute of Scientific and Technical Information of China (English)

Gholam Hossein Bordbar; Babak Ziaei

2012-01-01

We discuss the dynamical behavior of strange quark matter components,in particular the effects of density dependent quark mass on the equation of state of strange quark matter.The dynamical masses of quarks are computed within the Nambu-Jona-Lasinio model,then we perform strange quark matter calculations employing the MIT bag model with these dynamical masses.For the sake of comparing dynamical mass interaction with QCD quark-quark interaction,we consider the one-gluon-exchange term as the effective interaction between quarks for the MIT bag model.Our dynamical approach illustrates an improvement in the obtained equation of state values.We also investigate the structure of the strange quark star using TolmanOppenheimer-Volkoff equations for all applied models.Our results show that dynamical mass interaction leads to lower values for gravitational mass.

Precise prediction for the light MSSM Higgs-boson mass combining effective field theory and fixed-order calculations

Energy Technology Data Exchange (ETDEWEB)

Bahl, Henning; Hollik, Wolfgang [Max-Planck-Institut fuer Physik (Werner-Heisenberg-Institut), Munich (Germany)

2016-09-15

In the Minimal Supersymmetric Standard Model heavy superparticles introduce large logarithms in the calculation of the lightest CP-even Higgs-boson mass. These logarithmic contributions can be resummed using effective field theory techniques. For light superparticles, however, fixed-order calculations are expected to be more accurate. To gain a precise prediction also for intermediate mass scales, the two approaches have to be combined. Here, we report on an improvement of this method in various steps: the inclusion of electroweak contributions, of separate electroweakino and gluino thresholds, as well as resummation at the NNLL level. These improvements can lead to significant numerical effects. In most cases, the lightest CP-even Higgs-boson mass is shifted downwards by about 1 GeV. This is mainly caused by higher-order corrections to the MS top-quark mass. We also describe the implementation of the new contributions in the code FeynHiggs. (orig.)

Robust automated mass spectra interpretation and chemical formula calculation using mixed integer linear programming.

Science.gov (United States)

Baran, Richard; Northen, Trent R

2013-10-15

Untargeted metabolite profiling using liquid chromatography and mass spectrometry coupled via electrospray ionization is a powerful tool for the discovery of novel natural products, metabolic capabilities, and biomarkers. However, the elucidation of the identities of uncharacterized metabolites from spectral features remains challenging. A critical step in the metabolite identification workflow is the assignment of redundant spectral features (adducts, fragments, multimers) and calculation of the underlying chemical formula. Inspection of the data by experts using computational tools solving partial problems (e.g., chemical formula calculation for individual ions) can be performed to disambiguate alternative solutions and provide reliable results. However, manual curation is tedious and not readily scalable or standardized. Here we describe an automated procedure for the robust automated mass spectra interpretation and chemical formula calculation using mixed integer linear programming optimization (RAMSI). Chemical rules among related ions are expressed as linear constraints and both the spectra interpretation and chemical formula calculation are performed in a single optimization step. This approach is unbiased in that it does not require predefined sets of neutral losses and positive and negative polarity spectra can be combined in a single optimization. The procedure was evaluated with 30 experimental mass spectra and was found to effectively identify the protonated or deprotonated molecule ([M + H](+) or [M - H](-)) while being robust to the presence of background ions. RAMSI provides a much-needed standardized tool for interpreting ions for subsequent identification in untargeted metabolomics workflows.

Orifice Mass Flow Calculation in NASA's W-8 Single Stage Axial Compressor Facility

Science.gov (United States)

Bozak, Richard F.

2018-01-01

Updates to the orifice mass flow calculation for the W-8 Single Stage Axial Compressor Facility at NASA Glenn Research Center are provided to include the effect of humidity and incorporate ISO 5167. A methodology for including the effect of humidity into the inlet orifice mass flow calculation is provided. Orifice mass flow calculations provided by ASME PTC-19.5-2004, ASME MFC-3M-2004, ASME Fluid Meters, and ISO 5167 are compared for W-8's atmospheric inlet orifice plate. Differences in expansion factor and discharge coefficient given by these standards give a variation of about +/- 75% mass flow except for a few cases. A comparison of the calculations with an inlet static pressure mass flow correlation and a fan exit mass flow integration using test data from a 2017 turbofan rotor test in W-8 show good agreement between the inlet static pressure mass flow correlation, ISO 5167, and ASME Fluid Meters. While W-8's atmospheric inlet orifice plate violates the pipe diameter limit defined by each of the standards, the ISO 5167 is chosen to be the primary orifice mass flow calculation to use in the W-8 facility.

The cellular approach to band structure calculations

International Nuclear Information System (INIS)

Verwoerd, W.S.

1982-01-01

A short introduction to the cellular approach in band structure calculations is given. The linear cellular approach and its potantial applicability in surface structure calculations is given some consideration in particular

The Use of Gas Chromatography and Mass Spectrometry to Introduce General Chemistry Students to Percent Mass and Atomic Mass Calculations

Science.gov (United States)

Pfennig, Brian W.; Schaefer, Amy K.

2011-01-01

A general chemistry laboratory experiment is described that introduces students to instrumental analysis using gas chromatography-mass spectrometry (GC-MS), while simultaneously reinforcing the concepts of mass percent and the calculation of atomic mass. Working in small groups, students use the GC to separate and quantify the percent composition…

Hartree-Fock calculations of nuclear masses

International Nuclear Information System (INIS)

Quentin, P.

1976-01-01

Hartree-Fock calculations pertaining to the determination of nuclear binding energies throughout the whole chart of nuclides are reviewed. Such an approach is compared with other methods. Main techniques in use are shortly presented. Advantages and drawbacks of these calculations are also discussed with a special emphasis on the extrapolation towards nuclei far from the stability valley. Finally, a discussion of some selected results from light to superheavy nuclei, is given [fr

Bayesian inference in mass flow simulations - from back calculation to prediction

Science.gov (United States)

Kofler, Andreas; Fischer, Jan-Thomas; Hellweger, Valentin; Huber, Andreas; Mergili, Martin; Pudasaini, Shiva; Fellin, Wolfgang; Oberguggenberger, Michael

2017-04-01

Mass flow simulations are an integral part of hazard assessment. Determining the hazard potential requires a multidisciplinary approach, including different scientific fields such as geomorphology, meteorology, physics, civil engineering and mathematics. An important task in snow avalanche simulation is to predict process intensities (runout, flow velocity and depth, ...). The application of probabilistic methods allows one to develop a comprehensive simulation concept, ranging from back to forward calculation and finally to prediction of mass flow events. In this context optimized parameter sets for the used simulation model or intensities of the modeled mass flow process (e.g. runout distances) are represented by probability distributions. Existing deterministic flow models, in particular with respect to snow avalanche dynamics, contain several parameters (e.g. friction). Some of these parameters are more conceptual than physical and their direct measurement in the field is hardly possible. Hence, parameters have to be optimized by matching simulation results to field observations. This inverse problem can be solved by a Bayesian approach (Markov chain Monte Carlo). The optimization process yields parameter distributions, that can be utilized for probabilistic reconstruction and prediction of avalanche events. Arising challenges include the limited amount of observations, correlations appearing in model parameters or observed avalanche characteristics (e.g. velocity and runout) and the accurate handling of ensemble simulations, always taking into account the related uncertainties. Here we present an operational Bayesian simulation framework with r.avaflow, the open source GIS simulation model for granular avalanches and debris flows.

A rapid approach for characterization of thiol-conjugated antibody-drug conjugates and calculation of drug-antibody ratio by liquid chromatography mass spectrometry.

Science.gov (United States)

Firth, David; Bell, Leonard; Squires, Martin; Estdale, Sian; McKee, Colin

2015-09-15

We present the demonstration of a rapid "middle-up" liquid chromatography mass spectrometry (LC-MS)-based workflow for use in the characterization of thiol-conjugated maleimidocaproyl-monomethyl auristatin F (mcMMAF) and valine-citrulline-monomethyl auristatin E (vcMMAE) antibody-drug conjugates. Deconvoluted spectra were generated following a combination of deglycosylation, IdeS (immunoglobulin-degrading enzyme from Streptococcus pyogenes) digestion, and reduction steps that provide a visual representation of the product for rapid lot-to-lot comparison-a means to quickly assess the integrity of the antibody structure and the applied conjugation chemistry by mass. The relative abundance of the detected ions also offer information regarding differences in drug conjugation levels between samples, and the average drug-antibody ratio can be calculated. The approach requires little material (<100 μg) and, thus, is amenable to small-scale process development testing or as an early component of a complete characterization project facilitating informed decision making regarding which aspects of a molecule might need to be examined in more detail by orthogonal methodologies. Copyright © 2015 Elsevier Inc. All rights reserved.

Variational approach to thermal masses in compactified models

Energy Technology Data Exchange (ETDEWEB)

Dominici, Daniele [Dipartimento di Fisica e Astronomia Università di Firenze and INFN - Sezione di Firenze,Via G. Sansone 1, 50019 Sesto Fiorentino (Italy); Roditi, Itzhak [Centro Brasileiro de Pesquisas Físicas - CBPF/MCT,Rua Dr. Xavier Sigaud 150, 22290-180, Rio de Janeiro, RJ (Brazil)

2015-08-20

We investigate by means of a variational approach the effective potential of a 5DU(1) scalar model at finite temperature and compactified on S{sup 1} and S{sup 1}/Z{sub 2} as well as the corresponding 4D model obtained through a trivial dimensional reduction. We are particularly interested in the behavior of the thermal masses of the scalar field with respect to the Wilson line phase and the results obtained are compared with those coming from a one-loop effective potential calculation. We also explore the nature of the phase transition.

Global nuclear-structure calculations

International Nuclear Information System (INIS)

Moeller, P.; Nix, J.R.

1990-01-01

The revival of interest in nuclear ground-state octupole deformations that occurred in the 1980's was stimulated by observations in 1980 of particularly large deviations between calculated and experimental masses in the Ra region, in a global calculation of nuclear ground-state masses. By minimizing the total potential energy with respect to octupole shape degrees of freedom in addition to ε 2 and ε 4 used originally, a vastly improved agreement between calculated and experimental masses was obtained. To study the global behavior and interrelationships between other nuclear properties, we calculate nuclear ground-state masses, spins, pairing gaps and Β-decay and half-lives and compare the results to experimental qualities. The calculations are based on the macroscopic-microscopic approach, with the microscopic contributions calculated in a folded-Yukawa single-particle potential

Water-Exit Process Modeling and Added-Mass Calculation of the Submarine-Launched Missile

Directory of Open Access Journals (Sweden)

Yang Jian

2017-11-01

Full Text Available In the process that the submarine-launched missile exits the water, there is the complex fluid solid coupling phenomenon. Therefore, it is difficult to establish the accurate water-exit dynamic model. In the paper, according to the characteristics of the water-exit motion, based on the traditional method of added mass, considering the added mass changing rate, the water-exit dynamic model is established. And with help of the CFX fluid simulation software, a new calculation method of the added mass that is suit for submarine-launched missile is proposed, which can effectively solve the problem of fluid solid coupling in modeling process. Then by the new calculation method, the change law of the added mass in water-exit process of the missile is obtained. In simulated analysis, for the water-exit process of the missile, by comparing the results of the numerical simulation and the calculation of theoretical model, the effectiveness of the new added mass calculation method and the accuracy of the water-exit dynamic model that considers the added mass changing rate are verified.

[Probabilistic calculations of biomolecule charge states that generate mass spectra of multiply charged ions].

Science.gov (United States)

Raznikova, M O; Raznikov, V V

2015-01-01

In this work, information relating to charge states of biomolecule ions in solution obtained using the electrospray ionization mass spectrometry of different biopolymers is analyzed. The data analyses have mainly been carried out by solving an inverse problem of calculating the probabilities of retention of protons and other charge carriers by ionogenic groups of biomolecules with known primary structures. The approach is a new one and has no known to us analogues. A program titled "Decomposition" was developed and used to analyze the charge distribution of ions of native and denatured cytochrome c mass spectra. The possibility of splitting of the charge-state distribution of albumin into normal components, which likely corresponds to various conformational states of the biomolecule, has been demonstrated. The applicability criterion for using previously described method of decomposition of multidimensional charge-state distributions with two charge carriers, e.g., a proton and a sodium ion, to characterize the spatial structure of biopolymers in solution has been formulated. In contrast to known mass-spectrometric approaches, this method does not require the use of enzymatic hydrolysis or collision-induced dissociation of the biopolymers.

Mass formula dependence of calculated spallation reaction product distributions

International Nuclear Information System (INIS)

Nishida, Takahiko; Nakahara, Yasuaki

1990-01-01

A new version of the spallation reaction simulation code NUCLEUS was developed by incorporating Uno and Yamada's mass formula. This version was used to calculate the distribution of products from the spallation of uranium nuclei by high-energy protons. The dependence of the distributions on the mass formula was examined by comparing the results with those from the original version, which is based on Cameron's mass formula and the mass table compiled by Wapstra et al. As regards the fission component of spallation products, the new version reproduces the reaction product data obtained from thin foil experiments much better, especially on the neutron excess side. (orig.) [de

Spherical bootstrap calculation of qqq-baryon and multiquark-hadron masses

International Nuclear Information System (INIS)

Balazs, L.A.P.; Nicolescu, B.

1979-12-01

Recently a way of implementing the dual-topological unitarization program has been found, in which baryons and other multiquark hadrons are put on the sphere and appear at the same topological-complexity level as ordinary anti-qq mesons. This permits one to have a lowest-order 'spherical bootstrap', within which unitarity, duality and crossing can be consistently satisfied. In the present paper, this framework to calculate hadron masses has been used by imposing duality on an infinite sum of ladder graphs generated from spherical unitarity. By making a certain simple dynamical approximation, an explicit generic Regge-trajectory formula is derived for any given process. If one then makes certain reasonable dynamical assumptions and requires simultaneous consistency for entire sets of processes, it is possible to calculate the masses of all the lowest states and the Regge trajectories associated with each of them. The only arbitrary parameter is the mass of the rho which merely serves to set the mass scale

A new approach to calculating endurance in electric flight and comparing fuel cells and batteries

International Nuclear Information System (INIS)

Donateo, Teresa; Ficarella, Antonio; Spedicato, Luigi; Arista, Alessandro; Ferraro, Marco

2017-01-01

Highlights: • Gross endurance of an UAV calculated with literature correlations. • Net endurance calculated with an innovative mission-based approach. • Three state-of-the-art battery technologies compared to a PEM fuel cell. • Analysis with different values of energy stored on board. • Effect of powertrain mass and volume of aircraft empty mass and wing area. - Abstract: Electric flight is of increasing interest in order to reduce emissions of pollution and greenhouse gases in the aviation field in particular when the takeoff mass is low, as in the case of lightweight cargo transport or remotely controlled drones. The present investigation addresses two key issues in electric flight, namely the correct calculation of the endurance and the comparison between batteries and fuel cells, with a mission-based approach. As a test case, a light Unmanned Aerial Vehicle (UAV) powered exclusively by a Polymer Electrolyte Membrane fuel cell with a gaseous hydrogen tank was compared with the same aircraft powered by different kinds of Lithium batteries sized to match the energy stored in the hydrogen tank. The mass and the volume of each powertrain were calculated with literature data about existing technologies for propellers, motors, batteries and fuel cells. The empty mass and the wing area of the UAV were amended with the mass of the proposed powertrain to explore the range of application of the proposed technologies. To evaluate the efficiency of the whole powertrain a simulation software was used instead of considering only level flight. This software allowed an in-depth analysis on the efficiency of all sub-systems along the flight. The secondary demand of power for auxiliaries was taken into account along with the propulsive power. The main parameter for the comparison was the endurance but the takeoff performance, the volume of the powertrain and the environmental impact were also taken into account. The battery-based powertrain was found to be the most

On calculating double logarithmical asymptotics of vertex functions defined on the mass shell

International Nuclear Information System (INIS)

Belokurov, V.V.; Usyukina, N.I.

1981-01-01

The essence of the calculation method of double logarithmical asymptotics of vertex functions defined on the mass shell is presented. Using the method the asymptotics of the form-factor of electron is calculated. The ladder and cross-ladder diagrams are asymptotically considerable in every order of the perturbation theory. The way in which the asymptotics of the 4-order diagrams is calculated has been shown. The diagrams of this order and reduction procedures for them are given in a graphic form. The photon mass μ 2 not equal to 0 plays the role of a regulator, removing infrared divergencies. The double logarithmical asymptotics of the form-factor of electron on the mass shell is calculated rigorously in an arbitrary order of the perturbation theory [ru

Calculations of mass and moment of inertia for neutron stars

International Nuclear Information System (INIS)

Moelnvik, T.; Oestgaard, E.

1985-01-01

Masses and moments of inertia for slowly-rotating neutron stars are calculated from the Tolman-Oppenheimer-Volkoff equations and various equations of state for neutron-star matter. We have also obtained pressure and density as a function of the distance from the centre of the star. Generally, two different equations of state are applied for particle densities n>0.47 fm -3 and n -3 . The maximum mass is, in our calculations for all equations of state except for the unrealistic non-relativistic ideal Fermi gas, given by 1.50 Msub(sun) 44 gxcm 2 45 gxcm 2 , which also seem to agree very well with 'experimental results'. The radius of the star corresponding to maximum mass and maximum moment of inertia is given by 8.2 km< R<10.0 km, but a smaller central density rhosub(c) will give a larger radius. (orig.)

The calculation of nucleus-nucleus interaction cross sections at high energy in the Glauber approach

International Nuclear Information System (INIS)

Gal'perin, A.G.; Uzhinskij, V.V.

1994-01-01

Total, inelastic and elastic cross sections of nucleus-nucleus (AA)-interactions at high energy (HE) are calculated on the base of Glauber approach. The calculation scheme is realized as a set of routines. The statistical average method is used in calculations. Program runs in an interactive regime. User is prompted about charge and mass numbers of nuclei and NN-interaction characters at the energy he is interested in: total cross section, the slope parameter of differential cross section of elastic scattering and ratio of real part to imaginary part of elastic scattering amplitude at zero momentum transfer. These data can be extracted from proper compilations. Results of calculations are displayed and are written on user defined output file. The program runs on PC. 21 refs., 1 tab

Soil structure interaction calculations: a comparison of methods

Energy Technology Data Exchange (ETDEWEB)

Wight, L.; Zaslawsky, M.

1976-07-22

Two approaches for calculating soil structure interaction (SSI) are compared: finite element and lumped mass. Results indicate that the calculations with the lumped mass method are generally conservative compared to those obtained by the finite element method. They also suggest that a closer agreement between the two sets of calculations is possible, depending on the use of frequency-dependent soil springs and dashpots in the lumped mass calculations. There is a total lack of suitable guidelines for implementing the lumped mass method of calculating SSI, which leads to the conclusion that the finite element method is generally superior for calculative purposes.

Soil structure interaction calculations: a comparison of methods

International Nuclear Information System (INIS)

Wight, L.; Zaslawsky, M.

1976-01-01

Two approaches for calculating soil structure interaction (SSI) are compared: finite element and lumped mass. Results indicate that the calculations with the lumped mass method are generally conservative compared to those obtained by the finite element method. They also suggest that a closer agreement between the two sets of calculations is possible, depending on the use of frequency-dependent soil springs and dashpots in the lumped mass calculations. There is a total lack of suitable guidelines for implementing the lumped mass method of calculating SSI, which leads to the conclusion that the finite element method is generally superior for calculative purposes

Calculation of Added Mass for Submerged Reactor with Complex Shape

Energy Technology Data Exchange (ETDEWEB)

Sun, Jong-Oh; Kim, Gyeongho; Choo, Yeon-Seok; Yoo, Yeon-Sik [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2016-10-15

Kijang Research Reactor (KJRR) is currently under construction. Its reactor is located on the bottom of a reactor pool which is filled with water to a depth of 12m. Some components are installed on or inside the reactor and their structural integrity and safety performance need to be verified under seismic situations. For the verification, time history data or Floor Response Spectrum (FRS) on their support location, which is the reactor, should be obtained. A Finite Element (FE) model with fluid elements can give very accurate results for the matter; however, it costs too many resources and takes too much time for the transient analyses. In order to make the model more efficient and simple, added masses are often used to simulate the effect of water instead of the fluid elements. Many literatures introduce methods to calculate the added mass according to the exterior shape of structures. In this paper, how to calculate added masses for complex shaped structure was suggested. The proposed method was applied to RSA for KJRR and its accuracy was verified through comparison of the natural frequencies of RSA with fluid elements and the added masses. They showed the differences less than 1.5% between two models. Finally, it is concluded that the proposed method is quite useful to obtain added masses for complex shaped structure.

Calculation of Post-Closure Natural Convection Heat and Mass Transfer in Yucca Mountain Drifts

International Nuclear Information System (INIS)

Webb, S.; Itamura, M.

2004-01-01

Natural convection heat and mass transfer under post-closure conditions has been calculated for Yucca Mountain drifts using the computational fluid dynamics (CFD) code FLUENT. Calculations have been performed for 300, 1000, 3000, and 10,000 years after repository closure. Effective dispersion coefficients that can be used to calculate mass transfer in the drift have been evaluated as a function of time and boundary temperature tilt

Calculation and mitigation of isotopic interferences in liquid chromatography-mass spectrometry/mass spectrometry assays and its application in supporting microdose absolute bioavailability studies.

Science.gov (United States)

Gu, Huidong; Wang, Jian; Aubry, Anne-Françoise; Jiang, Hao; Zeng, Jianing; Easter, John; Wang, Jun-sheng; Dockens, Randy; Bifano, Marc; Burrell, Richard; Arnold, Mark E

2012-06-05

A methodology for the accurate calculation and mitigation of isotopic interferences in liquid chromatography-mass spectrometry/mass spectrometry (LC-MS/MS) assays and its application in supporting microdose absolute bioavailability studies are reported for the first time. For simplicity, this calculation methodology and the strategy to minimize the isotopic interference are demonstrated using a simple molecule entity, then applied to actual development drugs. The exact isotopic interferences calculated with this methodology were often much less than the traditionally used, overestimated isotopic interferences simply based on the molecular isotope abundance. One application of the methodology is the selection of a stable isotopically labeled internal standard (SIL-IS) for an LC-MS/MS bioanalytical assay. The second application is the selection of an SIL analogue for use in intravenous (i.v.) microdosing for the determination of absolute bioavailability. In the case of microdosing, the traditional approach of calculating isotopic interferences can result in selecting a labeling scheme that overlabels the i.v.-dosed drug or leads to incorrect conclusions on the feasibility of using an SIL drug and analysis by LC-MS/MS. The methodology presented here can guide the synthesis by accurately calculating the isotopic interferences when labeling at different positions, using different selective reaction monitoring (SRM) transitions or adding more labeling positions. This methodology has been successfully applied to the selection of the labeled i.v.-dosed drugs for use in two microdose absolute bioavailability studies, before initiating the chemical synthesis. With this methodology, significant time and cost saving can be achieved in supporting microdose absolute bioavailability studies with stable labeled drugs.

Calculation of the collective mass-parameter including RPA corrections

International Nuclear Information System (INIS)

Pal, M.K.; Zawischa, D.; Speth, J.

1975-01-01

A derivation of the vibrational mass-parameter B is given which makes the consistency with RPA calculations explicit. The expected enhancement by the residual particle-hole and particle-particle interaction is demonstrated by solving the quasiparticle-RPA for deformed nuclei in the rare earth region. (orig.) [de

Comparison of a Mass Balance and an Ecosystem Model Approach when Evaluating the Carbon Cycling in a Lake Ecosystem

International Nuclear Information System (INIS)

Andersson, Eva; Sobek, Sebastian

2006-01-01

Carbon budgets are frequently used in order to understand the pathways of organic matter in ecosystems, and they also have an important function in the risk assessment of harmful substances. We compared two approaches, mass balance calculations and an ecosystem budget, to describe carbon processing in a shallow, oligotrophic hardwater lake. Both approaches come to the same main conclusion, namely that the lake is a net auto trophic ecosystem, in spite of its high dissolved organic carbon and low total phosphorus concentrations. However, there were several differences between the carbon budgets, e.g. in the rate of sedimentation and the air-water flux of CO 2 . The largest uncertainty in the mass balance is the contribution of emergent macrophytes to the carbon cycling of the lake, while the ecosystem budget is very sensitive towards the choice of conversion factors and literature values. While the mass balance calculations produced more robust results, the ecosystem budget gave valuable insights into the pathways of organic matter transfer in the ecosystem. We recommend that when using an ecosystem budget for the risk assessment of harmful substances, mass balance calculations should be performed in parallel in order to increase the robustness of the conclusions

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

International Nuclear Information System (INIS)

Janecky, D.R.

1988-01-01

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

A simplified calculation procedure for mass isotopomer distribution analysis (MIDA) based on multiple linear regression.

Science.gov (United States)

Fernández-Fernández, Mario; Rodríguez-González, Pablo; García Alonso, J Ignacio

2016-10-01

We have developed a novel, rapid and easy calculation procedure for Mass Isotopomer Distribution Analysis based on multiple linear regression which allows the simultaneous calculation of the precursor pool enrichment and the fraction of newly synthesized labelled proteins (fractional synthesis) using linear algebra. To test this approach, we used the peptide RGGGLK as a model tryptic peptide containing three subunits of glycine. We selected glycine labelled in two 13 C atoms ( 13 C 2 -glycine) as labelled amino acid to demonstrate that spectral overlap is not a problem in the proposed methodology. The developed methodology was tested first in vitro by changing the precursor pool enrichment from 10 to 40% of 13 C 2 -glycine. Secondly, a simulated in vivo synthesis of proteins was designed by combining the natural abundance RGGGLK peptide and 10 or 20% 13 C 2 -glycine at 1 : 1, 1 : 3 and 3 : 1 ratios. Precursor pool enrichments and fractional synthesis values were calculated with satisfactory precision and accuracy using a simple spreadsheet. This novel approach can provide a relatively rapid and easy means to measure protein turnover based on stable isotope tracers. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Physical consequences of the alpha/beta rule which accurately calculates particle masses

Energy Technology Data Exchange (ETDEWEB)

Greulich, Karl Otto [Fritz Lipmann Institute, Beutenbergstr.11, D07745 Jena (Germany)

2015-07-01

Using the fine structure constant α (=1/137.036), the proton vs. electron mass ratio β (= 1836.2) and the integers m and n, the α/β rule: m{sub particle} = α{sup -n} x β m x 27.2 eV/c{sup 2} allows almost exact calculation of particle masses. (K.O.Greulich, DPG Spring meeting 2014, Mainz, T99.4) With n=2, m=0 the electron mass becomes 510.79 keV/c{sup 2} (experimental 511 keV/c{sup 2}) With n=2, m=1 the proton mass is 937.9 MeV/c{sup 2} (literature 938.3 MeV/c{sup 2}). For n=3 and m=1 a particle with 128.6 GeV/c{sup 2} close to the reported Higgs mass, is expected. For n=14 and m=-1 the Planck mass results. The calculated masses for gauge bosons and for quarks have similar accuracy. All masses fit into the same scheme (the alpha/beta rule), indicating that non of these particle masses play an extraordinary role. Particularly, the Higgs Boson, often termed the *God particle* plays in this sense no extraordinary role. In addition, particle masses are intimately correlated with the fine structure constant α. If particle masses have been constant over all times, α must have been constant over these times. In addition, the ionization energy of the hydrogen atom (13.6 eV) needs to have been constant if particle masses have been unchanged or vice versa. In conclusion, the α/β rule needs to be taken into account when cosmological models are developed.

Critical mass calculations for 241Am, 242mAm and 243Am

International Nuclear Information System (INIS)

Dias, Hemanth; Tancock, Nigel; Clayton, Angela

2003-01-01

Criticality mass calculations are reported for 241 Am, 242m Am and 243 Am using the MONK and MCNP computer codes with the UKNDL, JEF-2.2, ENDF/B-VI and JENDL-3.2 nuclear data libraries. Results are reported for spheres of americium metal and dioxide in bare, water reflected and steel reflected systems. Comparison of results led to the identification of a serious inconsistency in the 241 Am ENDF/B-VI DICE library used by MONK - this demonstrates the importance of using different codes to verify critical mass calculations. The 241 Am critical mass estimates obtained using UKNDL and ENDF/B-VI show good agreement with experimentally inferred data, whilst both JEF-2.2 and JENDL-3.2 produce higher estimates of critical mass. The computed critical mass estimates for 242m Am obtained using ENDF/B-VI are lower than the results produced using the other nuclear data libraries - the ENDF/B-VI fission cross-section for 242m Am is significantly higher than the other evaluations in the fast region and is not supported by recent experimental data. There is wide variation in the computed 243 Am critical mass estimates suggesting that there is still considerable uncertainty in the 243 Am nuclear data. (author)

Precise Higgs mass calculations in (non-)minimal supersymmetry at both high and low scales

Energy Technology Data Exchange (ETDEWEB)

Athron, Peter [Monash Univ., Victoria (Australia). School of Physics and Astronomy; Park, Jae-hyeon [Korea Institute for Advanced Study, Seoul (Korea, Republic of). Quantum Universe Center; Steudtner, Tom; Stoeckinger, Dominik [TU Dresden (Germany). Inst. fuer Kern- und Teilchenphysik; Voigt, Alexander [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2016-09-15

We present FlexibleEFTHiggs, a method for calculating the SM-like Higgs pole mass in SUSY (and even non-SUSY) models, which combines an effective field theory approach with a diagrammatic calculation. It thus achieves an all order resummation of leading logarithms together with the inclusion of all non-logarithmic 1-loop contributions. We implement this method into FlexibleSUSY and study its properties in the MSSM, NMSSM, E{sub 6}SSM and MRSSM. In the MSSM, it correctly interpolates between the known results of effective field theory calculations in the literature for a high SUSY scale and fixed-order calculations in the full theory for a sub-TeV SUSY scale. We compare our MSSM results to those from public codes and identify the origin of the most significant deviations between the DR programs. We then perform a similar comparison in the remaining three non-minimal models. For all four models we estimate the theoretical uncertainty of FlexibleEFTHiggs and the fixed-order DR programs thereby finding that the former becomes more precise than the latter for a SUSY scale above a few TeV. Even for sub-TeV SUSY scales, FlexibleEFTHiggs maintains the uncertainty estimate around 2-3 GeV, remaining a competitive alternative to existing fixed-order computations.

Approach to calculation of mass spectra and two-photon decays of c c¯ mesons in the framework of Bethe-Salpeter equation

Science.gov (United States)

Bhatnagar, Shashank; Alemu, Lmenew

2018-02-01

In this work we calculate the mass spectra of charmonium for 1 P ,…,4 P states of 0++ and 1++, for 1 S ,…,5 S states of 0-+, and for 1 S ,…,4 D states of 1- along with the two-photon decay widths of the ground and first excited states of 0++ quarkonia for the process O++→γ γ in the framework of a QCD-motivated Bethe-Salpeter equation (BSE). In this 4 ×4 BSE framework, the coupled Salpeter equations are first shown to decouple for the confining part of the interaction (under the heavy-quark approximation) and are analytically solved, and later the one-gluon-exchange interaction is perturbatively incorporated, leading to mass spectral equations for various quarkonia. The analytic forms of wave functions obtained are used for the calculation of the two-photon decay widths of χc 0. Our results are in reasonable agreement with data (where available) and other models.

Risk-oriented approach application at planning and orginizing antiepidemic provision of mass events

Directory of Open Access Journals (Sweden)

D.V. Efremenko

2017-03-01

Full Text Available Mass events tend to become more and more dangerous for population health, as they cause various health risks, including infectious pathologies risks. Our research goal was to work out scientifically grounded approaches to assessing and managing epidemiologic risks as well as analyze their application practices implemented during preparation to the Olympics-2014, the Games themselves, as well as other mass events which took place in 2014–2016. We assessed epidemiologic complications risks with the use of diagnostic test-systems and applying a new technique which allowed for mass events peculiarities. The technique is based on infections ranking as per 3 potential danger categories in accordance with created criteria which represented quantitative and qualitative predictive parameters (predictors. Application of risk-oriented approach and multi-factor analysis allowed us to detect exact possible maximum requirements for providing sanitary-epidemiologic welfare in terms of each separate nosologic form. As we enhanced our laboratory base with test-systems to provide specific indication as per accomplished calculations, it enabled us, on one hand, to secure the required preparations, and, on the other hand, to avoid unnecessary expenditures. To facilitate decision-making process during the Olympics-2014 we used an innovative product, namely, a computer program based on geoinformation system (GIS. It helped us to simplify and to accelerate information exchange within the frameworks of intra- and interdepartmental interaction. "Dynamic epidemiologic threshold" was daily calculated for measles, chickenpox, acute enteric infections and acute respiratory viral infections of various etiology. And if it was exceeded or possibility of "epidemiologic spot" for one or several nosologies occurred, an automatic warning appeared in GIS. Planning prevention activities regarding feral herd infections and zoogenous extremely dangerous infections which were endemic

A Real-Time Temperature Data Transmission Approach for Intelligent Cooling Control of Mass Concrete

Directory of Open Access Journals (Sweden)

Peng Lin

2014-01-01

Full Text Available The primary aim of the study presented in this paper is to propose a real-time temperature data transmission approach for intelligent cooling control of mass concrete. A mathematical description of a digital temperature control model is introduced in detail. Based on pipe mounted and electrically linked temperature sensors, together with postdata handling hardware and software, a stable, real-time, highly effective temperature data transmission solution technique is developed and utilized within the intelligent mass concrete cooling control system. Once the user has issued the relevant command, the proposed programmable logic controllers (PLC code performs all necessary steps without further interaction. The code can control the hardware, obtain, read, and perform calculations, and display the data accurately. Hardening concrete is an aggregate of complex physicochemical processes including the liberation of heat. The proposed control system prevented unwanted structural change within the massive concrete blocks caused by these exothermic processes based on an application case study analysis. In conclusion, the proposed temperature data transmission approach has proved very useful for the temperature monitoring of a high arch dam and is able to control thermal stresses in mass concrete for similar projects involving mass concrete.

Calculation of isotopic mass and energy production by a matrix operator method

International Nuclear Information System (INIS)

Lee, C.E.

1976-08-01

The Volterra method of the multiplicative integral is used to determine the isotopic density, mass, and energy production in linear systems. The solution method, assumptions, and limitations are discussed. The method allows a rapid accurate calculation of the change in isotopic density, mass, and energy production independent of the magnitude of the time steps, production or decay rates, or flux levels

Higgs-boson masses and mixing matrices in the NMSSM. Analysis of on-shell calculations

Energy Technology Data Exchange (ETDEWEB)

Drechsel, Peter; Weiglein, Georg [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Groeber, Ramona [Durham Univ. (United Kingdom). Inst. for Particle Physics Phenomenology; INFN, Sezione di Roma Tre (Italy); Heinemeyer, Sven [Univ. Autonoma de Madrid (UAM/CSIC) (Spain). Inst. de Fisica Teorica; Instituto de Fisica de Cantabria (CSIC-UC), Santander (Spain); UAM + CSIC Campus of International Excellence, Madrid (Spain); Muehlleitner, Milada [Karlsruhe Institute of Technology, Karlsruhe (Germany). Inst. for Theoretical Physics; Rzehak, H. [Univ. of Southern Denmark, Odense (Denmark). CP3-Origins

2016-12-22

We analyze the Higgs-boson masses and mixing matrices in the NMSSM based on an on-shell (OS) renormalization of the gauge-boson and Higgs-boson masses and the parameters of the top/scalar top sector. We compare the implementation of the OS calculations in the codes NMSSMCALC and NMSSM-FeynHiggs up to O(α{sub t}α{sub s}). We identify the sources of discrepancies at the one- and at the two-loop level. Finally we compare the OS and DR evaluation as implemented in NMSSMCALC. The results are important ingredients for an estimate of the theoretical precision of Higgs-boson mass calculations in the NMSSM.

Higgs-boson masses and mixing matrices in the NMSSM: analysis of on-shell calculations

Energy Technology Data Exchange (ETDEWEB)

Drechsel, P.; Weiglein, G. [DESY, Hamburg (Germany); Groeber, R. [Durham University, Department of Physics, Institute for Particle Physics Phenomenology, Durham (United Kingdom); INFN, Sezione di Roma Tre, Rome (Italy); Heinemeyer, S. [Campus of International Excellence UAM+CSIC, Madrid (Spain); Universidad Autonoma de Madrid, Instituto de Fisica Teorica, (UAM/CSIC), Madrid (Spain); Instituto de Fisica de Cantabria (CSIC-UC), Santander (Spain); Muehlleitner, M. [Karlsruhe Institute of Technology, Institute for Theoretical Physics, Karlsruhe (Germany); Rzehak, H. [University of Southern Denmark, CP3-Origins, Odense M (Denmark)

2017-06-15

We analyze the Higgs-boson masses and mixing matrices in the NMSSM based on an on-shell (OS) renormalization of the gauge-boson and Higgs-boson masses and the parameters of the top/scalar top sector. We compare the implementation of the OS calculations in the codes NMSSMCALC and NMSSM-FeynHiggs up to O(α{sub t}α{sub s}). We identify the sources of discrepancies at the one- and at the two-loop level. Finally we compare the OS and DR evaluation as implemented in NMSSMCALC. The results are important ingredients for an estimate of the theoretical precision of Higgs-boson mass calculations in the NMSSM. (orig.)

A semi-automated approach to derive elevation time-series and calculate glacier mass balance from historical aerial imagery

Science.gov (United States)

Whorton, E.; Headman, A.; Shean, D. E.; McCann, E.

2017-12-01

Understanding the implications of glacier recession on water resources in the western U.S. requires quantifying glacier mass change across large regions over several decades. Very few glaciers in North America have long-term continuous field measurements of glacier mass balance. However, systematic aerial photography campaigns began in 1957 on many glaciers in the western U.S. and Alaska. These historical, vertical aerial stereo-photographs documenting glacier evolution have recently become publically available. Digital elevation models (DEM) of the transient glacier surface preserved in each imagery timestamp can be derived, then differenced to calculate glacier volume and mass change to improve regional geodetic solutions of glacier mass balance. In order to batch process these data, we use Python-based algorithms and Agisoft Photoscan structure from motion (SfM) photogrammetry software to semi-automate DEM creation, and orthorectify and co-register historical aerial imagery in a high-performance computing environment. Scanned photographs are rotated to reduce scaling issues, cropped to the same size to remove fiducials, and batch histogram equalization is applied to improve image quality and aid pixel-matching algorithms using the Python library OpenCV. Processed photographs are then passed to Photoscan through the Photoscan Python library to create DEMs and orthoimagery. To extend the period of record, the elevation products are co-registered to each other, airborne LiDAR data, and DEMs derived from sub-meter commercial satellite imagery. With the exception of the placement of ground control points, the process is entirely automated with Python. Current research is focused on: one, applying these algorithms to create geodetic mass balance time series for the 90 photographed glaciers in Washington State and two, evaluating the minimal amount of positional information required in Photoscan to prevent distortion effects that cannot be addressed during co

Dynamical gluon masses in perturbative calculations at the loop level

International Nuclear Information System (INIS)

Machado, Fatima A.; Natale, Adriano A.

2013-01-01

Full text: In the phenomenology of strong interactions one always has to deal at some extent with the interplay between perturbative and non-perturbative QCD. On one hand, the former has quite developed tools, yielded by asymptotic freedom. On the other, concerning the latter, we nowadays envisage the following scenario: 1) There are strong evidences for a dynamically massive gluon propagator and infrared finite coupling constant; 2) There is an extensive and successful use of an infrared finite coupling constant in phenomenological calculations at tree level; 3) The infrared finite coupling improves the perturbative series convergence; 4) The dynamical gluon mass provides a natural infrared cutoff in the physical processes at the tree level. Considering this scenario it is natural to ask how these non-perturbative results can be used in perturbative calculations of physical observables at the loop level. Recent papers discuss how off-shell gauge and renormalization group invariant Green functions can be computed with the use of the Pinch Technique (PT), with IR divergences removed by the dynamical gluon mass, and using a well defined effective charge. In this work we improve the former results by the authors, which evaluate 1-loop corrections to some two- and three-point functions of SU(3) pure Yang-Mills, investigating the dressing of quantities that could account for an extension of loop calculations to the infrared domain of the theory, in a way applicable to phenomenological calculations. One of these improvements is maintaining the gluon propagator transverse in such a scheme. (author)

Precise Higgs mass calculations in (non-)minimal supersymmetry at both high and low scales

Energy Technology Data Exchange (ETDEWEB)

Athron, Peter [ARC Centre of Excellence for Particle Physics at the Terascale,School of Physics and Astronomy, Monash University,Melbourne, Victoria 3800 (Australia); Park, Jae-hyeon [Quantum Universe Center, Korea Institute for Advanced Study,85 Hoegiro Dongdaemungu, Seoul 02455 (Korea, Republic of); Steudtner, Tom; Stöckinger, Dominik [Institut für Kern- und Teilchenphysik, TU Dresden,Zellescher Weg 19, 01069 Dresden (Germany); Voigt, Alexander [Deutsches Elektronen-Synchrotron DESY,Notkestraße 85, 22607 Hamburg (Germany)

2017-01-18

We present FlexibleEFTHiggs, a method for calculating the SM-like Higgs pole mass in SUSY (and even non-SUSY) models, which combines an effective field theory approach with a diagrammatic calculation. It thus achieves an all order resummation of leading logarithms together with the inclusion of all non-logarithmic 1-loop contributions. We implement this method into FlexibleSUSY and study its properties in the MSSM, NMSSM, E{sub 6}SSM and MRSSM. In the MSSM, it correctly interpolates between the known results of effective field theory calculations in the literature for a high SUSY scale and fixed-order calculations in the full theory for a sub-TeV SUSY scale. We compare our MSSM results to those from public codes and identify the origin of the most significant deviations between the (DR)-bar programs. We then perform a similar comparison in the remaining three non-minimal models. For all four models we estimate the theoretical uncertainty of FlexibleEFTHiggs and the fixed-order (DR)-bar programs thereby finding that the former becomes more precise than the latter for a SUSY scale above a few TeV. Even for sub-TeV SUSY scales, FlexibleEFTHiggs maintains the uncertainty estimate around 2–3 GeV, remaining a competitive alternative to existing fixed-order computations.

Structural instability of atmospheric flows under perturbations of the mass balance and effect in transport calculations

International Nuclear Information System (INIS)

Núñez, M A; Mendoza, R

2015-01-01

Several methods to estimate the velocity field of atmospheric flows, have been proposed to the date for applications such as emergency response systems, transport calculations and for budget studies of all kinds. These applications require a wind field that satisfies the conservation of mass but, in general, estimated wind fields do not satisfy exactly the continuity equation. An approach to reduce the effect of using a divergent wind field as input in the transport-diffusion equations, was proposed in the literature. In this work, a linear local analysis of a wind field, is used to show analytically that the perturbation of a large-scale nondivergent flow can yield a divergent flow with a substantially different structure. The effects of these structural changes in transport calculations are illustrated by means of analytic solutions of the transport equation

Very fast isotopic and mass balance calculations used for strategic planing of the nuclear fuel cycle

International Nuclear Information System (INIS)

Marguet, S.D.

1993-01-01

Owing to the prevalence in France of nuclear generated electricity, the french utility, EDF focuses much research on fuel cycle strategy. In this context, analysis of scenarios combining problems related to planning and economics, but also reactor physics, necessitate a relatively thorough understanding of fuel response to irradiation. The main purpose of the fuel strategy program codes is to predict mass balance modifications with time for the main actinides involved in the cycle, including the minor actinides associated with the current back end fuel cycle key issues. Considering the large number of calculations performed by a strategy code in an iterative process covering a range of about a hundred years, it was important to develop basic computation modules for both the ''reactor'' and ''fabrication'' items. These had to be high speed routines, but on an accuracy level compatible with the strategy code efficiency. At the end of 1992, the EDF Research and Development Division (EDF/DER) developed a very simple, extremely fast method of calculating transuranian isotope masses. This approach, which resulted in the STRAPONTIN software, considerably increased the scope of the EDF/DER fuel strategy code TIRELIRE without undue impairment of machine time requirements for a scenario. (author). 2 figs., 2 tabs., 3 refs

Critical and subcritical mass calculations of fissionable nuclides based on JENDL-3.2+

International Nuclear Information System (INIS)

Okuno, H.

2002-01-01

We calculated critical and subcritical masses of 10 fissionable actinides ( 233 U, 235 U, 238 Pu, 239 Pu, 241 Pu, 242m Am, 243 Cm, 244 Cm, 249 Cf and 251 Cf) in metal and in metal-water mixtures (except 238 Pu and 244 Cm). The calculation was made with a combination of a continuous energy Monte Carlo neutron transport code, MCNP-4B2, and the latest released version of the Japanese Evaluated Nuclear Data Library, JENDL-3.2. Other evaluated nuclear data files, ENDF/B-VI, JEF-2.2, and JENDL-3.3 in its preliminary version were also applied to find differences in results originated from different nuclear data files. For the so-called big three fissiles ( 233 U, 235 U and 239 Pu), analyzing the criticality experiments cited in ICSBEP Handbook validated the code-library combination, and calculation errors were consequently evaluated. Estimated critical and lower limit critical masses of the big three in a sphere with/without a water or SS-304 reflector were supplied, and they were compared with the subcritical mass limits of ANS-8.1. (author)

Localized-overlap approach to calculations of intermolecular interactions

Science.gov (United States)

Rob, Fazle

Symmetry-adapted perturbation theory (SAPT) based on the density functional theory (DFT) description of the monomers [SAPT(DFT)] is one of the most robust tools for computing intermolecular interaction energies. Currently, one can use the SAPT(DFT) method to calculate interaction energies of dimers consisting of about a hundred atoms. To remove the methodological and technical limits and extend the size of the systems that can be calculated with the method, a novel approach has been proposed that redefines the electron densities and polarizabilities in a localized way. In the new method, accurate but computationally expensive quantum-chemical calculations are only applied for the regions where it is necessary and for other regions, where overlap effects of the wave functions are negligible, inexpensive asymptotic techniques are used. Unlike other hybrid methods, this new approach is mathematically rigorous. The main benefit of this method is that with the increasing size of the system the calculation scales linearly and, therefore, this approach will be denoted as local-overlap SAPT(DFT) or LSAPT(DFT). As a byproduct of developing LSAPT(DFT), some important problems concerning distributed molecular response, in particular, the unphysical charge-flow terms were eliminated. Additionally, to illustrate the capabilities of SAPT(DFT), a potential energy function has been developed for an energetic molecular crystal of 1,1-diamino-2,2-dinitroethylene (FOX-7), where an excellent agreement with the experimental data has been found.

A mass balance approach to investigate arsenic cycling in a petroleum plume.

Science.gov (United States)

Ziegler, Brady A; Schreiber, Madeline E; Cozzarelli, Isabelle M; Crystal Ng, G-H

2017-12-01

Natural attenuation of organic contaminants in groundwater can give rise to a series of complex biogeochemical reactions that release secondary contaminants to groundwater. In a crude oil contaminated aquifer, biodegradation of petroleum hydrocarbons is coupled with the reduction of ferric iron (Fe(III)) hydroxides in aquifer sediments. As a result, naturally occurring arsenic (As) adsorbed to Fe(III) hydroxides in the aquifer sediment is mobilized from sediment into groundwater. However, Fe(III) in sediment of other zones of the aquifer has the capacity to attenuate dissolved As via resorption. In order to better evaluate how long-term biodegradation coupled with Fe-reduction and As mobilization can redistribute As mass in contaminated aquifer, we quantified mass partitioning of Fe and As in the aquifer based on field observation data. Results show that Fe and As are spatially correlated in both groundwater and aquifer sediments. Mass partitioning calculations demonstrate that 99.9% of Fe and 99.5% of As are associated with aquifer sediment. The sediments act as both sources and sinks for As, depending on the redox conditions in the aquifer. Calculations reveal that at least 78% of the original As in sediment near the oil has been mobilized into groundwater over the 35-year lifespan of the plume. However, the calculations also show that only a small percentage of As (∼0.5%) remains in groundwater, due to resorption onto sediment. At the leading edge of the plume, where groundwater is suboxic, sediments sequester Fe and As, causing As to accumulate to concentrations 5.6 times greater than background concentrations. Current As sinks can serve as future sources of As as the plume evolves over time. The mass balance approach used in this study can be applied to As cycling in other aquifers where groundwater As results from biodegradation of an organic carbon point source coupled with Fe reduction. Copyright © 2017 Elsevier Ltd. All rights reserved.

Different top-down approaches to estimate measurement uncertainty of whole blood tacrolimus mass concentration values.

Science.gov (United States)

Rigo-Bonnin, Raül; Blanco-Font, Aurora; Canalias, Francesca

2018-05-08

Values of mass concentration of tacrolimus in whole blood are commonly used by the clinicians for monitoring the status of a transplant patient and for checking whether the administered dose of tacrolimus is effective. So, clinical laboratories must provide results as accurately as possible. Measurement uncertainty can allow ensuring reliability of these results. The aim of this study was to estimate measurement uncertainty of whole blood mass concentration tacrolimus values obtained by UHPLC-MS/MS using two top-down approaches: the single laboratory validation approach and the proficiency testing approach. For the single laboratory validation approach, we estimated the uncertainties associated to the intermediate imprecision (using long-term internal quality control data) and the bias (utilizing a certified reference material). Next, we combined them together with the uncertainties related to the calibrators-assigned values to obtain a combined uncertainty for, finally, to calculate the expanded uncertainty. For the proficiency testing approach, the uncertainty was estimated in a similar way that the single laboratory validation approach but considering data from internal and external quality control schemes to estimate the uncertainty related to the bias. The estimated expanded uncertainty for single laboratory validation, proficiency testing using internal and external quality control schemes were 11.8%, 13.2%, and 13.0%, respectively. After performing the two top-down approaches, we observed that their uncertainty results were quite similar. This fact would confirm that either two approaches could be used to estimate the measurement uncertainty of whole blood mass concentration tacrolimus values in clinical laboratories. Copyright © 2018 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Evolutionary calculations for planetary nebula nuclei with continuing mass loss and realistic starting conditions

International Nuclear Information System (INIS)

Faulkner, D.J.; Wood, P.R.

1984-01-01

Evolutionary calculations for nuclei of planetary nebulae are described. They were made using assumptions regarding mass of the NPN, phase in the He shell flash cycle at which the NPN leaves the AGB, and time variation of the mass loss rate. Comparison of the evolutionary tracks with the observational Harman-Seaton sequence indicates that some recently published NPN luminosities may be too low by a factor of three. Comparison of the calculated timescales with the observed properties of NPN and of white dwarfs provides marginal evidence for the PN ejection being initiated by the helium shell flash itself

Calculation of the mass transfer coefficient for the combustion of a carbon particle

Energy Technology Data Exchange (ETDEWEB)

Scala, Fabrizio [Istituto di Ricerche sulla Combustione - CNR, P.le Tecchio 80, 80125 Napoli (Italy)

2010-01-15

In this paper we address the calculation of the mass transfer coefficient around a burning carbon particle in an atmosphere of O{sub 2}, N{sub 2}, CO{sub 2}, CO, and H{sub 2}O. The complete set of Stefan-Maxwell equations is analytically solved under the assumption of no homogeneous reaction in the boundary layer. An expression linking the oxygen concentration and the oxygen flux at the particle surface (as a function of the bulk gas composition) is derived which can be used to calculate the mass transfer coefficient. A very simple approximate explicit expression is also given for the mass transfer coefficient, that is shown to be valid in the low oxygen flux limit or when the primary combustion product is CO{sub 2}. The results are given in terms of a correction factor to the equimolar counter-diffusion mass transfer coefficient, which is typically available in the literature for specific geometries and/or fluid-dynamic conditions. The significance of the correction factor and the accuracy of the different available expressions is illustrated for several cases of practical interest. Results show that under typical combustion conditions the use of the equimolar counter-diffusion mass transfer coefficient can lead to errors up to 10%. Larger errors are possible in oxygen-enriched conditions, while the error is generally low in oxy-combustion. (author)

Quark mass correction to the string potential

International Nuclear Information System (INIS)

Lambiase, G.; Nesterenko, V.V.

1995-01-01

A consistent method for calculating the interquark potential generated by the relativistic string with massive ends is proposed. In this approach the interquark potential in the model of the Nambu-Goto string with point-like masses at its ends is calculated. At first the calculation is done in the one-loop approximation and then the variational estimation is performed. The quark mass correction results in decreasing the critical distance (deconfinement radius). When quark mass decreases the critical distance also decreases. For obtaining a finite result under summation over eigenfrequencies of the Nambu-Goto string with massive ends a suitable mode-by-mode subtraction is proposed. This renormalization procedure proves to be completely unique. In the framework of the developed approach the one-loop interquark potential in the model of the relativistic string with rigidity is also calculated. 34 refs., 2 figs

Numerical calculation of hadron masses in lattice quantum chromodynamics

International Nuclear Information System (INIS)

Montvay, I.

1985-07-01

Recent numerical Monte Carlo simulations of the hadron spectrum are reviewed. After a general introduction, different ways of calculating the hadron masses in the ''quenched approximation'' (i.e. neglecting virtual quark loops) are described and the latest results are summarized. The pseudofermion method and the iterative hopping expansion method for the introduction of dynamical quarks is discussed, and the first results about the hadron spectrum including the effect of virtual quark loops are reviewed. A separate section is devoted to the discussion of the questions related to scaling with dynamical quarks. (orig./HSI)

Improving the accuracy of dynamic mass calculation

Directory of Open Access Journals (Sweden)

Oleksandr F. Dashchenko

2015-06-01

Full Text Available With the acceleration of goods transporting, cargo accounting plays an important role in today's global and complex environment. Weight is the most reliable indicator of the materials control. Unlike many other variables that can be measured indirectly, the weight can be measured directly and accurately. Using strain-gauge transducers, weight value can be obtained within a few milliseconds; such values correspond to the momentary load, which acts on the sensor. Determination of the weight of moving transport is only possible by appropriate processing of the sensor signal. The aim of the research is to develop a methodology for weighing freight rolling stock, which increases the accuracy of the measurement of dynamic mass, in particular wagon that moves. Apart from time-series methods, preliminary filtration for improving the accuracy of calculation is used. The results of the simulation are presented.

Missing mass calculator as a technique to reconstruct the mass of resonances decaying into tau pairs

Energy Technology Data Exchange (ETDEWEB)

Blumenschein, Ulla; De Maria, Antonio; Quadt, Arnulf; Zinonos, Zinonas [II. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany)

2016-07-01

An accurate reconstruction of a resonance mass decaying into a pair of tau leptons is a difficult task because of the presence of multiple undetected neutrinos from the tau decays. The Missing Mass Calculator (MMC) is a sophisticated method to optimise the reconstruction of this events. It is based on the requirement that mutual orientations of the neutrinos and other decay products are consistent with the mass and decay kinematics of a tau lepton. This is achieved by minimizing a likelihood function defined in the kinematically allowed phase space region. MMC was one of the most powerful tools used in SM-Higgs to tau tau searches in Run1 at LHC. Now, in Run2, LHC collides proton-proton at center of mass energy √(s) = 13 TeV and at higher luminosity. Therefore, many efforts need to be done to optimise the analysis tools to the new experimental conditions. Amongst these tools, MMC requires to be retuned in order to play a key role again in the searches of the Higgs boson in di-tau final states. This talk outlines the main aspects of the MMC retuning and the impact on its performance.

Precise calculation of the dilepton invariant-mass spectrum and the decay rate in B±→π±μ+μ- in the SM

International Nuclear Information System (INIS)

Ali, Ahmed; Parkhomenko, Alexander Ya.; Rusov, Aleksey V.

2013-12-01

We present a precise calculation of the dilepton invariant-mass spectrum and the decay rate for B ± →π ± l + l - (l ± =e ± ,μ ± ) in the Standard Model (SM) based on the effective Hamiltonian approach for the b→dl + l - transitions. With the Wilson coefficients already known in the next-to-next-to-leading logarithmic (NNLL) accuracy, the remaining theoretical uncertainty in the short-distance contribution resides in the form factors f + (q 2 ), f 0 (q 2 ) and f T (q 2 ). Of these, f + (q 2 ) is well measured in the charged-current semileptonic decays B→πlν l and we use the B-factory data to parametrize it. The corresponding form factors for the B→K transitions have been calculated in the Lattice-QCD approach for large-q 2 and extrapolated to the entire q 2 -region using the so-called z-expansion. Using an SU(3) F -breaking Ansatz, we calculate the B→π tensor form factor, which is consistent with the recently reported lattice B→π analysis obtained at large q 2 . The prediction for the total branching fraction B(B ± →π ± μ + μ - )=(1.88 +0.32 -0.21 ) x 10 -8 is in good agreement with the experimental value obtained by the LHCb collaboration. In the low q 2 -region, the Heavy-Quark Symmetry (HQS) relates the three form factors with each other. Accounting for the leading-order symmetry-breaking effects, and using data from the charged-current process B→πlν l to determine f + (q 2 ), we calculate the dilepton invariant-mass distribution in the low q 2 -region in the B ± →π ± l + l - decay. This provides a model-independent and precise calculation of the partial branching ratio for this decay.

(S)fermion masses and lepton flavor violation. A democratic approach

International Nuclear Information System (INIS)

Hamaguchi, K.; Kakizaki, Mitsuru; Yamaguchi, Masahiro

2004-01-01

It is well-known that flavor mixing among the sfermion masses must be quite suppressed to survive various FCNC experimental bounds. One of the solutions to this supersymmetric FCNC problem is an alignment mechanism in which sfermion masses and fermion masses have some common origin and thus they are somehow aligned to each other. We propose a democratic approach to realize this idea, and illustrate how it has different predictions in slepton masses as well as lepton flavor violation from a more conventional minimal supergravity approach. This talk is based on our work in Ref. 1. (author)

Experimental-theoretical approach to carbon monoxide density calculation at the incipient stage of the fire indoors

Science.gov (United States)

Puzach, S. V.; Suleykin, E. V.; Akperov, R. G.; Nguyen, T. D.

2017-11-01

A new experimental-theoretical approach to the toxic gases concentrations assessment in case of fire indoors is offered. The analytical formulas for calculation of CO average volume density are received. These formulas do not contain the geometrical sizes of the room and surfaces dimensions of combustible materials and, therefore, are valid under conditions of as a small-scale fire as a large-scale fire. A small-scale experimental installation for modeling fire thermal and gas dynamics in the closed or open thermodynamic system has been designed. The results of the experiments on determining dependencies of CO average volume density from average volume temperature and oxygen average volume density as well as dependencies of specific coefficients of CO emission and specific mass rates of the combustible material gasification from the time of tests during the burning of wood, transformer oil and PVC cables shield are presented. The results of numerical experiments on CO density calculation in small and large scale rooms using the proposed analytical solutions, integral, zone and field models for calculation of fire thermal and gas dynamics are presented. The comparison with the experimental data obtained by the authors and given in the literature has been performed. It is shown that CO density calculation in the full-scale room at the incipient stage of the fire can be carried out taking into account only the experimental dependences of CO from temperature or O2 density, that have been obtained from small-scale experiments. Therefore the solution of the equation of carbon monoxide mass conservation law is not necessary.

A new approach for soil-plant transfer calculations

International Nuclear Information System (INIS)

Dorp, F. van; Eleveld, R.; Frissel, M.J.

1979-01-01

Models to calculate radiation doses to man caused by normal or accidental release of radionuclides from nuclear industries often include the transfer of these nuclides from soil to plant. This soil-plant transfer is mostly described with a black box approach by using concentration factors. This approach has several disadvantages, the most important being the lack of physical meaning of a concentration factor. We propose to describe the soil-plant transfer of radionuclides as a function of plant and soil parameters all having a physical meaning. The separate parameters are open to experimental determination but a realistic estimation of the parameters is also possible, or the use of a combination of both. Depending on the purpose of the calculation, realistic or conservative values of the parameters can be used and the degree of conservatism can be indicated. (author)

A new approach for accurate mass assignment on a multi-turn time-of-flight mass spectrometer.

Science.gov (United States)

Hondo, Toshinobu; Jensen, Kirk R; Aoki, Jun; Toyoda, Michisato

2017-12-01

A simple, effective accurate mass assignment procedure for a time-of-flight mass spectrometer is desirable. External mass calibration using a mass calibration standard together with an internal mass reference (lock mass) is a common technique for mass assignment, however, using polynomial fitting can result in mass-dependent errors. By using the multi-turn time-of-flight mass spectrometer infiTOF-UHV, we were able to obtain multiple time-of-flight data from an ion monitored under several different numbers of laps that was then used to calculate a mass calibration equation. We have developed a data acquisition system that simultaneously monitors spectra at several different lap conditions with on-the-fly centroid determination and scan law estimation, which is a function of acceleration voltage, flight path, and instrumental time delay. Less than 0.9 mDa mass errors were observed for assigned mass to charge ratios ( m/z) ranging between 4 and 134 using only 40 Ar + as a reference. It was also observed that estimating the scan law on-the-fly provides excellent mass drift compensation.

A matched expansion approach to practical self-force calculations

International Nuclear Information System (INIS)

Anderson, Warren G; Wiseman, Alan G

2005-01-01

We discuss a practical method of computing the self-force on a particle moving through a curved spacetime. This method involves two expansions to calculate the self-force, one arising from the particle's immediate past and the other from the more distant past. The expansion in the immediate past is a covariant Taylor series and can be carried out for all geometries. The more distant expansion is a mode sum, and may be carried out in those cases where the wave equation for the field mediating the self-force admits a mode expansion of the solution. In particular, this method can be used to calculate the gravitational self-force for a particle of mass μ orbiting a black hole of mass M to order μ 2 , provided μ/M << 1. We discuss how to use these two expansions to construct a full self-force, and in particular investigate criteria for matching the two expansions. As with all methods of computing self-forces for particles moving in black hole spacetimes, one encounters considerable technical difficulty in applying this method; nevertheless, it appears that the convergence of each series is good enough that a practical implementation may be plausible

Spent Nuclear Fuel (SNF) Project Canister Storage Building (CSB) Process Flow Diagram Mass Balance Calculations

International Nuclear Information System (INIS)

KLEM, M.J.

2000-01-01

The purpose of these calculations is to develop the material balances for documentation of the Canister Storage Building (CSB) Process Flow Diagram (PFD) and future reference. The attached mass balances were prepared to support revision two of the PFD for the CSB. The calculations refer to diagram H-2-825869

Approximate calculation of electronic energy levels of axially symmetric quantum dot and quantum ring by using energy dependent effective mass

International Nuclear Information System (INIS)

Yu-Min, Liu; Zhong-Yuan, Yu; Xiao-Min, Ren

2009-01-01

Calculations of electronic structures about the semiconductor quantum dot and the semiconductor quantum ring are presented in this paper. To reduce the calculation costs, for the quantum dot and the quantum ring, their simplified axially symmetric shapes are utilized in our analysis. The energy dependent effective mass is taken into account in solving the Schrödinger equations in the single band effective mass approximation. The calculated results show that the energy dependent effective mass should be considered only for relatively small volume quantum dots or small quantum rings. For large size quantum materials, both the energy dependent effective mass and the parabolic effective mass can give the same results. The energy states and the effective masses of the quantum dot and the quantum ring as a function of geometric parameters are also discussed in detail. (general)

Prediction of fission mass-yield distributions based on cross section calculations

International Nuclear Information System (INIS)

Hambsch, F.-J.; G.Vladuca; Tudora, Anabella; Oberstedt, S.; Ruskov, I.

2005-01-01

For the first time, fission mass-yield distributions have been predicted based on an extended statistical model for fission cross section calculations. In this model, the concept of the multi-modality of the fission process has been incorporated. The three most dominant fission modes, the two asymmetric standard I (S1) and standard II (S2) modes and the symmetric superlong (SL) mode are taken into account. De-convoluted fission cross sections for S1, S2 and SL modes for 235,238 U(n, f) and 237 Np(n, f), based on experimental branching ratios, were calculated for the first time in the incident neutron energy range from 0.01 to 5.5 MeV providing good agreement with the experimental fission cross section data. The branching ratios obtained from the modal fission cross section calculations have been used to deduce the corresponding fission yield distributions, including mean values also for incident neutron energies hitherto not accessible to experiment

Validation study of an interpolation method for calculating whole lung volumes and masses from reduced numbers of CT-images in ponies.

Science.gov (United States)

Reich, H; Moens, Y; Braun, C; Kneissl, S; Noreikat, K; Reske, A

2014-12-01

Quantitative computer tomographic analysis (qCTA) is an accurate but time intensive method used to quantify volume, mass and aeration of the lungs. The aim of this study was to validate a time efficient interpolation technique for application of qCTA in ponies. Forty-one thoracic computer tomographic (CT) scans obtained from eight anaesthetised ponies positioned in dorsal recumbency were included. Total lung volume and mass and their distribution into four compartments (non-aerated, poorly aerated, normally aerated and hyperaerated; defined based on the attenuation in Hounsfield Units) were determined for the entire lung from all 5 mm thick CT-images, 59 (55-66) per animal. An interpolation technique validated for use in humans was then applied to calculate qCTA results for lung volumes and masses from only 10, 12, and 14 selected CT-images per scan. The time required for both procedures was recorded. Results were compared statistically using the Bland-Altman approach. The bias ± 2 SD for total lung volume calculated from interpolation of 10, 12, and 14 CT-images was -1.2 ± 5.8%, 0.1 ± 3.5%, and 0.0 ± 2.5%, respectively. The corresponding results for total lung mass were -1.1 ± 5.9%, 0.0 ± 3.5%, and 0.0 ± 3.0%. The average time for analysis of one thoracic CT-scan using the interpolation method was 1.5-2 h compared to 8 h for analysis of all images of one complete thoracic CT-scan. The calculation of pulmonary qCTA data by interpolation from 12 CT-images was applicable for equine lung CT-scans and reduced the time required for analysis by 75%. Copyright © 2014 Elsevier Ltd. All rights reserved.

Computer-aided detection of masses in digital tomosynthesis mammography: Comparison of three approaches

International Nuclear Information System (INIS)

Chan Heangping; Wei Jun; Zhang Yiheng; Helvie, Mark A.; Moore, Richard H.; Sahiner, Berkman; Hadjiiski, Lubomir; Kopans, Daniel B.

2008-01-01

The authors are developing a computer-aided detection (CAD) system for masses on digital breast tomosynthesis mammograms (DBT). Three approaches were evaluated in this study. In the first approach, mass candidate identification and feature analysis are performed in the reconstructed three-dimensional (3D) DBT volume. A mass likelihood score is estimated for each mass candidate using a linear discriminant analysis (LDA) classifier. Mass detection is determined by a decision threshold applied to the mass likelihood score. A free response receiver operating characteristic (FROC) curve that describes the detection sensitivity as a function of the number of false positives (FPs) per breast is generated by varying the decision threshold over a range. In the second approach, prescreening of mass candidate and feature analysis are first performed on the individual two-dimensional (2D) projection view (PV) images. A mass likelihood score is estimated for each mass candidate using an LDA classifier trained for the 2D features. The mass likelihood images derived from the PVs are backprojected to the breast volume to estimate the 3D spatial distribution of the mass likelihood scores. The FROC curve for mass detection can again be generated by varying the decision threshold on the 3D mass likelihood scores merged by backprojection. In the third approach, the mass likelihood scores estimated by the 3D and 2D approaches, described above, at the corresponding 3D location are combined and evaluated using FROC analysis. A data set of 100 DBT cases acquired with a GE prototype system at the Breast Imaging Laboratory in the Massachusetts General Hospital was used for comparison of the three approaches. The LDA classifiers with stepwise feature selection were designed with leave-one-case-out resampling. In FROC analysis, the CAD system for detection in the DBT volume alone achieved test sensitivities of 80% and 90% at average FP rates of 1.94 and 3.40 per breast, respectively. With the

Improved perturbative calculations in field theory; Calculation of the mass spectrum and constraints on the supersymmetric standard model; Calculs perturbatifs variationnellement ameliores en theorie des champs; Calcul du spectre et contraintes sur le modele supersymetrique standard

Energy Technology Data Exchange (ETDEWEB)

Kneur, J.L

2006-06-15

This document is divided into 2 parts. The first part describes a particular re-summation technique of perturbative series that can give a non-perturbative results in some cases. We detail some applications in field theory and in condensed matter like the calculation of the effective temperature of Bose-Einstein condensates. The second part deals with the minimal supersymmetric standard model. We present an accurate calculation of the mass spectrum of supersymmetric particles, a calculation of the relic density of supersymmetric black matter, and the constraints that we can infer from models.

Application of the relativistic mean-field mass model to the r-process and the influence of mass uncertainties

International Nuclear Information System (INIS)

Sun, B.; Montes, F.; Geng, L. S.; Geissel, H.; Litvinov, Yu. A.; Meng, J.

2008-01-01

A new mass table calculated by the relativistic mean-field approach with the state-dependent BCS method for the pairing correlation is applied for the first time to study r-process nucleosynthesis. The solar r-process abundance is well reproduced within a waiting-point approximation approach. Using an exponential fitting procedure to find the required astrophysical conditions, the influence of mass uncertainty is investigated. The r-process calculations using the FRDM, ETFSI-Q, and HFB-13 mass tables have been used for that purpose. It is found that the nuclear physical uncertainty can significantly influence the deduced astrophysical conditions for the r-process site. In addition, the influence of the shell closure and shape transition have been examined in detail in the r-process simulations

Comparison of different source calculations in two-nucleon channel at large quark mass

Science.gov (United States)

Yamazaki, Takeshi; Ishikawa, Ken-ichi; Kuramashi, Yoshinobu

2018-03-01

We investigate a systematic error coming from higher excited state contributions in the energy shift of light nucleus in the two-nucleon channel by comparing two different source calculations with the exponential and wall sources. Since it is hard to obtain a clear signal of the wall source correlation function in a plateau region, we employ a large quark mass as the pion mass is 0.8 GeV in quenched QCD. We discuss the systematic error in the spin-triplet channel of the two-nucleon system, and the volume dependence of the energy shift.

Fission neutron multiplicity calculations

International Nuclear Information System (INIS)

Maerten, H.; Ruben, A.; Seeliger, D.

1991-01-01

A model for calculating neutron multiplicities in nuclear fission is presented. It is based on the solution of the energy partition problem as function of mass asymmetry within a phenomenological approach including temperature-dependent microscopic energies. Nuclear structure effects on fragment de-excitation, which influence neutron multiplicities, are discussed. Temperature effects on microscopic energy play an important role in induced fission reactions. Calculated results are presented for various fission reactions induced by neutrons. Data cover the incident energy range 0-20 MeV, i.e. multiple chance fission is considered. (author). 28 refs, 13 figs

Amputations in natural disasters and mass casualties: staged approach.

Science.gov (United States)

Wolfson, Nikolaj

2012-10-01

Amputation is a commonly performed procedure during natural disasters and mass casualties related to industrial accidents and military conflicts where large civilian populations are subjected to severe musculoskeletal trauma. Crush injuries and crush syndrome, an often-overwhelming number of casualties, delayed presentations, regional cultural and other factors, all can mandate a surgical approach to amputation that is different than that typically used under non-disaster conditions. The following article will review the subject of amputation during natural disasters and mass casualties with emphasis on a staged approach to minimise post-surgical complications, especially infection.

Error estimates for ice discharge calculated using the flux gate approach

Science.gov (United States)

Navarro, F. J.; Sánchez Gámez, P.

2017-12-01

Ice discharge to the ocean is usually estimated using the flux gate approach, in which ice flux is calculated through predefined flux gates close to the marine glacier front. However, published results usually lack a proper error estimate. In the flux calculation, both errors in cross-sectional area and errors in velocity are relevant. While for estimating the errors in velocity there are well-established procedures, the calculation of the error in the cross-sectional area requires the availability of ground penetrating radar (GPR) profiles transverse to the ice-flow direction. In this contribution, we use IceBridge operation GPR profiles collected in Ellesmere and Devon Islands, Nunavut, Canada, to compare the cross-sectional areas estimated using various approaches with the cross-sections estimated from GPR ice-thickness data. These error estimates are combined with those for ice-velocities calculated from Sentinel-1 SAR data, to get the error in ice discharge. Our preliminary results suggest, regarding area, that the parabolic cross-section approaches perform better than the quartic ones, which tend to overestimate the cross-sectional area for flight lines close to the central flowline. Furthermore, the results show that regional ice-discharge estimates made using parabolic approaches provide reasonable results, but estimates for individual glaciers can have large errors, up to 20% in cross-sectional area.

Mass dispersions in a time-dependent mean-field approach

International Nuclear Information System (INIS)

Balian, R.; Bonche, P.; Flocard, H.; Veneroni, M.

1984-05-01

Characteristic functions for single-particle (s.p.) observables are evaluated by means of a time-dependent variational principle, which involves a state and an observable as conjugate variables. This provides a mean-field expression for fluctuations of s.p. observables, such as mass dispersions. The result differs from TDHF, it requires only the use of existing codes, and it presents attractive theoretical features. First numerical tests are encouraging. In particular, a calculation for 16 O + 16 O provides a significant increase of the predicted mass dispersion

Review: Management of adnexal masses: An age-guided approach ...

African Journals Online (AJOL)

Adnexal masses in different age groups may need different management approaches. By elimination of the type of mass that is less likely in a specific age group one can identify the most prevalent group which can guide management. Most important of all, the probability of malignancy must either be identified or ruled out.

Calculation of Si(Li) x-ray detector efficiencies

International Nuclear Information System (INIS)

Zaluzec, N.; Holton, R.

1984-01-01

The calculation of detector efficiency functions is an important step in the quantitative analysis of x-ray spectra when approached by a standardless technique. In this regard, it becomes essential that the analyst not only model the physical aspects of the absorption and transmission of the various windows present, but also use the most accurate data available for the mass absorption coefficients required in these calculations. The topic of modeling the size and shape of the windows present is beyond the scope of this paper and the authors instead concentrate on the mass absorption coefficients used in the calculations and their implications to efficiency calculations. For the purposes of this paper, the authors consider that the relative detector efficiency function of a conventional Si(Li) detector can be modeled by a simple expression

Microscopic calculation of level densities: the shell model Monte Carlo approach

International Nuclear Information System (INIS)

Alhassid, Yoram

2012-01-01

The shell model Monte Carlo (SMMC) approach provides a powerful technique for the microscopic calculation of level densities in model spaces that are many orders of magnitude larger than those that can be treated by conventional methods. We discuss a number of developments: (i) Spin distribution. We used a spin projection method to calculate the exact spin distribution of energy levels as a function of excitation energy. In even-even nuclei we find an odd-even staggering effect (in spin). Our results were confirmed in recent analysis of experimental data. (ii) Heavy nuclei. The SMMC approach was extended to heavy nuclei. We have studied the crossover between vibrational and rotational collectivity in families of samarium and neodymium isotopes in model spaces of dimension approx. 10 29 . We find good agreement with experimental results for both state densities and 2 > (where J is the total spin). (iii) Collective enhancement factors. We have calculated microscopically the vibrational and rotational enhancement factors of level densities versus excitation energy. We find that the decay of these enhancement factors in heavy nuclei is correlated with the pairing and shape phase transitions. (iv) Odd-even and odd-odd nuclei. The projection on an odd number of particles leads to a sign problem in SMMC. We discuss a novel method to calculate state densities in odd-even and odd-odd nuclei despite the sign problem. (v) State densities versus level densities. The SMMC approach has been used extensively to calculate state densities. However, experiments often measure level densities (where levels are counted without including their spin degeneracies.) A spin projection method enables us to also calculate level densities in SMMC. We have calculated the SMMC level density of 162 Dy and found it to agree well with experiments

RSMASS: A simple model for estimating reactor and shield masses

International Nuclear Information System (INIS)

Marshall, A.C.; Aragon, J.; Gallup, D.

1987-01-01

A simple mathematical model (RSMASS) has been developed to provide rapid estimates of reactor and shield masses for space-based reactor power systems. Approximations are used rather than correlations or detailed calculations to estimate the reactor fuel mass and the masses of the moderator, structure, reflector, pressure vessel, miscellaneous components, and the reactor shield. The fuel mass is determined either by neutronics limits, thermal/hydraulic limits, or fuel damage limits, whichever yields the largest mass. RSMASS requires the reactor power and energy, 24 reactor parameters, and 20 shield parameters to be specified. This parametric approach should be applicable to a very broad range of reactor types. Reactor and shield masses calculated by RSMASS were found to be in good agreement with the masses obtained from detailed calculations

Nuclear structure calculations for astrophysical applications

International Nuclear Information System (INIS)

Moeller, P.; Kratz, K.L.

1992-01-01

Here we present calculated results on such diverse properties as nuclear energy levels, ground-state masses and shapes, β-decay properties and fission-barrier heights. Our approach to these calculations is to use a unified theoretical framework within which the above properties can all be studied. The results are obtained in the macroscopic-microscopic approach in which a microscopic nuclear-structure single-particle model with extensions is combined with a macroscopic model, such as the liquid drop model. In this model the total potential energy of the nucleus may be calculated as a function of shape. The maxima and minima in this function correspond to such features as the ground state, fission saddle points and shape-isomeric states. Various transition rate matrix elements are determined from wave-functions calculated in the single-particle model with pairing and other relevant residual interactions taken into account

Structure function of off-mass-shell pions and the calculation of the Sullivan process

International Nuclear Information System (INIS)

Shakin, C.M.; Sun, W.

1994-01-01

We construct a model for the pion (valence) structure function that fits the experimental data obtained in the study of the Drell-Yan process. The model may also be used to calculate the structure function of off-mass-shell pions. We apply our model in the study of deep-inelastic scattering from off-mass-shell pions found in the nucleon and are thus able to resolve a problem encountered in the standard analysis of such processes. The usual analysis is made using the structure function of on-mass-shell pions and requires the use of a soft πNN form factor that is inconsistent with standard nuclear physics phenomenology. The use of our off-mass-shell structure functions allows for a fit to the data for nonperturbative aspects of the nucleon ''sea'' with a pion-nucleon form factor of the standard form

Investigation of naproxen drug using mass spectrometry, thermal analyses and semi-empirical molecular orbital calculation

Directory of Open Access Journals (Sweden)

M.A. Zayed

2017-03-01

Full Text Available Naproxen (C14H14O3 is a non-steroidal anti-inflammatory drug (NSAID. It is important to investigate its structure to know the active groups and weak bonds responsible for medical activity. In the present study, naproxen was investigated by mass spectrometry (MS, thermal analysis (TA measurements (TG/DTG and DTA and confirmed by semi empirical molecular orbital (MO calculation, using PM3 procedure. These calculations included, bond length, bond order, bond strain, partial charge distribution, ionization energy and heat of formation (ΔHf. The mass spectra and thermal analysis fragmentation pathways were proposed and compared to select the most suitable scheme representing the correct fragmentation pathway of the drug in both techniques. The PM3 procedure reveals that the primary cleavage site of the charged molecule is the rupture of the COOH group (lowest bond order and high strain which followed by CH3 loss of the methoxy group. Thermal analysis of the neutral drug reveals a high response to the temperature variation with very fast rate. It decomposed in several sequential steps in the temperature range 80–400 °C. These mass losses appear as two endothermic and one exothermic peaks which required energy values of 255.42, 10.67 and 371.49 J g−1 respectively. The initial thermal ruptures are similar to that obtained by mass spectral fragmentation (COOH rupture. It was followed by the loss of the methyl group and finally by ethylene loss. Therefore, comparison between MS and TA helps in selection of the proper pathway representing its fragmentation. This comparison is successfully confirmed by MO-calculation.

A Lattice Calculation of Parton Distributions

International Nuclear Information System (INIS)

Alexandrou, Constantia; Cichy, Krzysztof; Poznan Univ.; Drach, Vincent; Univ. of Southern Denmark, Odense; Garcia-Ramos, Elena; Humboldt-Universitaet, Berlin; Hadjiyiannakou, Kyriakos; Jansen, Karl; Steffens, Fernanda; Wiese, Christian

2015-04-01

We report on our exploratory study for the direct evaluation of the parton distribution functions from lattice QCD, based on a recently proposed new approach. We present encouraging results using N f =2+1+1 twisted mass fermions with a pion mass of about 370 MeV. The focus of this work is a detailed description of the computation, including the lattice calculation, the matching to an infinite momentum and the nucleon mass correction. In addition, we test the effect of gauge link smearing in the operator to estimate the influence of the Wilson line renormalization, which is yet to be done.

A semi-mechanistic approach to calculate the probability of fuel defects

International Nuclear Information System (INIS)

Tayal, M.; Millen, E.; Sejnoha, R.

1992-10-01

In this paper the authors describe the status of a semi-mechanistic approach to the calculation of the probability of fuel defects. This approach expresses the defect probability in terms of fundamental parameters such as local stresses, local strains, and fission product concentration. The calculations of defect probability continue to reflect the influences of the conventional parameters like power ramp, burnup and CANLUB. In addition, the new approach provides a mechanism to account for the impacts of additional factors involving detailed fuel design and reactor operation, for example pellet density, pellet shape and size, sheath diameter and thickness, pellet/sheath clearance, and coolant temperature and pressure. The approach has been validated against a previous empirical correlation. AN illustrative example shows how the defect thresholds are influenced by changes in the internal design of the element and in the coolant pressure. (Author) (7 figs., tab., 12 refs.)

Nuclear structure effects on calculated fast neutron reaction cross sections

International Nuclear Information System (INIS)

Avrigeanu, V.

1992-01-01

The importance of accurate low-lying level schemes for reaction cross section calculation and need for microscopically calculated levels are proved with reference to fast neutron induced reactions in the A = 50 atomic mass range. The uses of the discrete levels both for normalization of phenomenological level density approaches and within Hauser-Feshbach calculations are discussed in this respect. (Author)

Effective source approach to self-force calculations

International Nuclear Information System (INIS)

Vega, Ian; Wardell, Barry; Diener, Peter

2011-01-01

Numerical evaluation of the self-force on a point particle is made difficult by the use of delta functions as sources. Recent methods for self-force calculations avoid delta functions altogether, using instead a finite and extended 'effective source' for a point particle. We provide a review of the general principles underlying this strategy, using the specific example of a scalar point charge moving in a black hole spacetime. We also report on two new developments: (i) the construction and evaluation of an effective source for a scalar charge moving along a generic orbit of an arbitrary spacetime, and (ii) the successful implementation of hyperboloidal slicing that significantly improves on previous treatments of boundary conditions used for effective-source-based self-force calculations. Finally, we identify some of the key issues related to the effective source approach that will need to be addressed by future work.

The charged Higgs boson mass of the MSSM in the Feynman-diagrammatic approach

Energy Technology Data Exchange (ETDEWEB)

Frank, M. [Karlsruhe Univ. (Germany). Inst. fuer Theoretische Physik; Galeta, L.; Heinemeyer, S. [Instituto de Fisica de Cantabria (CSIC-UC), Santander (Spain); Hahn, T.; Hollik, W. [Max-Planck-Institut fuer Physik (Werner-Heisenberg-Institut), Muenchen (Germany); Rzehak, H. [CERN, Geneva (Switzerland); Weiglein, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2013-06-15

The interpretation of the Higgs signal at {proportional_to}126 GeV within the Minimal Supersymmetric Standard Model (MSSM) depends crucially on the predicted properties of the other Higgs states of the model, as the mass of the charged Higgs boson, M{sub H}{sup {sub {+-}}}. This mass is calculated in the Feynman-diagrammatic approach within the MSSM with real parameters. The result includes the complete one-loop contributions and the two-loop contributions of O({alpha}{sub t}{alpha}{sub s}). The one-loop contributions lead to sizable shifts in the M{sub H}{sup {sub {+-}}} prediction, reaching up to {proportional_to}8 GeV for relatively small values of M{sub A}. Even larger effects can occur depending on the sign and size of the {mu} parameter that enters the corrections affecting the relation between the bottom-quark mass and the bottom Yukawa coupling. The two-loop O({alpha}{sub t}{alpha}{sub s}) terms can shift M{sub H}{sup {sub {+-}}} by more than 2 GeV. The two-loop contributions amount to typically about 30% of the one-loop corrections for the examples that we have studied. These effects can be relevant for precision analyses of the charged MSSM Higgs boson.

Werner-Wheeler mass tensor for fusionlike configuration

International Nuclear Information System (INIS)

Gherghescu, R.A.; Poenaru, D.N.

2005-01-01

The Werner-Wheeler approach is used to calculate the components of the mass tensor for a binary configuration of two intersected spheroids. Four free coordinates form the deformation space: the small semiaxis of the projectile, the two semiaxis ratios of the spheroids, and the distance between centers. A correction term is also calculated, due to the center of mass motion. Final results are presented for the fusion channel 54 Cr+ 240 Pu, and all possible couplings are analyzed

First-principles X-ray absorption dose calculation for time-dependent mass and optical density.

Science.gov (United States)

Berejnov, Viatcheslav; Rubinstein, Boris; Melo, Lis G A; Hitchcock, Adam P

2018-05-01

A dose integral of time-dependent X-ray absorption under conditions of variable photon energy and changing sample mass is derived from first principles starting with the Beer-Lambert (BL) absorption model. For a given photon energy the BL dose integral D(e, t) reduces to the product of an effective time integral T(t) and a dose rate R(e). Two approximations of the time-dependent optical density, i.e. exponential A(t) = c + aexp(-bt) for first-order kinetics and hyperbolic A(t) = c + a/(b + t) for second-order kinetics, were considered for BL dose evaluation. For both models three methods of evaluating the effective time integral are considered: analytical integration, approximation by a function, and calculation of the asymptotic behaviour at large times. Data for poly(methyl methacrylate) and perfluorosulfonic acid polymers measured by scanning transmission soft X-ray microscopy were used to test the BL dose calculation. It was found that a previous method to calculate time-dependent dose underestimates the dose in mass loss situations, depending on the applied exposure time. All these methods here show that the BL dose is proportional to the exposure time D(e, t) ≃ K(e)t.

Development of a locally mass flux conservative computer code for calculating 3-D viscous flow in turbomachines

Science.gov (United States)

Walitt, L.

1982-01-01

The VANS successive approximation numerical method was extended to the computation of three dimensional, viscous, transonic flows in turbomachines. A cross-sectional computer code, which conserves mass flux at each point of the cross-sectional surface of computation was developed. In the VANS numerical method, the cross-sectional computation follows a blade-to-blade calculation. Numerical calculations were made for an axial annular turbine cascade and a transonic, centrifugal impeller with splitter vanes. The subsonic turbine cascade computation was generated in blade-to-blade surface to evaluate the accuracy of the blade-to-blade mode of marching. Calculated blade pressures at the hub, mid, and tip radii of the cascade agreed with corresponding measurements. The transonic impeller computation was conducted to test the newly developed locally mass flux conservative cross-sectional computer code. Both blade-to-blade and cross sectional modes of calculation were implemented for this problem. A triplet point shock structure was computed in the inducer region of the impeller. In addition, time-averaged shroud static pressures generally agreed with measured shroud pressures. It is concluded that the blade-to-blade computation produces a useful engineering flow field in regions of subsonic relative flow; and cross-sectional computation, with a locally mass flux conservative continuity equation, is required to compute the shock waves in regions of supersonic relative flow.

Model calculation of the characteristic mass for convective and diffusive vapor transport in graphite furnace atomic absorption spectrometry

Energy Technology Data Exchange (ETDEWEB)

Bencs, László, E-mail: bencs.laszlo@wigner.mta.hu [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Laczai, Nikoletta [Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest (Hungary); Ajtony, Zsolt [Institute of Food Science, University of West Hungary, H-9200 Mosonmagyaróvár, Lucsony utca 15–17 (Hungary)

2015-07-01

A combination of former convective–diffusive vapor-transport models is described to extend the calculation scheme for sensitivity (characteristic mass — m{sub 0}) in graphite furnace atomic absorption spectrometry (GFAAS). This approach encompasses the influence of forced convection of the internal furnace gas (mini-flow) combined with concentration diffusion of the analyte atoms on the residence time in a spatially isothermal furnace, i.e., the standard design of the transversely heated graphite atomizer (THGA). A couple of relationships for the diffusional and convectional residence times were studied and compared, including in factors accounting for the effects of the sample/platform dimension and the dosing hole. These model approaches were subsequently applied for the particular cases of Ag, As, Cd, Co, Cr, Cu, Fe, Hg, Mg, Mn, Mo, Ni, Pb, Sb, Se, Sn, V and Zn analytes. For the verification of the accuracy of the calculations, the experimental m{sub 0} values were determined with the application of a standard THGA furnace, operating either under stopped, or mini-flow (50 cm{sup 3} min{sup −1}) of the internal sheath gas during atomization. The theoretical and experimental ratios of m{sub 0}(mini-flow)-to-m{sub 0}(stop-flow) were closely similar for each study analyte. Likewise, the calculated m{sub 0} data gave a fairly good agreement with the corresponding experimental m{sub 0} values for stopped and mini-flow conditions, i.e., it ranged between 0.62 and 1.8 with an average of 1.05 ± 0.27. This indicates the usability of the current model calculations for checking the operation of a given GFAAS instrument and the applied methodology. - Highlights: • A calculation scheme for convective–diffusive vapor loss in GFAAS is described. • Residence time (τ) formulas were compared for sensitivity (m{sub 0}) in a THGA furnace. • Effects of the sample/platform dimension and dosing hole on τ were assessed. • Theoretical m{sub 0} of 18 analytes were

Research of connection between mass audience and new media. Approaches to new model of mass communication measurement

OpenAIRE

Sibiriakova Olena Oleksandrivna

2015-01-01

In this research the author examines changes to approaches of observation of mass communication. As a result of systemization of key theoretical models of communication, the author comes to conclusion of evolution of ideas about the process of mass communication measurement from linear to multisided and multiple.

Comparison of electron transmittances and tunneling currents in an anisotropic TiNx/HfO2/SiO2/p-Si(100) metal-oxide-semiconductor (MOS) capacitor calculated using exponential- and Airy-wavefunction approaches and a transfer matrix method

International Nuclear Information System (INIS)

Noor, Fatimah A.; Abdullah, Mikrajuddin; Sukirno; Khairurrijal

2010-01-01

Analytical expressions of electron transmittance and tunneling current in an anisotropic TiN x /HfO 2 /SiO 2 /p-Si(100) metal-oxide-semiconductor (MOS) capacitor were derived by considering the coupling of transverse and longitudinal energies of an electron. Exponential and Airy wavefunctions were utilized to obtain the electron transmittance and the electron tunneling current. A transfer matrix method, as a numerical approach, was used as a benchmark to assess the analytical approaches. It was found that there is a similarity in the transmittances calculated among exponential- and Airy-wavefunction approaches and the TMM at low electron energies. However, for high energies, only the transmittance calculated by using the Airy-wavefunction approach is the same as that evaluated by the TMM. It was also found that only the tunneling currents calculated by using the Airy-wavefunction approach are the same as those obtained under the TMM for all range of oxide voltages. Therefore, a better analytical description for the tunneling phenomenon in the MOS capacitor is given by the Airy-wavefunction approach. Moreover, the tunneling current density decreases as the titanium concentration of the TiN x metal gate increases because the electron effective mass of TiN x decreases with increasing nitrogen concentration. In addition, the mass anisotropy cannot be neglected because the tunneling currents obtained under the isotropic and anisotropic masses are very different. (semiconductor devices)

Large-scale subduction of continental crust implied by India-Asia mass-balance calculation

Science.gov (United States)

Ingalls, Miquela; Rowley, David B.; Currie, Brian; Colman, Albert S.

2016-11-01

Continental crust is buoyant compared with its oceanic counterpart and resists subduction into the mantle. When two continents collide, the mass balance for the continental crust is therefore assumed to be maintained. Here we use estimates of pre-collisional crustal thickness and convergence history derived from plate kinematic models to calculate the crustal mass balance in the India-Asia collisional system. Using the current best estimates for the timing of the diachronous onset of collision between India and Eurasia, we find that about 50% of the pre-collisional continental crustal mass cannot be accounted for in the crustal reservoir preserved at Earth's surface today--represented by the mass preserved in the thickened crust that makes up the Himalaya, Tibet and much of adjacent Asia, as well as southeast Asian tectonic escape and exported eroded sediments. This implies large-scale subduction of continental crust during the collision, with a mass equivalent to about 15% of the total oceanic crustal subduction flux since 56 million years ago. We suggest that similar contamination of the mantle by direct input of radiogenic continental crustal materials during past continent-continent collisions is reflected in some ocean crust and ocean island basalt geochemistry. The subduction of continental crust may therefore contribute significantly to the evolution of mantle geochemistry.

Calculation of wind turbine aeroelastic behaviour. The Garrad Hassan approach

Energy Technology Data Exchange (ETDEWEB)

Quarton, D C [Garrad Hassan and Partners Ltd., Bristol (United Kingdom)

1996-09-01

The Garrad Hassan approach to the prediction of wind turbine loading and response has been developed over the last decade. The goal of this development has been to produce calculation methods that contain realistic representation of the wind, include sensible aerodynamic and dynamic models of the turbine and can be used to predict fatigue and extreme loads for design purposes. The Garrad Hassan calculation method is based on a suite of four key computer programs: WIND3D for generation of the turbulent wind field; EIGEN for modal analysis of the rotor and support structure; BLADED for time domain calculation of the structural loads; and SIGNAL for post-processing of the BLADED predictions. The interaction of these computer programs is illustrated. A description of the main elements of the calculation method will be presented. (au)

A semi-empirical approach to calculate gamma activities in environmental samples

International Nuclear Information System (INIS)

Palacios, D.; Barros, H.; Alfonso, J.; Perez, K.; Trujillo, M.; Losada, M.

2006-01-01

We propose a semi-empirical method to calculate radionuclide concentrations in environmental samples without the use of reference material and avoiding the typical complexity of Monte-Carlo codes. The calculation of total efficiencies was carried out from a relative efficiency curve (obtained from the gamma spectra data), and the geometric (simulated by Monte-Carlo), absorption, sample and intrinsic efficiencies at energies between 130 and 3000 keV. The absorption and sample efficiencies were determined from the mass absorption coefficients, obtained by the web program XCOM. Deviations between computed results and measured efficiencies for the RGTh-1 reference material are mostly within 10%. Radionuclide activities in marine sediment samples calculated by the proposed method and by the experimental relative method were in satisfactory agreement. The developed method can be used for routine environmental monitoring when efficiency uncertainties of 10% can be sufficient.(Author)

Approach to equilibrium calculations for the dragon HTR design

Energy Technology Data Exchange (ETDEWEB)

Hansen, U

1971-06-10

The calculational methods and the model used in representing the core and the fuel management operations are described. Different layouts of the first core and approach to equilibrium schemes for the Dragon HTR design are investigated. A simple fuelling modus is found and the tchnological and economical implications are discussed in detail.

PACTOLUS, Nuclear Power Plant Cost and Economics by Discounted Cash Flow Method. CLOTHO, Mass Flow Data Calculation for Program PACTOLUS

International Nuclear Information System (INIS)

Haffner, D.R.

1976-01-01

1 - Description of problem or function: PACTOLUS is a code for computing nuclear power costs using the discounted cash flow method. The cash flows are generated from input unit costs, time schedules and burnup data. CLOTHO calculates and communicates to PACTOLUS mass flow data to match a specified load factor history. 2 - Method of solution: Plant lifetime power costs are calculated using the discounted cash flow method. 3 - Restrictions on the complexity of the problem - Maxima of: 40 annual time periods into which all costs and mass flows are accumulated, 20 isotopic mass flows charged into and discharged from the reactor model

A new approach to the electron self energy calculation

International Nuclear Information System (INIS)

Persson, H.; Lindgren, I.; Salomonson, S.

1993-01-01

We present a new practical way to calculate the first order self energy in any model potential (local or non-local). The main idea is to introduce a new straightforward way of renormalization to avoid the usual potential expansion implying a large number of diagrams in higher order QED effects. The renormalization procedure is based on defining the divergent mass term in coordinate space and decomposing it into a divergent sum over finite partial wave contributions. The unrenormalized bound self energy is equally decomposed into a partial wave (l) sum. For each partial wave the difference is taken and the sum becomes convergent. The comparably rapid asymptotic behaviour of the method is l -3 . The method is applied to lithium-like uranium, and the self energy in a Coulomb field, the finite nucleus effect and the screened self energy is calculated to an accuracy of at least one tenth of an eV. (orig.)

Spent Nuclear Fuel (SNF) Project Multi Canister Overpack (MCO) Process Flow Diagram Mass Balance Calculations

International Nuclear Information System (INIS)

KLEM, M.J.

2000-01-01

The purpose of this calculation document is to develop the bases for the material balances of the Multi-Canister Overpack (MCO) Level 1 Process Flow Diagram (PFD). The attached mass balances support revision two of the PFD for the MCO and provide future reference

Mathematical approach for the assessment of similarity factor using a new scheme for calculating weight.

Science.gov (United States)

Gohel, M C; Sarvaiya, K G; Shah, A R; Brahmbhatt, B K

2009-03-01

The objective of the present work was to propose a method for calculating weight in the Moore and Flanner Equation. The percentage coefficient of variation in reference and test formulations at each time point was considered for calculating weight. The literature reported data are used to demonstrate applicability of the method. The advantages and applications of new approach are narrated. The results show a drop in the value of similarity factor as compared to the approach proposed in earlier work. The scientists who need high accuracy in calculation may use this approach.

Bootstrap calculation of the dynamical quark mass in QCD4 at finite temperature

International Nuclear Information System (INIS)

Cabo, A.; Kalashnikov, O.K.; Veliev, E.Kh.

1988-01-01

Nonperturbative calculations of the dynamical quark mass m(T) are given in QCD 4 , based on the bootstrap solution of the Schwinger-Dyson equation for the quark Green function at finite temperatures. A closed nonlinear equation is obtained for m(T) whose solution is found under some simplifying assumptions. We used a particular approximation for the effective charge and the nonperturbative expressions of the gluon magnetic and electric masses. The singular behavior of m(T) is established and its parameters are determined numerically. The singularity found is shown to correctly reproduce the chiral phase transition and the temperature limits obtained for m(T) are qualitatively correct. The complete phase diagram of QCD 4 in the (μ,T) plane is briefly discussed. (orig.)

Precise calculation of the dilepton invariant-mass spectrum and the decay rate in B{sup {+-}}{yields}{pi}{sup {+-}}{mu}{sup +}{mu}{sup -} in the SM

Energy Technology Data Exchange (ETDEWEB)

Ali, Ahmed [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group; Parkhomenko, Alexander Ya.; Rusov, Aleksey V. [P.G. Demidov Yaroslavl State Univ. (Russian Federation). Dept. of Theoretical Physics

2013-12-15

We present a precise calculation of the dilepton invariant-mass spectrum and the decay rate for B{sup {+-}}{yields}{pi}{sup {+-}}l{sup +}l{sup -} (l{sup {+-}}=e{sup {+-}},{mu}{sup {+-}}) in the Standard Model (SM) based on the effective Hamiltonian approach for the b{yields}dl{sup +}l{sup -} transitions. With the Wilson coefficients already known in the next-to-next-to-leading logarithmic (NNLL) accuracy, the remaining theoretical uncertainty in the short-distance contribution resides in the form factors f{sub +}(q{sup 2}), f{sub 0}(q{sup 2}) and f{sub T}(q{sup 2}). Of these, f{sub +}(q{sup 2}) is well measured in the charged-current semileptonic decays B{yields}{pi}l{nu}{sub l} and we use the B-factory data to parametrize it. The corresponding form factors for the B{yields}K transitions have been calculated in the Lattice-QCD approach for large-q{sup 2} and extrapolated to the entire q{sup 2}-region using the so-called z-expansion. Using an SU(3){sub F}-breaking Ansatz, we calculate the B{yields}{pi} tensor form factor, which is consistent with the recently reported lattice B{yields}{pi} analysis obtained at large q{sup 2}. The prediction for the total branching fraction B(B{sup {+-}}{yields}{pi}{sup {+-}}{mu}{sup +}{mu}{sup -})=(1.88{sub +0.32}{sup -0.21}) x 10{sup -8} is in good agreement with the experimental value obtained by the LHCb collaboration. In the low q{sup 2}-region, the Heavy-Quark Symmetry (HQS) relates the three form factors with each other. Accounting for the leading-order symmetry-breaking effects, and using data from the charged-current process B{yields}{pi}l{nu}{sub l} to determine f{sub +}(q{sup 2}), we calculate the dilepton invariant-mass distribution in the low q{sup 2}-region in the B{sup {+-}}{yields}{pi}{sup {+-}}l{sup +}l{sup -} decay. This provides a model-independent and precise calculation of the partial branching ratio for this decay.

Mass transfer in a salt repository

International Nuclear Information System (INIS)

Pigford, T.H.; Chambre, P.L.

1985-05-01

To meet regulatory requirements for radioactive waste in a salt repository it is necessary to predict the rates of corrosion of the waste container, the release rates of radionuclides from the waste package, and the cumulative release of radionuclides into the accessible environment. The mechanisms that may control these rates and an approach to predicting these rates from mass-transfer theory are described. This new mechanistic approach is suggested by three premises: (a) a brine inclusion originally in a salt crystal moves along grain boundaries after thermal-induced migration out of the crystal, (b) brine moves along a grain boundary under the influence of a pressure gradient, and (c) salt surrounding a heat-generating waste package will soon creep and consolidate as a monolithic medium surrounding and in contact with the waste package. After consolidation there may be very little migration of intergranular and intragranular brine to the waste package. The corrosion rate of the waste container may then be limited by the rate at which brine reaches the container and may be calculable from mass-transfer theory, and the rate at which dissolved radionuclides leave the waste package may be limited by molecular diffusion in intragranular brine and may be calculable from mass-transfer theory. If porous nonsalt interbeds intersect the waste-package borehole, the release rate of dissolved radionuclides to interbed brine may also be calculable from mass-transfer theory. The logic of these conclusions is described, as an aid in formulating the calculations that are to be made

A modified CAS-CI approach for an efficient calculation of magnetic exchange coupling constants

Science.gov (United States)

Fink, Karin; Staemmler, Volker

2013-09-01

A modification of the conventional wavefunction-based CAS-CI method for the calculation of magnetic exchange coupling constants J in small molecules and transition metal complexes is presented. In general, CAS-CI approaches yield much too small values for J since the energies of the important charge transfer configurations are calculated with the ground state orbitals and are therefore much too high. In the present approach we improve these energies by accounting for the relaxation of the orbitals in the charge transfer configurations. The necessary relaxation energies R can be obtained in separate calculations using mononuclear or binuclear model systems. The method is applied to a few examples, small molecules, binuclear transition metal complexes, and bulk NiO. It allows to obtaining fairly reliable estimates for J at costs that are not higher than those of conventional CAS-CI calculations. Therefore, extended and very time-consuming perturbation theory (PT2), configuration interaction (CI), or coupled cluster (CC) schemes on top of the CAS-CI calculation can be avoided and the modified CAS-CI (MCAS-CI) approach can be applied to rather large systems.

Fatigue approach for addressing environmental effects in fatigue usage calculation

Energy Technology Data Exchange (ETDEWEB)

Wilhelm, Paul; Rudolph, Juergen [AREVA GmbH, Erlangen (Germany); Steinmann, Paul [Erlangen-Nuremberg Univ., erlangen (Germany). Chair of Applied Mechanics

2015-04-15

Laboratory tests consider simple trapezoidal, triangle, and sinusoidal signals. However, actual plant components are characterized by complex loading patterns and periods of holds. Fatigue tests in water environment show, that the damage from a realistic strain variation or the presence of hold-times within cyclic loading results in an environmental reduction factor (Fen) only half that of a simple waveform. This study proposes a new fatigue approach for addressing environmental effects in fatigue usage calculation for class 1 boiler and pressure vessel reactor components. The currently accepted method of fatigue assessment has been used as a base model and all cycles, which have been comparable with realistic fatigue tests, have been excluded from the code-based fatigue calculation and evaluated directly with the test data. The results presented show that the engineering approach can successfully be integrated in the code-based fatigue assessment. The cumulative usage factor can be reduced considerably.

Fatigue approach for addressing environmental effects in fatigue usage calculation

International Nuclear Information System (INIS)

Wilhelm, Paul; Rudolph, Juergen; Steinmann, Paul

2015-01-01

Laboratory tests consider simple trapezoidal, triangle, and sinusoidal signals. However, actual plant components are characterized by complex loading patterns and periods of holds. Fatigue tests in water environment show, that the damage from a realistic strain variation or the presence of hold-times within cyclic loading results in an environmental reduction factor (Fen) only half that of a simple waveform. This study proposes a new fatigue approach for addressing environmental effects in fatigue usage calculation for class 1 boiler and pressure vessel reactor components. The currently accepted method of fatigue assessment has been used as a base model and all cycles, which have been comparable with realistic fatigue tests, have been excluded from the code-based fatigue calculation and evaluated directly with the test data. The results presented show that the engineering approach can successfully be integrated in the code-based fatigue assessment. The cumulative usage factor can be reduced considerably.

Calculation of stresses in a rock mass and lining in stagewise face drivage

Science.gov (United States)

Seryakov, VM; Zhamalova, BR

2018-03-01

Using the method of calculating mechanical state of a rock mass for the conditions of stagewise drivage of a production face in large cross-section excavations, the specific features of stress redistribution in lining of excavations are found. The zones of tensile stresses in the lining are detected. The authors discuss the influence of the initial stress state of rocks on the tension stress zones induced in the lining in course of the heading advance

Refining mass formulas for astrophysical applications: A Bayesian neural network approach

Science.gov (United States)

Utama, R.; Piekarewicz, J.

2017-10-01

Background: Exotic nuclei, particularly those near the drip lines, are at the core of one of the fundamental questions driving nuclear structure and astrophysics today: What are the limits of nuclear binding? Exotic nuclei play a critical role in both informing theoretical models as well as in our understanding of the origin of the heavy elements. Purpose: Our aim is to refine existing mass models through the training of an artificial neural network that will mitigate the large model discrepancies far away from stability. Methods: The basic paradigm of our two-pronged approach is an existing mass model that captures as much as possible of the underlying physics followed by the implementation of a Bayesian neural network (BNN) refinement to account for the missing physics. Bayesian inference is employed to determine the parameters of the neural network so that model predictions may be accompanied by theoretical uncertainties. Results: Despite the undeniable quality of the mass models adopted in this work, we observe a significant improvement (of about 40%) after the BNN refinement is implemented. Indeed, in the specific case of the Duflo-Zuker mass formula, we find that the rms deviation relative to experiment is reduced from σrms=0.503 MeV to σrms=0.286 MeV. These newly refined mass tables are used to map the neutron drip lines (or rather "drip bands") and to study a few critical r -process nuclei. Conclusions: The BNN approach is highly successful in refining the predictions of existing mass models. In particular, the large discrepancy displayed by the original "bare" models in regions where experimental data are unavailable is considerably quenched after the BNN refinement. This lends credence to our approach and has motivated us to publish refined mass tables that we trust will be helpful for future astrophysical applications.

A fully relativistic approach for calculating atomic data for highly charged ions

Energy Technology Data Exchange (ETDEWEB)

Zhang, Hong Lin [Los Alamos National Laboratory; Fontes, Christopher J [Los Alamos National Laboratory; Sampson, Douglas H [PENNSYLVANIA STATE UNIV

2009-01-01

We present a review of our fully relativistic approach to calculating atomic data for highly charged ions, highlighting a research effort that spans twenty years. Detailed discussions of both theoretical and numerical techniques are provided. Our basic approach is expected to provide accurate results for ions that range from approximately half ionized to fully stripped. Options for improving the accuracy and range of validity of this approach are also discussed. In developing numerical methods for calculating data within this framework, considerable emphasis is placed on techniques that are robust and efficient. A variety of fundamental processes are considered including: photoexcitation, electron-impact excitation, electron-impact ionization, autoionization, electron capture, photoionization and photorecombination. Resonance contributions to a variety of these processes are also considered, including discussions of autoionization, electron capture and dielectronic recombination. Ample numerical examples are provided in order to illustrate the approach and to demonstrate its usefulness in providing data for large-scale plasma modeling.

Model-Based Systems Engineering Approach to Managing Mass Margin

Science.gov (United States)

Chung, Seung H.; Bayer, Todd J.; Cole, Bjorn; Cooke, Brian; Dekens, Frank; Delp, Christopher; Lam, Doris

2012-01-01

When designing a flight system from concept through implementation, one of the fundamental systems engineering tasks ismanaging the mass margin and a mass equipment list (MEL) of the flight system. While generating a MEL and computing a mass margin is conceptually a trivial task, maintaining consistent and correct MELs and mass margins can be challenging due to the current practices of maintaining duplicate information in various forms, such as diagrams and tables, and in various media, such as files and emails. We have overcome this challenge through a model-based systems engineering (MBSE) approach within which we allow only a single-source-of-truth. In this paper we describe the modeling patternsused to capture the single-source-of-truth and the views that have been developed for the Europa Habitability Mission (EHM) project, a mission concept study, at the Jet Propulsion Laboratory (JPL).

Endoscopic endonasal approach for mass resection of the pterygopalatine fossa

Directory of Open Access Journals (Sweden)

Jan Plzák

Full Text Available OBJECTIVES: Access to the pterygopalatine fossa is very difficult due to its complex anatomy. Therefore, an open approach is traditionally used, but morbidity is unavoidable. To overcome this problem, an endoscopic endonasal approach was developed as a minimally invasive procedure. The surgical aim of the present study was to evaluate the utility of the endoscopic endonasal approach for the management of both benign and malignant tumors of the pterygopalatine fossa. METHOD: We report our experience with the endoscopic endonasal approach for the management of both benign and malignant tumors and summarize recent recommendations. A total of 13 patients underwent surgery via the endoscopic endonasal approach for pterygopalatine fossa masses from 2014 to 2016. This case group consisted of 12 benign tumors (10 juvenile nasopharyngeal angiofibromas and two schwannomas and one malignant tumor. RESULTS: No recurrent tumor developed during the follow-up period. One residual tumor (juvenile nasopharyngeal angiofibroma that remained in the cavernous sinus was stable. There were no significant complications. Typical sequelae included hypesthesia of the maxillary nerve, trismus, and dry eye syndrome. CONCLUSION: The low frequency of complications together with the high efficacy of resection support the use of the endoscopic endonasal approach as a feasible, safe, and beneficial technique for the management of masses in the pterygopalatine fossa.

Endoscopic endonasal approach for mass resection of the pterygopalatine fossa

Science.gov (United States)

Plzák, Jan; Kratochvil, Vít; Kešner, Adam; Šurda, Pavol; Vlasák, Aleš; Zvěřina, Eduard

2017-01-01

OBJECTIVES: Access to the pterygopalatine fossa is very difficult due to its complex anatomy. Therefore, an open approach is traditionally used, but morbidity is unavoidable. To overcome this problem, an endoscopic endonasal approach was developed as a minimally invasive procedure. The surgical aim of the present study was to evaluate the utility of the endoscopic endonasal approach for the management of both benign and malignant tumors of the pterygopalatine fossa. METHOD: We report our experience with the endoscopic endonasal approach for the management of both benign and malignant tumors and summarize recent recommendations. A total of 13 patients underwent surgery via the endoscopic endonasal approach for pterygopalatine fossa masses from 2014 to 2016. This case group consisted of 12 benign tumors (10 juvenile nasopharyngeal angiofibromas and two schwannomas) and one malignant tumor. RESULTS: No recurrent tumor developed during the follow-up period. One residual tumor (juvenile nasopharyngeal angiofibroma) that remained in the cavernous sinus was stable. There were no significant complications. Typical sequelae included hypesthesia of the maxillary nerve, trismus, and dry eye syndrome. CONCLUSION: The low frequency of complications together with the high efficacy of resection support the use of the endoscopic endonasal approach as a feasible, safe, and beneficial technique for the management of masses in the pterygopalatine fossa. PMID:29069259

Logarithmic of mass singularities theorem in non massive quantum electrodynamics

International Nuclear Information System (INIS)

Mares G, R.; Luna, H.

1997-01-01

We give an explicit example of the use of dimensional regularization to calculate in a unified approach, all the ultraviolet, infrared and mass singularities, by considering the LMS (logarithms of mass singularities) theorem in the frame of massless QED (Quantum electrodynamics). In the calculation of the divergent part of the cross section, all singularities are found to cancel provided soft and hard photon emission are both taken into account. (Author)

The pion mass: Looking for its origins

International Nuclear Information System (INIS)

Peccei, R.D.

1985-10-01

After explaining why pions are special excitations in QCD, I discuss how the pion mass reflects directly the dynamical scale of the strong interactions (Λsub(QCD)) and the scale of breaking of the weak interactions (Λsub(F)). To actually calculate the pion mass, however, requires understanding the origin of the quark masses and so I compare and contrast approaches to this latter problem, based on composite models and on superstrings. (orig.)

Langevin description of mass distributions of fragments originating from the fission of excited nuclei

International Nuclear Information System (INIS)

Vanin, D.V.; Nadtochy, P.N.; Adeev, G.D.; Kosenko, G.I.

2000-01-01

A stochastic approach to fission dynamics is proposed. The approach, which is based on Langevin equations, is used to calculate the mass distributions of fragments originating from the fission of excited nuclei. The effect of viscosity and light-particle emission on the variance of mass distributions is studied. The results of the calculations based on the above approach reveal that, in order to obtain a simultaneous description of mass-distribution parameters and the multiplicities of prescission particles, it is necessary to use sufficiently large values of nuclear viscosity both for the one-body and for the two-body viscosity mechanism, anomalously large values of the viscosity coefficient being required in the latter case

A dosimetric approach to patient-specific radioiodine treatment of Graves' disease with incorporation of treatment-induced changes in thyroid mass

International Nuclear Information System (INIS)

Traino, A. Claudio; Di Martino, Fabio; Lazzeri, Mauro

2004-01-01

The traditional algorithms (Marinelli-Quimby and MIRD) used for the absorbed dose calculation in radionuclide therapy generally assume that the mass of the target organs does not change with time. In radioiodine therapy for Graves' disease this approximation may not be valid. In this paper a mathematical model of thyroid mass reduction during the clearance phase (30-35 days) after 131 I administration to patients with Graves' disease is presented. A new algorithm for the absorbed dose calculation is derived, taking into account the reduction of the mass of the gland resulting from the 131 I therapy. It is demonstrated that thyroid mass reduction has a considerable effect on the calculated radiation dose. Either the model of the thyroid mass reduction or the new equation for the absorbed dose calculation depend on a parameter k for each patient. This parameter can be calculated after the administration of a diagnostic amount of radioiodine activity (0.37-1.85 MBq). Thus, thyroid absorbed dose and thyroid mass reduction during the first month after therapy can be predicted before therapy administration. The absorbed dose values calculated by the new algorithm are compared to those calculated by the traditional Marinelli-Quimby and MIRD algorithms

A perturbative approach to mass-generation - the non-linear sigma model

International Nuclear Information System (INIS)

Davis, A.C.; Nahm, W.

1985-01-01

A calculational scheme is presented to include non-perturbative effects into the perturbation expansion. As an example we use the O(N + 1) sigma model. The scheme uses a natural parametrisation such that the lagrangian can be written in a form normal-ordered with respect to the O(N + 1) symmetric vacuum plus vacuum expectation values, the latter calculated by symmetry alone. Including such expectation values automatically leads to the inclusion of a mass-gap in the perturbation series. (orig.)

Learning Approach on the Ground State Energy Calculation of Helium Atom

International Nuclear Information System (INIS)

Shah, Syed Naseem Hussain

2010-01-01

This research investigated the role of learning approach on the ground state energy calculation of Helium atom in improving the concepts of science teachers at university level. As the exact solution of several particles is not possible here we used approximation methods. Using this method one can understand easily the calculation of ground state energy of any given function. Variation Method is one of the most useful approximation methods in estimating the energy eigen values of the ground state and the first few excited states of a system, which we only have a qualitative idea about the wave function.The objective of this approach is to introduce and involve university teacher in new research, to improve their class room practices and to enable teachers to foster critical thinking in students.

Calculation of gas migration in fractured rock - a continuum approach

International Nuclear Information System (INIS)

Braester, C.

1987-09-01

A study of gas migration from low level radioactive repositories in which the fractured rock mass was conceptualized as a continuum, was carried out by the aid of a computer program based on a finite difference numerical method of solution to the equations of flow. The calculations are intended to correspond to the prevailing in the Forsmark low level repository area where radioactive waste repository caverns are planned to be located at a depth of about 50 metres below the sea level. Calculations were worked out for a constant gas flow rate equivalent to a gas production of 20 000 normal cubic metres per year. The investigated flow domain was a vertical cross-section passing through the repository. The results show that in the empty cavern the gas formed in the cavern moves almost instantaneously upward amd accumulates below the roof of the cavern. (orig./DG)

Approaches to proton single-event rate calculations

International Nuclear Information System (INIS)

Petersen, E.L.

1996-01-01

This article discusses the fundamentals of proton-induced single-event upsets and of the various methods that have been developed to calculate upset rates. Two types of approaches are used based on nuclear-reaction analysis. Several aspects can be analyzed using analytic methods, but a complete description is not available. The paper presents an analytic description for the component due to elastic-scattering recoils. There have been a number of studies made using Monte Carlo methods. These can completely describe the reaction processes, including the effect of nuclear reactions occurring outside the device-sensitive volume. They have not included the elastic-scattering processes. The article describes the semiempirical approaches that are most widely used. The quality of previous upset predictions relative to space observations is discussed and leads to comments about the desired quality of future predictions. Brief sections treat the possible testing limitation due to total ionizing dose effects, the relationship of proton and heavy-ion upsets, upsets due to direct proton ionization, and relative proton and cosmic-ray upset rates

Gravitational mass in an expanding universe

International Nuclear Information System (INIS)

Sannan, S.

1986-01-01

A test for the Hawking definition of mass is given in a Tolman--Bondi model that asymptotically approaches the open Friedmann universe. An expanding universe filled with dustlike matter of zero pressure is considered. The matter distribution is spherically symmetric but nonhomogeneous. With appropriate boundary conditions, the calculation yields a finite and nonzero value for the Hawking mass, measured as a deviation from a ''renormalized'' zero mass in the unperturbed Friedmann model. These boundary conditions are more restrictive than those found for a model with gravitational radiation

Fragment approach to constrained density functional theory calculations using Daubechies wavelets

International Nuclear Information System (INIS)

Ratcliff, Laura E.; Genovese, Luigi; Mohr, Stephan; Deutsch, Thierry

2015-01-01

In a recent paper, we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions are optimized in situ and therefore adapted to the chemical properties of the molecular system. Thanks to the systematically controllable accuracy of the underlying basis set, this approach is able to provide an optimal contracted basis for a given system: accuracies for ground state energies and atomic forces are of the same quality as an uncontracted, cubic scaling approach. This basis set offers, by construction, a natural subset where the density matrix of the system can be projected. In this paper, we demonstrate the flexibility of this minimal basis formalism in providing a basis set that can be reused as-is, i.e., without reoptimization, for charge-constrained DFT calculations within a fragment approach. Support functions, represented in the underlying wavelet grid, of the template fragments are roto-translated with high numerical precision to the required positions and used as projectors for the charge weight function. We demonstrate the interest of this approach to express highly precise and efficient calculations for preparing diabatic states and for the computational setup of systems in complex environments

Fragment approach to constrained density functional theory calculations using Daubechies wavelets

Energy Technology Data Exchange (ETDEWEB)

Ratcliff, Laura E., E-mail: lratcliff@anl.gov [Argonne Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439 (United States); Université de Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France); Genovese, Luigi; Mohr, Stephan; Deutsch, Thierry [Université de Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France)

2015-06-21

In a recent paper, we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions are optimized in situ and therefore adapted to the chemical properties of the molecular system. Thanks to the systematically controllable accuracy of the underlying basis set, this approach is able to provide an optimal contracted basis for a given system: accuracies for ground state energies and atomic forces are of the same quality as an uncontracted, cubic scaling approach. This basis set offers, by construction, a natural subset where the density matrix of the system can be projected. In this paper, we demonstrate the flexibility of this minimal basis formalism in providing a basis set that can be reused as-is, i.e., without reoptimization, for charge-constrained DFT calculations within a fragment approach. Support functions, represented in the underlying wavelet grid, of the template fragments are roto-translated with high numerical precision to the required positions and used as projectors for the charge weight function. We demonstrate the interest of this approach to express highly precise and efficient calculations for preparing diabatic states and for the computational setup of systems in complex environments.

A predictive mathematical model for the calculation of the final mass of Graves' disease thyroids treated with 131I

Science.gov (United States)

Traino, Antonio C.; Di Martino, Fabio; Grosso, Mariano; Monzani, Fabio; Dardano, Angela; Caraccio, Nadia; Mariani, Giuliano; Lazzeri, Mauro

2005-05-01

Substantial reductions in thyroid volume (up to 70-80%) after radioiodine therapy of Graves' hyperthyroidism are common and have been reported in the literature. A relationship between thyroid volume reduction and outcome of 131I therapy of Graves' disease has been reported by some authors. This important result could be used to decide individually the optimal radioiodine activity A0 (MBq) to administer to the patient, but a predictive model relating the change in gland volume to A0 is required. Recently, a mathematical model of thyroid mass reduction during the clearance phase (30-35 days) after 131I administration to patients with Graves' disease has been published and used as the basis for prescribing the therapeutic thyroid absorbed dose. It is well known that the thyroid volume reduction goes on until 1 year after therapy. In this paper, a mathematical model to predict the final mass of Graves' diseased thyroids submitted to 131I therapy is presented. This model represents a tentative explanation of what occurs macroscopically after the end of the clearance phase of radioiodine in the gland (the so-called second-order effects). It is shown that the final thyroid mass depends on its basal mass, on the radiation dose absorbed by the gland and on a constant value α typical of thyroid tissue. α has been evaluated based on a set of measurements made in 15 reference patients affected by Graves' disease and submitted to 131I therapy. A predictive equation for the calculation of the final mass of thyroid is presented. It is based on macroscopic parameters measurable after a diagnostic 131I capsule administration (0.37-1.85 MBq), before giving the therapy. The final mass calculated using this equation is compared to the final mass of thyroid measured 1 year after therapy administration in 22 Graves' diseased patients. The final masses calculated and measured 1 year after therapy are in fairly good agreement (R = 0.81). The possibility, for the physician, to decide a

A predictive mathematical model for the calculation of the final mass of Graves' disease thyroids treated with 131I

International Nuclear Information System (INIS)

Traino, Antonio C; Martino, Fabio Di; Grosso, Mariano; Monzani, Fabio; Dardano, Angela; Caraccio, Nadia; Mariani, Giuliano; Lazzeri, Mauro

2005-01-01

Substantial reductions in thyroid volume (up to 70-80%) after radioiodine therapy of Graves' hyperthyroidism are common and have been reported in the literature. A relationship between thyroid volume reduction and outcome of 131 I therapy of Graves' disease has been reported by some authors. This important result could be used to decide individually the optimal radioiodine activity A 0 (MBq) to administer to the patient, but a predictive model relating the change in gland volume to A 0 is required. Recently, a mathematical model of thyroid mass reduction during the clearance phase (30-35 days) after 131 I administration to patients with Graves' disease has been published and used as the basis for prescribing the therapeutic thyroid absorbed dose. It is well known that the thyroid volume reduction goes on until 1 year after therapy. In this paper, a mathematical model to predict the final mass of Graves' diseased thyroids submitted to 131 I therapy is presented. This model represents a tentative explanation of what occurs macroscopically after the end of the clearance phase of radioiodine in the gland (the so-called second-order effects). It is shown that the final thyroid mass depends on its basal mass, on the radiation dose absorbed by the gland and on a constant value α typical of thyroid tissue. α has been evaluated based on a set of measurements made in 15 reference patients affected by Graves' disease and submitted to 131 I therapy. A predictive equation for the calculation of the final mass of thyroid is presented. It is based on macroscopic parameters measurable after a diagnostic 131 I capsule administration (0.37-1.85 MBq), before giving the therapy. The final mass calculated using this equation is compared to the final mass of thyroid measured 1 year after therapy administration in 22 Graves' diseased patients. The final masses calculated and measured 1 year after therapy are in fairly good agreement (R = 0.81). The possibility, for the physician, to

Time averaging procedure for calculating the mass and energy transfer rates in adiabatic two phase flow

International Nuclear Information System (INIS)

Boccaccini, L.V.

1986-07-01

To take advantages of the semi-implicit computer models - to solve the two phase flow differential system - a proper averaging procedure is also needed for the source terms. In fact, in some cases, the correlations normally used for the source terms - not time averaged - fail using the theoretical time step that arises from the linear stability analysis used on the right handside. Such a time averaging procedure is developed with reference to the bubbly flow regime. Moreover, the concept of mass that must be exchanged to reach equilibrium from a non-equilibrium state is introduced to limit the mass transfer during a time step. Finally some practical calculations are performed to compare the different correlations for the average mass transfer rate developed in this work. (orig.) [de

Mass transfer and slag-metal reaction in ladle refining : a CFD approach

OpenAIRE

Ramström, Eva

2009-01-01

  In order to optimise the ladle treatment mass transfer modelling of aluminium addition and homogenisation time was carried out. It was stressed that incorporating slag-metal reactions into the mass transfer modelling strongly would enhance the reliability and amount of information to be analyzed from the CFD calculations.   In the present work, a thermodynamic model taking all the involved slag metal reactions into consideration was incorporated into a 2-D fluid flow model of an argon stirr...

Continuum model for water movement in an unsaturated fractured rock mass

International Nuclear Information System (INIS)

Peters, R.R.; Klavetter, E.A.

1988-01-01

The movement of fluids in a fractured, porous medium has been the subject of considerable study. This paper presents a continuum model that may be used to evaluate the isothermal movement of water in an unsaturated, fractured, porous medium under slowly changing conditions. This continuum model was developed for use in evaluating the unsaturated zone at the Yucca Mountain site as a potential repository for high-level nuclear waste. Thus its development has been influenced by the conditions thought to be present at Yucca Mountain. A macroscopic approach and a microscopic approach are used to develop a continuum model to evaluate water movement in a fractured rock mass. Both approaches assume that the pressure head in the fractures and the matrix are identical in a plane perpendicular to flow. Both approaches lead to a single-flow equation for a fractured rock mass. The two approaches are used to calculate unsaturated hydrologic properties, i.e., relative permeability and saturation as a function of pressure head, for several types of tuff underlying Yucca Mountain, using the best available hydrologic data for the matrix and the fractures. Rock mass properties calculated by both approaches are similar

Peak clustering in two-dimensional gas chromatography with mass spectrometric detection based on theoretical calculation of two-dimensional peak shapes: the 2DAid approach.

Science.gov (United States)

van Stee, Leo L P; Brinkman, Udo A Th

2011-10-28

A method is presented to facilitate the non-target analysis of data obtained in temperature-programmed comprehensive two-dimensional (2D) gas chromatography coupled to time-of-flight mass spectrometry (GC×GC-ToF-MS). One main difficulty of GC×GC data analysis is that each peak is usually modulated several times and therefore appears as a series of peaks (or peaklets) in the one-dimensionally recorded data. The proposed method, 2DAid, uses basic chromatographic laws to calculate the theoretical shape of a 2D peak (a cluster of peaklets originating from the same analyte) in order to define the area in which the peaklets of each individual compound can be expected to show up. Based on analyte-identity information obtained by means of mass spectral library searching, the individual peaklets are then combined into a single 2D peak. The method is applied, amongst others, to a complex mixture containing 362 analytes. It is demonstrated that the 2D peak shapes can be accurately predicted and that clustering and further processing can reduce the final peak list to a manageable size. Copyright © 2011 Elsevier B.V. All rights reserved.

A Computational Drug Metabolite Detection Using the Stable Isotopic Mass-Shift Filtering with High Resolution Mass Spectrometry in Pioglitazone and Flurbiprofen

Directory of Open Access Journals (Sweden)

Yohei Miyamoto

2013-09-01

Full Text Available The identification of metabolites in drug discovery is important. At present, radioisotopes and mass spectrometry are both widely used. However, rapid and comprehensive identification is still laborious and difficult. In this study, we developed new analytical software and employed a stable isotope as a tool to identify drug metabolites using mass spectrometry. A deuterium-labeled compound and non-labeled compound were both metabolized in human liver microsomes and analyzed by liquid chromatography/time-of-flight mass spectrometry (LC-TOF-MS. We computationally aligned two different MS data sets and filtered ions having a specific mass-shift equal to masses of labeled isotopes between those data using our own software. For pioglitazone and flurbiprofen, eight and four metabolites, respectively, were identified with calculations of mass and formulas and chemical structural fragmentation analysis. With high resolution MS, the approach became more accurate. The approach detected two unexpected metabolites in pioglitazone, i.e., the hydroxypropanamide form and the aldehyde hydrolysis form, which other approaches such as metabolite-biotransformation list matching and mass defect filtering could not detect. We demonstrated that the approach using computational alignment and stable isotopic mass-shift filtering has the ability to identify drug metabolites and is useful in drug discovery.

Heat and mass transfer intensification and shape optimization a multi-scale approach

CERN Document Server

2013-01-01

Is the heat and mass transfer intensification defined as a new paradigm of process engineering, or is it just a common and old idea, renamed and given the current taste? Where might intensification occur? How to achieve intensification? How the shape optimization of thermal and fluidic devices leads to intensified heat and mass transfers? To answer these questions, Heat & Mass Transfer Intensification and Shape Optimization: A Multi-scale Approach clarifies  the definition of the intensification by highlighting the potential role of the multi-scale structures, the specific interfacial area, the distribution of driving force, the modes of energy supply and the temporal aspects of processes.   A reflection on the methods of process intensification or heat and mass transfer enhancement in multi-scale structures is provided, including porous media, heat exchangers, fluid distributors, mixers and reactors. A multi-scale approach to achieve intensification and shape optimization is developed and clearly expla...

GIS-based Approaches to Catchment Area Analyses of Mass Transit

DEFF Research Database (Denmark)

Andersen, Jonas Lohmann Elkjær; Landex, Alex

2009-01-01

Catchment area analyses of stops or stations are used to investigate potential number of travelers to public transportation. These analyses are considered a strong decision tool in the planning process of mass transit especially railroads. Catchment area analyses are GIS-based buffer and overlay...... analyses with different approaches depending on the desired level of detail. A simple but straightforward approach to implement is the Circular Buffer Approach where catchment areas are circular. A more detailed approach is the Service Area Approach where catchment areas are determined by a street network...... search to simulate the actual walking distances. A refinement of the Service Area Approach is to implement additional time resistance in the network search to simulate obstacles in the walking environment. This paper reviews and compares the different GIS-based catchment area approaches, their level...

40 CFR 75.19 - Optional SO2, NOX, and CO2 emissions calculation for low mass emissions (LME) units.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 16 2010-07-01 2010-07-01 false Optional SO2, NOX, and CO2 emissions... § 75.19 Optional SO2, NOX, and CO2 emissions calculation for low mass emissions (LME) units. (a... input, NOX, SO2, and CO2 mass emissions, and NOX emission rate under this part. If the owner or operator...

LOW-METALLICITY PROTOSTARS AND THE MAXIMUM STELLAR MASS RESULTING FROM RADIATIVE FEEDBACK: SPHERICALLY SYMMETRIC CALCULATIONS

International Nuclear Information System (INIS)

Hosokawa, Takashi; Omukai, Kazuyuki

2009-01-01

The final mass of a newborn star is set at the epoch when the mass accretion onto the star is terminated. We study the evolution of accreting protostars and the limits of accretion in low-metallicity environments under spherical symmetry. Accretion rates onto protostars are estimated via the temperature evolution of prestellar cores with different metallicities. The derived rates increase with decreasing metallicity, from M-dot≅10 -6 M odot yr -1 at Z = Z sun to 10 -3 M sun yr -1 at Z = 0. With the derived accretion rates, the protostellar evolution is numerically calculated. We find that, at lower metallicity, the protostar has a larger radius and reaches the zero-age main sequence (ZAMS) at higher stellar mass. Using this protostellar evolution, we evaluate the upper stellar mass limit where the mass accretion is hindered by radiative feedback. We consider the effects of radiation pressure exerted on the accreting envelope, and expansion of an H II region. The mass accretion is finally terminated by radiation pressure on dust grains in the envelope for Z ∼> 10 -3 Z sun and by the expanding H II region for lower metallicity. The mass limit from these effects increases with decreasing metallicity from M * ≅ 10 M sun at Z = Z sun to ≅300 M sun at Z = 10 -6 Z sun . The termination of accretion occurs after the central star arrives at the ZAMS at all metallicities, which allows us to neglect protostellar evolution effects in discussing the upper mass limit by stellar feedback. The fragmentation induced by line cooling in low-metallicity clouds yields prestellar cores with masses large enough that the final stellar mass is set by the feedback effects. Although relaxing the assumption of spherical symmetry will alter feedback effects, our results will be a benchmark for more realistic evolution to be explored in future studies.

Deference, Denial, and Beyond: A Repertoire Approach to Mass Media and Schooling

Science.gov (United States)

Rymes, Betsy

2011-01-01

In this article, the author outlines two general research approaches, within the education world, to these mass-mediated formations: "Deference" and "Denial." Researchers who recognize the social practices that give local meaning to mass media formations and ways of speaking do not attempt to recontextualize youth media in their own social…

An approach to the neck mass | Thandar | Continuing Medical ...

African Journals Online (AJOL)

An approach to the neck mass. MA Thandar, NE Jonas. Abstract. No Abstract. Full Text: EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT · DOWNLOAD FULL TEXT DOWNLOAD FULL TEXT · AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for Librarians · for Authors · FAQ's · More about AJOL ...

Lattice QCD Calculation of Nucleon Structure

International Nuclear Information System (INIS)

Liu, Keh-Fei; Draper, Terrence

2016-01-01

It is emphasized in the 2015 NSAC Long Range Plan that 'understanding the structure of hadrons in terms of QCD's quarks and gluons is one of the central goals of modern nuclear physics.' Over the last three decades, lattice QCD has developed into a powerful tool for ab initio calculations of strong-interaction physics. Up until now, it is the only theoretical approach to solving QCD with controlled statistical and systematic errors. Since 1985, we have proposed and carried out first-principles calculations of nucleon structure and hadron spectroscopy using lattice QCD which entails both algorithmic development and large-scale computer simulation. We started out by calculating the nucleon form factors -- electromagnetic, axial-vector, ?NN, and scalar form factors, the quark spin contribution to the proton spin, the strangeness magnetic moment, the quark orbital angular momentum, the quark momentum fraction, and the quark and glue decomposition of the proton momentum and angular momentum. The first round of calculations were done with Wilson fermions in the 'quenched' approximation where the dynamical effects of the quarks in the sea are not taken into account in the Monte Carlo simulation to generate the background gauge configurations. Beginning in 2000, we have started implementing the overlap fermion formulation into the spectroscopy and structure calculations. This is mainly because the overlap fermion honors chiral symmetry as in the continuum. It is going to be more and more important to take the symmetry into account as the simulations move closer to the physical point where the u and d quark masses are as light as a few MeV only. We began with lattices which have quark masses in the sea corresponding to a pion mass at ~ 300 MeV and obtained the strange form factors, charm and strange quark masses, the charmonium spectrum and the D_s meson decay constant f_D__s, the strangeness and charmness, the meson mass decomposition and the strange quark spin from the

Plutonium Critical Mass Curve Comparison to Mass at Upper Subcritical Limit (USL) Using Whisper

International Nuclear Information System (INIS)

Alwin, Jennifer Louise; Zhang, Ning

2016-01-01

Whisper is computational software designed to assist the nuclear criticality safety analyst with validation studies with the MCNP ® Monte Carlo radiation transport package. Standard approaches to validation rely on the selection of benchmarks based upon expert judgment. Whisper uses sensitivity/uncertainty (S/U) methods to select relevant benchmarks to a particular application or set of applications being analyzed. Using these benchmarks, Whisper computes a calculational margin. Whisper attempts to quantify the margin of subcriticality (MOS) from errors in software and uncertainties in nuclear data. The combination of the Whisper-derived calculational margin and MOS comprise the baseline upper subcritical limit (USL), to which an additional margin may be applied by the nuclear criticality safety analyst as appropriate to ensure subcriticality. A series of critical mass curves for plutonium, similar to those found in Figure 31 of LA-10860-MS, have been generated using MCNP6.1.1 and the iterative parameter study software, WORM S olver. The baseline USL for each of the data points of the curves was then computed using Whisper 1.1. The USL was then used to determine the equivalent mass for plutonium metal-water system. ANSI/ANS-8.1 states that it is acceptable to use handbook data, such as the data directly from the LA-10860-MS, as it is already considered validated (Section 4.3 4) ''Use of subcritical limit data provided in ANSI/ANS standards or accepted reference publications does not require further validation.''). This paper attempts to take a novel approach to visualize traditional critical mass curves and allows comparison with the amount of mass for which the k eff is equal to the USL (calculational margin + margin of subcriticality). However, the intent is to plot the critical mass data along with USL, not to suggest that already accepted handbook data should have new and more rigorous requirements for validation.

Position and mass determination of multiple particles using cantilever based mass sensors

International Nuclear Information System (INIS)

Dohn, Soeren; Schmid, Silvan; Boisen, Anja; Amiot, Fabien

2010-01-01

Resonant microcantilevers are highly sensitive to added masses and have the potential to be used as mass-spectrometers. However, making the detection of individual added masses quantitative requires the position determination for each added mass. We derive expressions relating the position and mass of several added particles to the resonant frequencies of a cantilever, and an identification procedure valid for particles with different masses is proposed. The identification procedure is tested by calculating positions and mass of multiple microparticles with similar mass positioned on individual microcantilevers. Excellent agreement is observed between calculated and measured positions and calculated and theoretical masses.

Calculation of the capnographic index based on expiratory molar mass-volume-curves--a suitable tool to screen for cystic fibrosis lung disease.

Science.gov (United States)

Fuchs, Susanne I; Junge, Sibylle; Ellemunter, Helmut; Ballmann, Manfred; Gappa, Monika

2013-05-01

Volumetric capnography reflecting the course of CO2-exhalation is used to assess ventilation inhomogeneity. Calculation of the slope of expiratory phase 3 and the capnographic index (KPIv) from expirograms allows quantification of extent and severity of small airway impairment. However, technical limitations have hampered more widespread use of this technique. Using expiratory molar mass-volume-curves sampled with a handheld ultrasonic flow sensor during tidal breathing is a novel approach to extract similar information from expirograms in a simpler manner possibly qualifying as a screening tool for clinical routine. The aim of the present study was to evaluate calculation of the KPIv based on molar mass-volume-curves sampled with an ultrasonic flow sensor in patients with CF and controls by assessing feasibility, reproducibility and comparability with the Lung Clearance Index (LCI) derived from multiple breath washout (MBW) used as the reference method. Measurements were performed in patients with CF and healthy controls during a single test occasion using the EasyOne Pro, MBW Module (ndd Medical Technologies, Switzerland). Capnography and MBW were performed in 87/96 patients with CF and 38/42 controls, with a success rate of 90.6% for capnography. Mean age (range) was 12.1 (4-25) years. Mean (SD) KPIv was 6.94 (3.08) in CF and 5.10 (2.06) in controls (p=0.001). Mean LCI (SD) was 8.0 (1.4) in CF and 6.2 (0.4) in controls (p=molar mass-volume-curves is feasible. KPIv is significantly different between patients with CF and controls and correlates with the LCI. However, individual data revealed a relevant overlap between patients and controls requiring further evaluation, before this method can be recommended for clinical use. Copyright © 2012 European Cystic Fibrosis Society. Published by Elsevier B.V. All rights reserved.

Modelling of large sodium fires: A coupled experimental and calculational approach

International Nuclear Information System (INIS)

Astegiano, J.C.; Balard, F.; Cartier, L.; De Pascale, C.; Forestier, A.; Merigot, C.; Roubin, P.; Tenchine, D.; Bakouta, N.

1996-01-01

The consequences of large sodium leaks in secondary circuit of Super-Phenix have been studied mainly with the FEUMIX code, on the basis of sodium fire experiments. This paper presents the status of the coupled AIRBUS (water experiment) FEUMIX approach under development in order to strengthen the extrapolation made for the Super-Phenix secondary circuits calculations for large leakage flow. FEUMIX code is a point code based on the concept of a global interfacial area between sodium and air. Mass and heat transfers through this global area is supposed to be similar. Then, global interfacial transfer coefficient Sih is an important parameter of the model. Correlations for the interfacial area are extracted from a large number of sodium tests. For the studies of hypothetical large sodium leak in secondary circuit of Super-Phenix, flow rates of more than 1 t/s have been considered and extrapolation was made from the existing results (maximum flow rate 225 kg/s). In order to strengthen the extrapolation, water test has been contemplated, on the basis of a thermal hydraulic similarity. The principle is to measure the interfacial area of a hot water jet in air, then to transpose the Sih to sodium without combustion, and to use this value in FEUMIX with combustion modelling. AIRBUS test section is a parallelepipedic gastight tank, 106 m 3 (5.7 x 3.7 x 5) internally insulated. Water jet is injected from heated external auxiliary tank into the cell using pressurized air tank and specific valve. The main measurements performed during each test are injected flow rate air pressure water temperature gas temperature A first series of tests were performed in order to qualify the methodology: typical FCA and IGNA sodium fire tests were represented in AIRBUS, and a comparison of the FEUMIX calculation using Sih value deduced from water experiments show satisfactory agreement. A second series of test for large flow rate, corresponding to large sodium leak in secondary circuit of Super

A multifunctional design approach for sustainable concrete : with application to concrete mass products

NARCIS (Netherlands)

Hüsken, G.

2010-01-01

This thesis provides a multifunctional design approach for sustainable concrete, particularly earth-moist concrete (EMC), with application to concrete mass products. EMC is a concrete with low water content and stiff consistency that is used for the production of concrete mass products, such as

Thomas-Fermi approach to nuclear mass formula. Pt. 1

International Nuclear Information System (INIS)

Dutta, A.K.; Arcoragi, J.P.; Pearson, J.M.; Tondeur, F.

1986-01-01

With a view to having a more secure basis for the nuclear mass formula than is provided by the drop(let) model, we make a preliminary study of the possibilities offered by the Skyrme-ETF method. Two ways of incorporating shell effects are considered: the ''Strutinsky-integral'' method of Chu et al., and the ''expectation-value'' method of Brack et al. Each of these methods is compared with the HF method in an attempt to see how reliably they extrapolate from the known region of the nuclear chart out to the neutron-drip line. The Strutinsky-integral method is shown to perform particularly well, and to offer a promising approach to a more reliable mass formula. (orig.)

Calculation of three-dimensional mass flow and temperature distributions of nuclear reactors using the hardy cross iterative global solution

International Nuclear Information System (INIS)

Silva Neto, A.J. da; Alvim, A.C.M.

1989-01-01

This work describes the thermalhydraulics code CROSS, designed for micro-computer calculation of heat and mass flow distributions in LWR nuclear reactor cores using the Hardy Cross method. Equations to calculate the pressure variations in the coolant channels are presented, along with derivation of a linear system of equations to calculate the energy balance. This system is solved through the Benachievicz method. A case study is presented, showing that the methodology developed in this work can be used in place of the forward marching multi-channel codes. (author) [pt

Validity of M-3Y force equivalent G-matrix elements for calculations of the nuclear structure in heavy mass region

International Nuclear Information System (INIS)

Cheng Lan; Huang Weizhi; Zhou Baosen

1996-01-01

Using the matrix elements of M-3Y force as the equivalent G-matrix elements, the spectra of 210 Pb, 206 Pb, 206 Hg and 210 Po are calculated in the framework of the Folded Diagram Method. The results show that such equivalent matrix elements are suitable for microscopic calculations of the nuclear structure in heavy mass region

Sliding Mode Control for Mass Moment Aerospace Vehicles Using Dynamic Inversion Approach

Directory of Open Access Journals (Sweden)

Xiao-Yu Zhang

2013-01-01

Full Text Available The moving mass actuation technique offers significant advantages over conventional aerodynamic control surfaces and reaction control systems, because the actuators are contained entirely within the airframe geometrical envelope. Modeling, control, and simulation of Mass Moment Aerospace Vehicles (MMAV utilizing moving mass actuators are discussed. Dynamics of the MMAV are separated into two parts on the basis of the two time-scale separation theory: the dynamics of fast state and the dynamics of slow state. And then, in order to restrain the system chattering and keep the track performance of the system by considering aerodynamic parameter perturbation, the flight control system is designed for the two subsystems, respectively, utilizing fuzzy sliding mode control approach. The simulation results describe the effectiveness of the proposed autopilot design approach. Meanwhile, the chattering phenomenon that frequently appears in the conventional variable structure systems is also eliminated without deteriorating the system robustness.

Critical and subcritical mass calculations of curium-243 to -247 based on JENDL-3.2 for revision of ANSI/ANS-8.15

International Nuclear Information System (INIS)

Okuno, Hiroshi

2002-01-01

Critical and subcritical masses were calculated for a sphere of five curium isotopes from 243 Cm to 247 Cm in metal and in metal-water mixtures considering three reflector conditions: bare, with a water reflector or a stainless steel reflector. The calculation were made mainly with a combination of a continuous energy Monte Carlo neutron transport calculation code, MCNP, and the Japanese Evaluated Nuclear Data Library, JENDL-3.2. Other evaluated nuclear data files, ENDF/B-VI and JEF-2.2, were also applied to find differences in calculation results of the neutron multiplication factor originated from different nuclear data files. A large dependence on the evaluated nuclear data files was found in the calculation results: more than 10%Δk/k relative differences in the neutron multiplication factor for a homogeneous mixture of 243 Cm metal and water when JENDL-3.2 was replaced with ENDF/B-VI and JEF-2.2, respectively; and a 44% reduction in the critical mass by changing from JENDL-3.2 to ENDF/B-VI for 246 Cm metal. The present study supplied basic information to the ANSI/ANS-8.15 Working Group for revision of the standard for nuclear criticality control of special actinide elements. The new or revised values of the subcritical mass limits for curium isotopes accepted by the ANSI/ANS-8.15 Working Group were finally summarized. (author)

Mass Media as Actor in Political Process: Evolution of the Western Approaches since the 1950s. (Part 1)

OpenAIRE

Гуторов, Владимир Александрович

2013-01-01

The author analyses evolution of western political science’s approaches to mass media and mass media’s role in political process in liberal democracies. The author focuses on theories of “Minimal Effect,” “Mediocracy,” “Effects Research,” “Tеxt Analysis,” “Use and Gratification Approach.” The author discusses A. Giddens’s structuration theory as the most elaborate approach to interpreting the role of mass media in the western political and social science.Key words: mass and political communic...

Frequency Shifts of Micro and Nano Cantilever Beam Resonators Due to Added Masses

KAUST Repository

Bouchaala, Adam M.

2016-03-21

We present analytical and numerical techniques to accurately calculate the shifts in the natural frequencies of electrically actuated micro and nano (carbon nanotubes (CNTs)) cantilever beams implemented as resonant sensors for mass detection of biological entities, particularly Escherichia coli (E. coli) and prostate specific antigen (PSA) cells. The beams are modeled as Euler-Bernoulli beams, including the nonlinear electrostatic forces and the added biological cells, which are modeled as discrete point masses. The frequency shifts due to the added masses of the cells are calculated for the fundamental and higher-order modes of vibrations. Analytical expressions of the natural frequency shifts under a direct current (DC) voltage and an added mass have been developed using perturbation techniques and the Galerkin approximation. Numerical techniques are also used to calculate the frequency shifts and compared with the analytical technique. We found that a hybrid approach that relies on the analytical perturbation expression and the Galerkin procedure for calculating accurately the static behavior presents the most computationally efficient approach. We found that using higher-order modes of vibration of micro-electro-mechanical-system (MEMS) beams or miniaturizing the sizes of the beams to nanoscale leads to significant improved frequency shifts, and thus increased sensitivities. © 2016 by ASME.

Interaction and collective effects in classical-equations-of-motion calculations

International Nuclear Information System (INIS)

Bodmer, A.R.

1981-01-01

We discuss results obtained with the classical-equations-of-motion (CEOM) approach, with particular reference to interaction (potential energy) and collective effects in central collisions of equal mass nuclei. The essence of the CEOM approach is the classical calculation of all A = A/sub P/ + A/sub T/ trajectories using a 2-body potential V between all pairs of nucleons; V = V/sub short/ + V/sub long/ has a short range repulsion and a longer range attractive tail. In contrast to hydrodynamics, the CEOM approach is microscopic and includes transparency and nonequilibrium effects

Self-consistent meson mass spectrum

International Nuclear Information System (INIS)

Balazs, L.A.P.

1982-01-01

A dual-topological-unitarization (or dual-fragmentation) approach to the calculation of hadron masses is presented, in which the effect of planar ''sea''-quark loops is taken into account from the beginning. Using techniques based on analyticity and generalized ladder-graph dynamics, we first derive the approximate ''generic'' Regge-trajectory formula α(t) = max (S 1 +S 2 , S 3 +S 4 )-(1/2) +2alpha-circumflex'[s/sub a/ +(1/2)(t-summationm/sub i/ 2 )] for any given hadronic process 1+2→3+4, where S/sub i/ and m/sub i/ are the spins and masses of i = 1,2,3,4, and √s/sub a/ is the effective mass of the lowest nonvanishing contribution (a) exchanged in the crossed channel. By requiring a minimization of secondary (background, etc.) contributions to a, and demanding simultaneous consistency for entire sets of such processes, we are then able to calculate the masses of all the lowest pseudoscalar and vector qq-bar states with q = u,d,s and the Regge trajectories on which they lie. By making certain additional assumptions we are also able to do this with q = u,d,c and q = u,d,b. Our only arbitrary parameters are m/sub rho/, m/sub K/*, m/sub psi/, and m/sub Upsilon/, one of which merely serves to fix the energy scale. In contrast to many other approaches, a small m/sub π/ 2 /m/sub rho/ 2 ratio arises quite naturally in the present scheme

Systematics of first 2+ state g factors around mass 80

International Nuclear Information System (INIS)

Mertzimekis, T.J.; Stuchbery, A.E.; Benczer-Koller, N.; Taylor, M.J.

2003-01-01

The systematics of the first 2 + state g factors in the mass 80 region are investigated in terms of an IBM-II analysis, a pairing-corrected geometrical model, and a shell-model approach. Subshell closure effects at N=38 and overall trends were examined using IBM-II. A large-space shell-model calculation was successful in describing the behavior for N=48 and N=50 nuclei, where single-particle features are prominent. A schematic truncated-space calculation was applied to the lighter isotopes. The variations of the effective boson g factors are discussed in connection with the role of F-spin breaking, and comparisons are made between the mass 80 and mass 180 regions

Calculation of the fissile mass of a graphite moderated critical assembly using 93% enriched uranium

International Nuclear Information System (INIS)

Correa, F.; Marzo, M.A.S.; Collussi, I.; Ferreira, A.C.A.

1976-01-01

The critical mass of uranium has been calculated for a graphite moderated set fueled with 93% enriched uranium to be mounted on the Instituto de Energia Atomica split table Zero Power Reactor. The core composition was optimized to permit the maximum number of configurations to be studied. Analysis of three core compositions shows that 8 Kg of uranium enriched to 93% - U-235 (by weight) and 100 Kg of thorium would be sufficient for criticality experiments [pt

Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations

Science.gov (United States)

Karthikeyan, N.; Joseph Prince, J.; Ramalingam, S.; Periandy, S.

2015-03-01

In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The 13C and 1H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied.

Critical and subcritical mass calculations of curium-243 to -247 based on JENDL-3.2 for revision of ANSI/ANS-8.15

Energy Technology Data Exchange (ETDEWEB)

Okuno, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Kawasaki, Hiromitsu [CRC Solutions Corporation, Hitachinaka, Ibaraki (Japan)

2002-10-01

Critical and subcritical masses were calculated for a sphere of five curium isotopes from {sup 243}Cm to {sup 247}Cm in metal and in metal-water mixtures considering three reflector conditions: bare, with a water reflector or a stainless steel reflector. The calculation were made mainly with a combination of a continuous energy Monte Carlo neutron transport calculation code, MCNP, and the Japanese Evaluated Nuclear Data Library, JENDL-3.2. Other evaluated nuclear data files, ENDF/B-VI and JEF-2.2, were also applied to find differences in calculation results of the neutron multiplication factor originated from different nuclear data files. A large dependence on the evaluated nuclear data files was found in the calculation results: more than 10%{delta}k/k relative differences in the neutron multiplication factor for a homogeneous mixture of {sup 243}Cm metal and water when JENDL-3.2 was replaced with ENDF/B-VI and JEF-2.2, respectively; and a 44% reduction in the critical mass by changing from JENDL-3.2 to ENDF/B-VI for {sup 246}Cm metal. The present study supplied basic information to the ANSI/ANS-8.15 Working Group for revision of the standard for nuclear criticality control of special actinide elements. The new or revised values of the subcritical mass limits for curium isotopes accepted by the ANSI/ANS-8.15 Working Group were finally summarized. (author)

Calculation of Complexity Costs – An Approach for Rationalizing a Product Program

DEFF Research Database (Denmark)

Hansen, Christian Lindschou; Mortensen, Niels Henrik; Hvam, Lars

2012-01-01

This paper proposes an operational method for rationalizing a product program based on the calculation of complexity costs. The method takes its starting point in the calculation of complexity costs on a product program level. This is done throughout the value chain ranging from component invento...... of a product program. These findings represent an improved decision basis for the planning of reactive and proactive initiatives of rationalizing a product program.......This paper proposes an operational method for rationalizing a product program based on the calculation of complexity costs. The method takes its starting point in the calculation of complexity costs on a product program level. This is done throughout the value chain ranging from component...... inventories at the factory sites, all the way to the distribution of finished goods from distribution centers to the customers. The method proposes a step-wise approach including the analysis, quantification and allocation of product program complexity costs by the means of identifying of a number...

Constraints on the nuclear equation of state from nuclear masses and radii in a Thomas-Fermi meta-modeling approach

Science.gov (United States)

Chatterjee, D.; Gulminelli, F.; Raduta, Ad. R.; Margueron, J.

2017-12-01

The question of correlations among empirical equation of state (EoS) parameters constrained by nuclear observables is addressed in a Thomas-Fermi meta-modeling approach. A recently proposed meta-modeling for the nuclear EoS in nuclear matter is augmented with a single finite size term to produce a minimal unified EoS functional able to describe the smooth part of the nuclear ground state properties. This meta-model can reproduce the predictions of a large variety of models, and interpolate continuously between them. An analytical approximation to the full Thomas-Fermi integrals is further proposed giving a fully analytical meta-model for nuclear masses. The parameter space is sampled and filtered through the constraint of nuclear mass reproduction with Bayesian statistical tools. We show that this simple analytical meta-modeling has a predictive power on masses, radii, and skins comparable to full Hartree-Fock or extended Thomas-Fermi calculations with realistic energy functionals. The covariance analysis on the posterior distribution shows that no physical correlation is present between the different EoS parameters. Concerning nuclear observables, a strong correlation between the slope of the symmetry energy and the neutron skin is observed, in agreement with previous studies.

Mass Optimization of Battery/Supercapacitors Hybrid Systems Based on a Linear Programming Approach

Science.gov (United States)

Fleury, Benoit; Labbe, Julien

2014-08-01

The objective of this paper is to show that, on a specific launcher-type mission profile, a 40% gain of mass is expected using a battery/supercapacitors active hybridization instead of a single battery solution. This result is based on the use of a linear programming optimization approach to perform the mass optimization of the hybrid power supply solution.

Body Mass Index: Calculator for Child and Teen

Science.gov (United States)

... Healthy Weight Sample Link BMI Percentile Calculator for Child and Teen English Version Language: English Español (Spanish) ... and Weight Accurately At Home BMI Calculator for Child and Teen ( English | Metric ) 1. Birth Date : Month: ...

Lattice QCD Calculation of Nucleon Structure

Energy Technology Data Exchange (ETDEWEB)

Liu, Keh-Fei [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy; Draper, Terrence [University of Kentucky, Lexington, KY (United States). Dept. of Physics and Astronomy

2016-08-30

It is emphasized in the 2015 NSAC Long Range Plan that "understanding the structure of hadrons in terms of QCD's quarks and gluons is one of the central goals of modern nuclear physics." Over the last three decades, lattice QCD has developed into a powerful tool for ab initio calculations of strong-interaction physics. Up until now, it is the only theoretical approach to solving QCD with controlled statistical and systematic errors. Since 1985, we have proposed and carried out first-principles calculations of nucleon structure and hadron spectroscopy using lattice QCD which entails both algorithmic development and large-scale computer simulation. We started out by calculating the nucleon form factors -- electromagnetic, axial-vector, πNN, and scalar form factors, the quark spin contribution to the proton spin, the strangeness magnetic moment, the quark orbital angular momentum, the quark momentum fraction, and the quark and glue decomposition of the proton momentum and angular momentum. The first round of calculations were done with Wilson fermions in the `quenched' approximation where the dynamical effects of the quarks in the sea are not taken into account in the Monte Carlo simulation to generate the background gauge configurations. Beginning in 2000, we have started implementing the overlap fermion formulation into the spectroscopy and structure calculations. This is mainly because the overlap fermion honors chiral symmetry as in the continuum. It is going to be more and more important to take the symmetry into account as the simulations move closer to the physical point where the u and d quark masses are as light as a few MeV only. We began with lattices which have quark masses in the sea corresponding to a pion mass at ~ 300 MeV and obtained the strange form factors, charm and strange quark masses, the charmonium spectrum and the D_s meson decay constant f_Ds, the strangeness and charmness, the meson mass

On the quark-mass dependence of baryon ground-state masses

International Nuclear Information System (INIS)

Semke, Alexander

2010-01-01

Baryon masses of the flavour SU(3) octet and decuplet baryons are calculated in the framework of the Chiral Perturbations Theory - the effective field theory of the strong interaction. The chiral extrapolation to the higher meson (quark) masses is carried out. The comparison with the recent results on the baryon masses from lattice calculations are presented. (orig.)

On the quark-mass dependence of baryon ground-state masses

Energy Technology Data Exchange (ETDEWEB)

Semke, Alexander

2010-02-17

Baryon masses of the flavour SU(3) octet and decuplet baryons are calculated in the framework of the Chiral Perturbations Theory - the effective field theory of the strong interaction. The chiral extrapolation to the higher meson (quark) masses is carried out. The comparison with the recent results on the baryon masses from lattice calculations are presented. (orig.)

Self-consistent green function calculations for isospin asymmetric nuclear matter

International Nuclear Information System (INIS)

Mansour, Hesham; Gad, Khalaf; Hassaneen, Khaled S.A.

2010-01-01

The one-body potentials for protons and neutrons are obtained from the self-consistent Green-function calculations of asymmetric nuclear matter, in particular their dependence on the degree of proton/neutron asymmetry. Results of the binding energy per nucleon as a function of the density and asymmetry parameter are presented for the self-consistent Green function approach using the CD-Bonn potential. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The contribution of the hole-hole terms leads to a repulsive contribution to the energy per nucleon which increases with the nuclear density. The incompressibility for asymmetric nuclear matter has been also investigated in the framework of the self-consistent Green-function approach using the CD-Bonn potential. The behavior of the incompressibility is studied for different values of the nuclear density and the neutron excess parameter. The nuclear symmetry potential at fixed nuclear density is also calculated and its value decreases with increasing the nucleon energy. In particular, the nuclear symmetry potential at saturation density changes from positive to negative values at nucleon kinetic energy of about 200 MeV. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The proton/neutron effective mass splitting in neutron-rich matter has been studied. The predicted isospin splitting of the proton/neutron effective mass splitting in neutron-rich matter is such that m n * ≥ m p * . (author)

Tuning the Electronic Properties, Effective Mass and Carrier Mobility of MoS2 Monolayer by Strain Engineering: First-Principle Calculations

Science.gov (United States)

Phuc, Huynh V.; Hieu, Nguyen N.; Hoi, Bui D.; Hieu, Nguyen V.; Thu, Tran V.; Hung, Nguyen M.; Ilyasov, Victor V.; Poklonski, Nikolai A.; Nguyen, Chuong V.

2018-01-01

In this paper, we studied the electronic properties, effective masses, and carrier mobility of monolayer MoS_2 using density functional theory calculations. The carrier mobility was considered by means of ab initio calculations using the Boltzmann transport equation coupled with deformation potential theory. The effects of mechanical biaxial strain on the electronic properties, effective mass, and carrier mobility of monolayer MoS_2 were also investigated. It is demonstrated that the electronic properties, such as band structure and density of state, of monolayer MoS_2 are very sensitive to biaxial strain, leading to a direct-indirect transition in semiconductor monolayer MoS_2. Moreover, we found that the carrier mobility and effective mass can be enhanced significantly by biaxial strain and by lowering temperature. The electron mobility increases over 12 times with a biaxial strain of 10%, while the carrier mobility gradually decreases with increasing temperature. These results are very useful for the future nanotechnology, and they make monolayer MoS_2 a promising candidate for application in nanoelectronic and optoelectronic devices.

Dynamic retardation corrections to the mass spectrum of heavy quarkonia

International Nuclear Information System (INIS)

Kopalejshvili, T.; Rusetskij, A.

1996-01-01

In the framework of the Logunov-Tavkhelidze quasipotential approach the first-order retardation corrections to the heavy quarkonia mass spectrum are calculated with the use of the stationary wave boundary condition in the covariant kernel of the Bethe-Salpeter equation. As has been expected, these corrections turn out to be small for all low-lying heavy meson states and vanish in the heavy quark limit (m Q →∞). The comparison of the suggested approach to the calculation of retardation corrections with others, known in literature, is carried out. 22 refs., 1 tab

Influence of Coulomb effects on the resolving power of multireflection mass-spectrometer systems

International Nuclear Information System (INIS)

Skoblin, M G; Kopaev, I A; Monastyrskiy, M A; Alimpiev, S S; Greenfield, D E; Makarov, A A

2015-01-01

General theoretical approaches to the modelling of Coulomb effects in short ion bunches, developed previously by the authors, are applied in this paper to the calculation of multireflection mass-spectrometer systems. A separate module of the MASIM 3D applied software package is designed. An adaptive computational procedure for calculating the 'mirror potential' induced by an ion bunch on the surface of field-forming electrodes is proposed. The dynamics of ion bunches in a time-of-flight reflectron-type mass analyser is calculated and the limitations on the resolving power, caused by resonant Coulomb effects of self-bunching and coalescence in the groups of particles with close masses, are revealed on the basis of numerical experiments. (laser applications and other topics in quantum electronics)

Implications of improved Higgs mass calculations for supersymmetric models.

Science.gov (United States)

Buchmueller, O; Dolan, M J; Ellis, J; Hahn, T; Heinemeyer, S; Hollik, W; Marrouche, J; Olive, K A; Rzehak, H; de Vries, K J; Weiglein, G

We discuss the allowed parameter spaces of supersymmetric scenarios in light of improved Higgs mass predictions provided by FeynHiggs 2.10.0. The Higgs mass predictions combine Feynman-diagrammatic results with a resummation of leading and subleading logarithmic corrections from the stop/top sector, which yield a significant improvement in the region of large stop masses. Scans in the pMSSM parameter space show that, for given values of the soft supersymmetry-breaking parameters, the new logarithmic contributions beyond the two-loop order implemented in FeynHiggs tend to give larger values of the light CP-even Higgs mass, [Formula: see text], in the region of large stop masses than previous predictions that were based on a fixed-order Feynman-diagrammatic result, though the differences are generally consistent with the previous estimates of theoretical uncertainties. We re-analyse the parameter spaces of the CMSSM, NUHM1 and NUHM2, taking into account also the constraints from CMS and LHCb measurements of [Formula: see text]and ATLAS searches for [Formula: see text] events using 20/fb of LHC data at 8 TeV. Within the CMSSM, the Higgs mass constraint disfavours [Formula: see text], though not in the NUHM1 or NUHM2.

Implications of improved Higgs mass calculations for supersymmetric models

Energy Technology Data Exchange (ETDEWEB)

Buchmueller, O. [Imperial College, London (United Kingdom). High Energy Physics Group; Dolan, M.J. [SLAC National Accelerator Laboratory, Menlo Park, CA (United States). Theory Group; Ellis, J. [King' s College, London (United Kingdom). Theoretical Particle Physics and Cosmology Group; and others

2014-03-15

We discuss the allowed parameter spaces of supersymmetric scenarios in light of improved Higgs mass predictions provided by FeynHiggs 2.10.0. The Higgs mass predictions combine Feynman-diagrammatic results with a resummation of leading and subleading logarithmic corrections from the stop/top sector, which yield a significant improvement in the region of large stop masses. Scans in the pMSSM parameter space show that, for given values of the soft supersymmetry-breaking parameters, the new logarithmic contributions beyond the two-loop order implemented in FeynHiggs tend to give larger values of the light CP-even Higgs mass, M{sub h}, in the region of large stop masses than previous predictions that were based on a fixed-order Feynman-diagrammatic result, though the differences are generally consistent with the previous estimates of theoretical uncertainties. We re-analyze the parameter spaces of the CMSSM, NUHM1 and NUHM2, taking into account also the constraints from CMS and LHCb measurements of BR(B{sub s}→μ{sup +}μ{sup -}) and ATLAS searches for E{sub T} events using 20/fb of LHC data at 8 TeV. Within the CMSSM, the Higgs mass constraint disfavours tan β

Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations.

Science.gov (United States)

Karthikeyan, N; Prince, J Joseph; Ramalingam, S; Periandy, S

2015-03-15

In this research work, the vibrational IR, polarization Raman, NMR and mass spectra of terephthalic acid (TA) were recorded. The observed fundamental peaks (IR, Raman) were assigned according to their distinctiveness region. The hybrid computational calculations were carried out for calculating geometrical and vibrational parameters by DFT (B3LYP and B3PW91) methods with 6-31++G(d,p) and 6-311++G(d,p) basis sets and the corresponding results were tabulated. The molecular mass spectral data related to base molecule and substitutional group of the compound was analyzed. The modification of the chemical property by the reaction mechanism of the injection of dicarboxylic group in the base molecule was investigated. The (13)C and (1)H NMR spectra were simulated by using the gauge independent atomic orbital (GIAO) method and the absolute chemical shifts related to TMS were compared with experimental spectra. The study on the electronic and optical properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, were performed by hybrid Gaussian calculation methods. The orbital energies of different levels of HOMO and LUMO were calculated and the molecular orbital lobe overlapping showed the inter charge transformation between the base molecule and ligand group. From the frontier molecular orbitals (FMO), the possibility of electrophilic and nucleophilic hit also analyzed. The NLO activity of the title compound related to Polarizability and hyperpolarizability were also discussed. The present molecule was fragmented with respect to atomic mass and the mass variation depends on the substitutions have also been studied. Crown Copyright © 2014. Published by Elsevier B.V. All rights reserved.

Numerical probabilistic analysis for slope stability in fractured rock masses using DFN-DEM approach

Directory of Open Access Journals (Sweden)

Alireza Baghbanan

2017-06-01

Full Text Available Due to existence of uncertainties in input geometrical properties of fractures, there is not any unique solution for assessing the stability of slopes in jointed rock masses. Therefore, the necessity of applying probabilistic analysis in these cases is inevitable. In this study a probabilistic analysis procedure together with relevant algorithms are developed using Discrete Fracture Network-Distinct Element Method (DFN-DEM approach. In the right abutment of Karun 4 dam and downstream of the dam body, five joint sets and one major joint have been identified. According to the geometrical properties of fractures in Karun river valley, instability situations are probable in this abutment. In order to evaluate the stability of the rock slope, different combinations of joint set geometrical parameters are selected, and a series of numerical DEM simulations are performed on generated and validated DFN models in DFN-DEM approach to measure minimum required support patterns in dry and saturated conditions. Results indicate that the distribution of required bolt length is well fitted with a lognormal distribution in both circumstances. In dry conditions, the calculated mean value is 1125.3 m, and more than 80 percent of models need only 1614.99 m of bolts which is a bolt pattern with 2 m spacing and 12 m length. However, as for the slopes with saturated condition, the calculated mean value is 1821.8 m, and more than 80 percent of models need only 2653.49 m of bolts which is equivalent to a bolt pattern with 15 m length and 1.5 m spacing. Comparison between obtained results with numerical and empirical method show that investigation of a slope stability with different DFN realizations which conducted in different block patterns is more efficient than the empirical methods.

Development of thermophysical calculator for stainless steel casting alloys by using CALPHAD approach

Directory of Open Access Journals (Sweden)

In-Sung Cho

2017-11-01

Full Text Available The calculation of thermophysical properties of stainless steel castings and its application to casting simulation is discussed. It is considered that accurate thermophysical properties of the casting alloys are necessary for the valid simulation of the casting processes. Although previous thermophysical calculation software requires a specific knowledge of thermodynamics, the calculation method proposed in the present study does not require any special knowledge of thermodynamics, but only the information of compositions of the alloy. The proposed calculator is based on the CALPHAD approach for modeling of multi-component alloys, especially in stainless steels. The calculator proposed in the present study can calculate thermophysical properties of eight-component systems on an iron base alloy (Fe-C-Si-Cr-Mn-Ni-Cu-Mo, and several Korean standard stainless steel alloys were calculated and discussed. The calculator can evaluate the thermophysical properties of the alloys such as density, heat capacity, enthalpy, latent heat, etc, based on full Gibbs energy for each phase. It is expected the proposed method can help casting experts to devise the casting design and its process easily in the field of not only stainless steels but also other alloy systems such as aluminum, copper, zinc, etc.

Ab initio calculation of the neutron-proton mass difference

Science.gov (United States)

Borsanyi, Sz.; Durr, S.; Fodor, Z.; Hoelbling, C.; Katz, S. D.; Krieg, S.; Lellouch, L.; Lippert, T.; Portelli, A.; Szabo, K. K.; Toth, B. C.

2015-03-01

The existence and stability of atoms rely on the fact that neutrons are more massive than protons. The measured mass difference is only 0.14% of the average of the two masses. A slightly smaller or larger value would have led to a dramatically different universe. Here, we show that this difference results from the competition between electromagnetic and mass isospin breaking effects. We performed lattice quantum-chromodynamics and quantum-electrodynamics computations with four nondegenerate Wilson fermion flavors and computed the neutron-proton mass-splitting with an accuracy of 300 kilo-electron volts, which is greater than 0 by 5 standard deviations. We also determine the splittings in the Σ, Ξ, D, and Ξcc isospin multiplets, exceeding in some cases the precision of experimental measurements.

Calculation of sound propagation in fibrous materials

DEFF Research Database (Denmark)

Tarnow, Viggo

1996-01-01

Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements.......Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements....

Calculation of parameters of radial-piston reducer based on the use of functional semantic networks

Directory of Open Access Journals (Sweden)

Pashkevich V.M.

2016-12-01

Full Text Available The questions of сalculation of parameters of radial-piston reducer are considered in this article. It is used the approach which is based technologies of functional semantic networks. It is considered possibility applications of functional se-mantic networks for calculation of parameters of radial-piston reducer. Semantic networks to calculate the mass of the radial piston reducer are given.

FIRST DETERMINATION OF THE TRUE MASS OF CORONAL MASS EJECTIONS: A NOVEL APPROACH TO USING THE TWO STEREO VIEWPOINTS

International Nuclear Information System (INIS)

Colaninno, Robin C.; Vourlidas, Angelos

2009-01-01

The twin Sun Earth Connection Coronal and Heliospheric Investigation (SECCHI) COR2 coronagraphs of the Solar Terrestrial Relations Observatory (STEREO) provide images of the solar corona from two viewpoints in the solar system. Since their launch in late 2006, the STEREO Ahead (A) and Behind (B) spacecraft have been slowly separating from Earth at a rate of 22. 0 5 per year. By the end of 2007, the two spacecraft were separated by more than 40 deg. from each other. At that time, we began to see large-scale differences in the morphology and total intensity between coronal mass ejections (CMEs) observed with SECCHI-COR2 on STEREO-A and B. Due to the effects of the Thomson scattering geometry, the intensity of an observed CME is dependent on the angle it makes with the observed plane of the sky. From the intensity images, we can calculate the integrated line-of-sight electron density and mass. We demonstrate that it is possible to simultaneously derive the direction and true total mass of the CME if we make the simple assumption that the same mass should be observed in COR2-A and B.

Downscaling of the global climate model data for the mass balance calculation of mountain glaciers

Directory of Open Access Journals (Sweden)

P. A. Morozova

2017-01-01

Full Text Available In this paper, we consider a hybrid method of downscaling of the GCM‑generated meteorological fields to the characteristic spatial resolution which is usually used for modeling of a single mountain glacier mass balance. The main purpose of the study is to develop a reliable forecasting method to evaluate future state of moun‑ tain glaciation under changing climatic conditions. The method consists of two stages. In the first or dynamical stage, we use results of calculations of the regional numerical model HadRM3P for the Black Sea‑Caspian region with a spatial resolution of 25 km [22]. Initial conditions for the HadRM3P were provided by the GCM devel‑ oped in the Institute of Numerical Mathematics of RAS (INMCM4 [18]. Calculations were carried out for two time periods: the present climate (1971–2000 and climate in the late 21st century (2071–2100 according to the scenario of greenhouse gas emissions RCP 8.5. On the second stage of downscaling, further regionalization is achieved by projecting of RCM‑generated data to the high‑resolution (25 m digital altitude model in a domain enclosing a target glacier. Altitude gradients of the surface air temperature and precipitation were derived from the model data. Further on, both were corrected using data of observations. Incoming shortwave radiation was calculated in the mass balance model separately, taking into account characteristics of the slope, i.e. exposition and shading of each cell. Then, the method was tested for glaciers Marukh (Western Caucasus and Jankuat (Central Caucasus, both for the present‑day and for future climates. At the end of the 21st century, the air tem‑ perature rise predicted for the summer months was calculated to be about 5–6 °C, and the result for the winter to be minus 2–3 °C. Change in annual precipitation is not significant, less than 10%. Increase in the total short‑ wave radiation will be about 5%. These changes will result in the fact that

Thermal radiation transfer calculations in combustion fields using the SLW model coupled with a modified reference approach

Science.gov (United States)

Darbandi, Masoud; Abrar, Bagher

2018-01-01

The spectral-line weighted-sum-of-gray-gases (SLW) model is considered as a modern global model, which can be used in predicting the thermal radiation heat transfer within the combustion fields. The past SLW model users have mostly employed the reference approach to calculate the local values of gray gases' absorption coefficient. This classical reference approach assumes that the absorption spectra of gases at different thermodynamic conditions are scalable with the absorption spectrum of gas at a reference thermodynamic state in the domain. However, this assumption cannot be reasonable in combustion fields, where the gas temperature is very different from the reference temperature. Consequently, the results of SLW model incorporated with the classical reference approach, say the classical SLW method, are highly sensitive to the reference temperature magnitude in non-isothermal combustion fields. To lessen this sensitivity, the current work combines the SLW model with a modified reference approach, which is a particular one among the eight possible reference approach forms reported recently by Solovjov, et al. [DOI: 10.1016/j.jqsrt.2017.01.034, 2017]. The combination is called "modified SLW method". This work shows that the modified reference approach can provide more accurate total emissivity calculation than the classical reference approach if it is coupled with the SLW method. This would be particularly helpful for more accurate calculation of radiation transfer in highly non-isothermal combustion fields. To approve this, we use both the classical and modified SLW methods and calculate the radiation transfer in such fields. It is shown that the modified SLW method can almost eliminate the sensitivity of achieved results to the chosen reference temperature in treating highly non-isothermal combustion fields.

Calculation of weighted averages approach for the estimation of ping tolerance values

Science.gov (United States)

Silalom, S.; Carter, J.L.; Chantaramongkol, P.

2010-01-01

A biotic index was created and proposed as a tool to assess water quality in the Upper Mae Ping sub-watersheds. The Ping biotic index was calculated by utilizing Ping tolerance values. This paper presents the calculation of Ping tolerance values of the collected macroinvertebrates. Ping tolerance values were estimated by a weighted averages approach based on the abundance of macroinvertebrates and six chemical constituents that include conductivity, dissolved oxygen, biochemical oxygen demand, ammonia nitrogen, nitrate nitrogen and orthophosphate. Ping tolerance values range from 0 to 10. Macroinvertebrates assigned a 0 are very sensitive to organic pollution while macroinvertebrates assigned 10 are highly tolerant to pollution.

A new approach for calculation of volume confined by ECR surface and its area in ECR ion source

International Nuclear Information System (INIS)

Filippov, A.V.

2007-01-01

The volume confined by the resonance surface and its area are important parameters of the balance equations model for calculation of ion charge-state distribution (CSD) in the electron-cyclotron resonance (ECR) ion source. A new approach for calculation of these parameters is given. This approach allows one to reduce the number of parameters in the balance equations model

New approach to invariant-embedding methods in reactor physics calculations

International Nuclear Information System (INIS)

Forsbacka, M.J.; Rydin, R.A.

1997-01-01

Invariant-embedding methods offer an alternative approach to modeling physical phenomena and solving mathematical problems. Invariant embedding allows one to express traditional boundary-value problems as initial-value problems. In doing this, one effectively reformulates a problem to be solved in terms of an embedding parameter. In this paper, a hybrid method that consists of Monte Carlo-generated response functions that describe the neutronic properties of local spatial cells are coupled together in a global reactor model using the invariant embedding methodology, where the system multiplication factor k eff is used as the embedding parameter. Thus, k eff is computed directly rather than as the result of a secondary eigenvalue calculation. Because the response functions can represent any arbitrary material distribution within a local cell, this method shows promise to accurately assess the change in reactivity due to core disruptive accidents and other changes in system configuration such as changing control rod positions. This paper reports a series of proof-of-concept calculations that assess this method

Functional renormalization group approach to electronic structure calculations for systems without translational symmetry

Science.gov (United States)

Seiler, Christian; Evers, Ferdinand

2016-10-01

A formalism for electronic-structure calculations is presented that is based on the functional renormalization group (FRG). The traditional FRG has been formulated for systems that exhibit a translational symmetry with an associated Fermi surface, which can provide the organization principle for the renormalization group (RG) procedure. We here advance an alternative formulation, where the RG flow is organized in the energy-domain rather than in k space. This has the advantage that it can also be applied to inhomogeneous matter lacking a band structure, such as disordered metals or molecules. The energy-domain FRG (ɛ FRG) presented here accounts for Fermi-liquid corrections to quasiparticle energies and particle-hole excitations. It goes beyond the state of the art G W -BSE , because in ɛ FRG the Bethe-Salpeter equation (BSE) is solved in a self-consistent manner. An efficient implementation of the approach that has been tested against exact diagonalization calculations and calculations based on the density matrix renormalization group is presented. Similar to the conventional FRG, also the ɛ FRG is able to signalize the vicinity of an instability of the Fermi-liquid fixed point via runaway flow of the corresponding interaction vertex. Embarking upon this fact, in an application of ɛ FRG to the spinless disordered Hubbard model we calculate its phase boundary in the plane spanned by the interaction and disorder strength. Finally, an extension of the approach to finite temperatures and spin S =1 /2 is also given.

Fundamental theories of waves and particles formulated without classical mass

Science.gov (United States)

Fry, J. L.; Musielak, Z. E.

2010-12-01

Quantum and classical mechanics are two conceptually and mathematically different theories of physics, and yet they do use the same concept of classical mass that was originally introduced by Newton in his formulation of the laws of dynamics. In this paper, physical consequences of using the classical mass by both theories are explored, and a novel approach that allows formulating fundamental (Galilean invariant) theories of waves and particles without formally introducing the classical mass is presented. In this new formulation, the theories depend only on one common parameter called 'wave mass', which is deduced from experiments for selected elementary particles and for the classical mass of one kilogram. It is shown that quantum theory with the wave mass is independent of the Planck constant and that higher accuracy of performing calculations can be attained by such theory. Natural units in connection with the presented approach are also discussed and justification beyond dimensional analysis is given for the particular choice of such units.

Simplified Analytic Approach of Pole-to-Pole Faults in MMC-HVDC for AC System Backup Protection Setting Calculation

Directory of Open Access Journals (Sweden)

Tongkun Lan

2018-01-01

Full Text Available AC (alternating current system backup protection setting calculation is an important basis for ensuring the safe operation of power grids. With the increasing integration of modular multilevel converter based high voltage direct current (MMC-HVDC into power grids, it has been a big challenge for the AC system backup protection setting calculation, as the MMC-HVDC lacks the fault self-clearance capability under pole-to-pole faults. This paper focused on the pole-to-pole faults analysis for the AC system backup protection setting calculation. The principles of pole-to-pole faults analysis were discussed first according to the standard of the AC system protection setting calculation. Then, the influence of fault resistance on the fault process was investigated. A simplified analytic approach of pole-to-pole faults in MMC-HVDC for the AC system backup protection setting calculation was proposed. In the proposed approach, the derived expressions of fundamental frequency current are applicable under arbitrary fault resistance. The accuracy of the proposed approach was demonstrated by PSCAD/EMTDC (Power Systems Computer-Aided Design/Electromagnetic Transients including DC simulations.

Analytic calculations of masses in Hamiltonian lattice theories

International Nuclear Information System (INIS)

Horn, D.

1985-01-01

The t-expansion of the vacuum energy function is discussed and several relations involving the connected matrix elements of powers of the hamiltonian are established. On the basis of these relations we show that the masses of the lowest lying O ++ states can be expressed as ratios of derivatives of the energy function. Other sectors of Hilbert space are discussed and a recent result for the SU(2) glueball mass, derived by using such relations as described here, is briefly reviewed. (author)

A Web tool for calculating k0-NAA uncertainties

International Nuclear Information System (INIS)

Younes, N.; Robouch, P.

2003-01-01

The calculation of uncertainty budgets is becoming a standard step in reporting analytical results. This gives rise to the need for simple, easily accessed tools to calculate uncertainty budgets. An example of such a tool is the Excel spreadsheet approach of Robouch et al. An internet application which calculates uncertainty budgets for k 0 -NAA is presented. The Web application has built in 'Literature' values for standard isotopes and accepts as inputs fixed information such as the thermal to epithermal neutron flux ratio, as well as experiment specific data such as the mass of the sample. The application calculates and displays intermediate uncertainties as well as the final combined uncertainty of the element concentration in the sample. The interface only requires access to a standard browser and is thus easily accessible to researchers and laboratories. This may facilitate and standardize the calculation of k 0 -NAA uncertainty budgets. (author)

The Gogny-Hartree-Fock-Bogoliubov nuclear-mass model

Energy Technology Data Exchange (ETDEWEB)

Goriely, S. [Universite Libre de Bruxelles, Institut d' Astronomie et d' Astrophysique, CP-226, Brussels (Belgium); Hilaire, S.; Girod, M.; Peru, S. [CEA, DAM, DIF, Arpajon (France)

2016-07-15

We present the Gogny-Hartree-Fock-Bogoliubov model which reproduces nuclear masses with an accuracy comparable with the best mass formulas. In contrast to the Skyrme-HFB nuclear-mass models, an explicit and self-consistent account of all the quadrupole correlation energies is included within the 5D collective Hamiltonian approach. The final rms deviation with respect to the 2353 measured masses is 789 keV in the 2012 atomic mass evaluation. In addition, the D1M Gogny force is shown to predict nuclear and neutron matter properties in agreement with microscopic calculations based on realistic two- and three-body forces. The D1M properties and its predictions of various observables are compared with those of D1S and D1N. (orig.)

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

International Nuclear Information System (INIS)

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

2005-01-01

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

Target mass corrections to electroweak structure functions and perturbative neutrino cross sections

International Nuclear Information System (INIS)

Kretzer, S.; Reno, M.H.

2004-01-01

We provide a complete and consistent framework to include subasymptotic perturbative as well as mass corrections to the leading twist (τ=2) evaluation of charged and neutral current weak structure functions and the perturbative neutrino cross sections. We reexamine previous calculations in a modern language and fill in the gaps that we find missing for a complete and ready-to-use 'NLO ξ-scaling' formulary. In particular, as a new result we formulate the mixing of the partonic and hadronic structure function tensor basis in the operator approach to deep inelastic scattering. As an underlying framework we follow the operator product expansion in the manner of Georgi and Politzer that allows the inclusion of target mass corrections at arbitrary order in QCD and we provide explicit analytical and numerical results at NLO. We compare this approach with a simpler collinear parton model approach to ξ scaling. Along with target mass corrections we include heavy quark mass effects as a calculable leading twist power suppressed correction. The complete corrections have been implemented into a Monte Carlo integration program to evaluate structure functions and/or integrated cross sections. As applications, we compare the operator approach with the collinear approximation numerically and we investigate the NLO and mass corrections to observables that are related to the extraction of the weak mixing angle from a Paschos-Wolfenstein-like relation in neutrino-iron scattering. We expect that the interpretation of neutrino scattering events in terms of oscillation physics and electroweak precision physics will benefit from our results

Resampling Approach for Determination of the Method for Reference Interval Calculation in Clinical Laboratory Practice▿

Science.gov (United States)

Pavlov, Igor Y.; Wilson, Andrew R.; Delgado, Julio C.

2010-01-01

Reference intervals (RI) play a key role in clinical interpretation of laboratory test results. Numerous articles are devoted to analyzing and discussing various methods of RI determination. The two most widely used approaches are the parametric method, which assumes data normality, and a nonparametric, rank-based procedure. The decision about which method to use is usually made arbitrarily. The goal of this study was to demonstrate that using a resampling approach for the comparison of RI determination techniques could help researchers select the right procedure. Three methods of RI calculation—parametric, transformed parametric, and quantile-based bootstrapping—were applied to multiple random samples drawn from 81 values of complement factor B observations and from a computer-simulated normally distributed population. It was shown that differences in RI between legitimate methods could be up to 20% and even more. The transformed parametric method was found to be the best method for the calculation of RI of non-normally distributed factor B estimations, producing an unbiased RI and the lowest confidence limits and interquartile ranges. For a simulated Gaussian population, parametric calculations, as expected, were the best; quantile-based bootstrapping produced biased results at low sample sizes, and the transformed parametric method generated heavily biased RI. The resampling approach could help compare different RI calculation methods. An algorithm showing a resampling procedure for choosing the appropriate method for RI calculations is included. PMID:20554803

Development and application of MASKA-LM code for calculation of thermal hydraulics and mass transfer of lead cooled fast reactors

International Nuclear Information System (INIS)

Vladimir Ya Kumaev; Andrei A Lebezov; Victor V Alexeev

2005-01-01

Full text of publication follows: The report is devoted to the development and application of the two-dimensional MASKA-LM computer code intended for numerical calculations of lead coolant flows, temperatures and transport of impurities in BREST-type reactors of the integral design. The description of heat and mass transfer in liquid metal systems, proceeding in the coolant and at the interface 'coolant - structural materials', is a complex problem involving the joint simulation of thermal-hydraulic, physical and chemical processes in view of the real configuration of the reactor circuit. The report presents the state-of-the-art in the development of the two-dimensional code MASKA-LM and the results of trial calculations of heat and mass transfer in the primary circuit of the lead cooled reactor. The set of governing equations to be solved is based on the porous body model and describes the thermal-hydraulic processes in the reactor as a whole. The numerical method for solution of the governing equations is discussed. To check the code workability and study the technique by the way of solution of a particular task, calculations were performed in reference to the chosen version of the lead cooled BREST reactor under design. The examined domain of the reactor was simulated by a porous body with the parameters corresponding to those of the real reactor medium in terms of heat generation, resistance and the geometry of the hydraulic path of coolant. Analysis of the calculated two-dimensional fields of velocities, pressure and temperatures shows the existence of a complex coolant flow with stagnant and vortex zones. A nonuniform distribution of the coolant flow rate along the core radius was obtained. The results of calculations of the impurity transport of iron, oxygen and magnetite in the primary reactor circuit are discussed as well. The developed code MASKA-LM allows one to evaluate the issue of components of structural materials into coolant as impurities, their

Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach.

Science.gov (United States)

Burusco, Kepa K; Bruce, Neil J; Alibay, Irfan; Bryce, Richard A

2015-10-26

Free energy simulations are an established computational tool in modelling chemical change in the condensed phase. However, sampling of kinetically distinct substates remains a challenge to these approaches. As a route to addressing this, we link the methods of thermodynamic integration (TI) and swarm-enhanced sampling molecular dynamics (sesMD), where simulation replicas interact cooperatively to aid transitions over energy barriers. We illustrate the approach by using alchemical alkane transformations in solution, comparing them with the multiple independent trajectory TI (IT-TI) method. Free energy changes for transitions computed by using IT-TI grew increasingly inaccurate as the intramolecular barrier was heightened. By contrast, swarm-enhanced sampling TI (sesTI) calculations showed clear improvements in sampling efficiency, leading to more accurate computed free energy differences, even in the case of the highest barrier height. The sesTI approach, therefore, has potential in addressing chemical change in systems where conformations exist in slow exchange. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparative assessment of different approaches for the use of CAD geometry in Monte Carlo transport calculations

International Nuclear Information System (INIS)

Weinhorst, Bastian; Fischer, Ulrich; Lu, Lei; Qiu, Yuefeng; Wilson, Paul

2015-01-01

Highlights: • Comparison of different approaches for the use of CAD geometry for Monte Carlo transport calculations. • Comparison with regard to user-friendliness and computation performance. • Three approaches, namely conversion with McCad, unstructured mesh feature of MCN6 and DAGMC. • Installation most complex for DAGMC, model preparation worst for McCad, computation performance worst for MCNP6. • Installation easiest for McCad, model preparation best for MCNP6, computation speed fastest for McCad. - Abstract: Computer aided design (CAD) is an important industrial way to produce high quality designs. Therefore, CAD geometries are in general used for engineering and the design of complex facilities like the ITER tokamak. Although Monte Carlo codes like MCNP are well suited to handle the complex 3D geometry of ITER for transport calculations, they rely on their own geometry description and are in general not able to directly use the CAD geometry. In this paper, three different approaches for the use of CAD geometries with MCNP calculations are investigated and assessed with regard to calculation performance and user-friendliness. The first method is the conversion of the CAD geometry into MCNP geometry employing the conversion software McCad developed by KIT. The second approach utilizes the MCNP6 mesh geometry feature for the particle tracking and relies on the conversion of the CAD geometry into a mesh model. The third method employs DAGMC, developed by the University of Wisconsin-Madison, for the direct particle tracking on the CAD geometry using a patched version of MCNP. The obtained results show that each method has its advantages depending on the complexity and size of the model, the calculation problem considered, and the expertise of the user.

Comparative assessment of different approaches for the use of CAD geometry in Monte Carlo transport calculations

Energy Technology Data Exchange (ETDEWEB)

Weinhorst, Bastian, E-mail: bastian.weinhorst@kit.edu [Karlsruhe Institute of Technology (KIT), Institute for Neutron Physics and Reactor Technology, Eggenstein-Leopoldshafen (Germany); Fischer, Ulrich; Lu, Lei; Qiu, Yuefeng [Karlsruhe Institute of Technology (KIT), Institute for Neutron Physics and Reactor Technology, Eggenstein-Leopoldshafen (Germany); Wilson, Paul [University of Wisconsin-Madison, Computational Nuclear Engineering Research Group, Madison, WI (United States)

2015-10-15

Highlights: • Comparison of different approaches for the use of CAD geometry for Monte Carlo transport calculations. • Comparison with regard to user-friendliness and computation performance. • Three approaches, namely conversion with McCad, unstructured mesh feature of MCN6 and DAGMC. • Installation most complex for DAGMC, model preparation worst for McCad, computation performance worst for MCNP6. • Installation easiest for McCad, model preparation best for MCNP6, computation speed fastest for McCad. - Abstract: Computer aided design (CAD) is an important industrial way to produce high quality designs. Therefore, CAD geometries are in general used for engineering and the design of complex facilities like the ITER tokamak. Although Monte Carlo codes like MCNP are well suited to handle the complex 3D geometry of ITER for transport calculations, they rely on their own geometry description and are in general not able to directly use the CAD geometry. In this paper, three different approaches for the use of CAD geometries with MCNP calculations are investigated and assessed with regard to calculation performance and user-friendliness. The first method is the conversion of the CAD geometry into MCNP geometry employing the conversion software McCad developed by KIT. The second approach utilizes the MCNP6 mesh geometry feature for the particle tracking and relies on the conversion of the CAD geometry into a mesh model. The third method employs DAGMC, developed by the University of Wisconsin-Madison, for the direct particle tracking on the CAD geometry using a patched version of MCNP. The obtained results show that each method has its advantages depending on the complexity and size of the model, the calculation problem considered, and the expertise of the user.

Calculation of the top quark mass in the flipped SU(5)xU(1) superstring model

Energy Technology Data Exchange (ETDEWEB)

Leontaris, G.K.; Rizos, J.; Tamvakis, K. (Ioannina Univ. (Greece). Dept. of Physics)

1990-11-08

We present a complete renormalization group calculation of the top-quark mass in the SU(5)xU(1) superstring model. We solve the coupled renormalization group equations for the gauge and Yukawa couplings in the two-loop approximation and obtain the top-quark mass as a function of two parameters of the model which could be chosen to be ratios of singlet VEVs associated with the surplus (U(1)){sup 4} breaking. We obtain a heavy top-quark with 150 GeV{le}m{sub t}<200 GeV, for most part of the parameter space, while lower values are possible only in a very small extremal region. We also compute the allowed range of unification parameters (M{sub x}, sin{sup 2}{theta}{sub w}, {alpha}{sub 3}(M{sub W})) in the presence of a heavy top-quark. (orig.).

Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

International Nuclear Information System (INIS)

Pask, J.E.; Klein, B.M.; Fong, C.Y.; Sterne, P.A.

1999-01-01

We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including electronic band structures and details of the convergence of the method. copyright 1999 The American Physical Society

A simple theoretical approach to determine relative ion yield (RIY) in glow discharge mass spectrometry (GDMS)

Energy Technology Data Exchange (ETDEWEB)

Born, Sabine [Degussa AG, Hanau (Germany); Matsunami, Noriaki [Nagoya Univ. (Japan). Faculty of Engineering; Tawara, Hiroyuki [National Inst. for Fusion Science, Toki, Gifu (Japan)

2000-01-01

Direct current glow discharge mass spectrometry (dc-GDMS) has been applied to detect impurities in metals. The aim of this study is to understand quantitatively the processes taking place in GDMS and establish a model to calculate the relative ion yield (RIY), which is inversely proportional to the relative sensitivity factor (RSF), in order to achieve better agreement between the calculated and the experimental RIYs. A comparison is made between the calculated RIY of the present model and the experimental RIY, and also with other models. (author)

Transient coupled calculations of the Molten Salt Fast Reactor using the Transient Fission Matrix approach

Energy Technology Data Exchange (ETDEWEB)

Laureau, A., E-mail: laureau.axel@gmail.com; Heuer, D.; Merle-Lucotte, E.; Rubiolo, P.R.; Allibert, M.; Aufiero, M.

2017-05-15

Highlights: • Neutronic ‘Transient Fission Matrix’ approach coupled to the CFD OpenFOAM code. • Fission Matrix interpolation model for fast spectrum homogeneous reactors. • Application for coupled calculations of the Molten Salt Fast Reactor. • Load following, over-cooling and reactivity insertion transient studies. • Validation of the reactor intrinsic stability for normal and accidental transients. - Abstract: In this paper we present transient studies of the Molten Salt Fast Reactor (MSFR). This generation IV reactor is characterized by a liquid fuel circulating in the core cavity, requiring specific simulation tools. An innovative neutronic approach called “Transient Fission Matrix” is used to perform spatial kinetic calculations with a reduced computational cost through a pre-calculation of the Monte Carlo spatial and temporal response of the system. Coupled to this neutronic approach, the Computational Fluid Dynamics code OpenFOAM is used to model the complex flow pattern in the core. An accurate interpolation model developed to take into account the thermal hydraulics feedback on the neutronics including reactivity and neutron flux variation is presented. Finally different transient studies of the reactor in normal and accidental operating conditions are detailed such as reactivity insertion and load following capacities. The results of these studies illustrate the excellent behavior of the MSFR during such transients.

Transient coupled calculations of the Molten Salt Fast Reactor using the Transient Fission Matrix approach

International Nuclear Information System (INIS)

Laureau, A.; Heuer, D.; Merle-Lucotte, E.; Rubiolo, P.R.; Allibert, M.; Aufiero, M.

2017-01-01

Highlights: • Neutronic ‘Transient Fission Matrix’ approach coupled to the CFD OpenFOAM code. • Fission Matrix interpolation model for fast spectrum homogeneous reactors. • Application for coupled calculations of the Molten Salt Fast Reactor. • Load following, over-cooling and reactivity insertion transient studies. • Validation of the reactor intrinsic stability for normal and accidental transients. - Abstract: In this paper we present transient studies of the Molten Salt Fast Reactor (MSFR). This generation IV reactor is characterized by a liquid fuel circulating in the core cavity, requiring specific simulation tools. An innovative neutronic approach called “Transient Fission Matrix” is used to perform spatial kinetic calculations with a reduced computational cost through a pre-calculation of the Monte Carlo spatial and temporal response of the system. Coupled to this neutronic approach, the Computational Fluid Dynamics code OpenFOAM is used to model the complex flow pattern in the core. An accurate interpolation model developed to take into account the thermal hydraulics feedback on the neutronics including reactivity and neutron flux variation is presented. Finally different transient studies of the reactor in normal and accidental operating conditions are detailed such as reactivity insertion and load following capacities. The results of these studies illustrate the excellent behavior of the MSFR during such transients.

Bump masses for BL Her stars

International Nuclear Information System (INIS)

Davis, C.G.

1982-01-01

The masses of classical Cepheids can be determined by using the phase of the Hertzsprung bump on the light or velocity curve, Cox-Stewart opacities, and nonlinear pulsation theory. The fact that these bump masses are some 60% lower than the evolutionary masses raises some questions about this approach. In support of our method, we calculate the light curve for BL Her, a population II Cepheid, with an observed bump on the declining portion of its light curve. The nonlinear hydrodynamic model we use (Davis and Davison - 1978) resolves the light curve by dynamic zoning and allows us the opportunity to make a direct comparison of the calculated light curve to the observations, using a prescribed mass, luminosity and effective temperature. The parameters for BL Her are from a linear model (Hodson, Cox, and King - 1982) that has nearly the correct period (1./sup d/2) and the correct period ratio from resonance theory (π 2 /π 0 = 0.53) for a bump to appear on the declining portion of the light curve as observed. These parameters are: M = 0.55 M, L = 95.0 L, and T/sub eff/ = 6500 K. This mass is near the evolutionary mass as described by Schwartzschild and Haerm (1970). The model results agree well with the observations and the color-T/sub eff/ relation has the same slope as that observed for RR Lyrae stars by the Oke, Giver and Searle (1965) relationship

Selfconsistent calculations for hyperdeformed nuclei

Energy Technology Data Exchange (ETDEWEB)

Molique, H.; Dobaczewski, J.; Dudek, J.; Luo, W.D. [Universite Louis Pasteur, Strasbourg (France)

1996-12-31

Properties of the hyperdeformed nuclei in the A {approximately} 170 mass range are re-examined using the self-consistent Hartree-Fock method with the SOP parametrization. A comparison with the previous predictions that were based on a non-selfconsistent approach is made. The existence of the {open_quotes}hyper-deformed shell closures{close_quotes} at the proton and neutron numbers Z=70 and N=100 and their very weak dependence on the rotational frequency is suggested; the corresponding single-particle energy gaps are predicted to play a role similar to that of the Z=66 and N=86 gaps in the super-deformed nuclei of the A {approximately} 150 mass range. Selfconsistent calculations suggest also that the A {approximately} 170 hyperdeformed structures have neglegible mass asymmetry in their shapes. Very importantly for the experimental studies, both the fission barriers and the {open_quotes}inner{close_quotes} barriers (that separate the hyperdeformed structures from those with smaller deformations) are predicted to be relatively high, up to the factor of {approximately}2 higher than the corresponding ones in the {sup 152}Dy superdeformed nucleus used as a reference.

A new method to calculate permeability of gob for air leakage calculations and for improvements in methane control

Energy Technology Data Exchange (ETDEWEB)

Karacan, C.O. [National Inst. for Occupational Safety and Health, Pittsburgh, PA (United States). Office of Mine Safety and Health Research

2010-07-01

Although longwall underground mining can maximize coal production, it causes large scale disturbances of the surrounding rock mass due to fracturing and caving of the mine roof as the mine face advances. The porosity and permeability of the longwall gob can affect the methane and air flow patterns considerably. Since methane is a major hazard in underground coal mining operations, extensive methane control techniques are used to supplement the existing mine ventilation system, such as gob gas ventholes (GGV). However, the gob is rarely accessible for performing direct measurements of porosity and permeability. Therefore, this study presented a fractal approach for calculating the porosity and permeability from the size distribution of broken rock material in the gob, which can be determined from image analyses. The fractal approach constructs flow equations and fractal crushing equations for granular materials to predict porosity for a completely fragmented porous medium. The virtual fragmented fractal porous medium is exposed to various uniaxial stresses to simulate gob compaction and porosity and permeability changes during this process. It was concluded that the use of this fractal approach will result in better predictions regarding the flow amount and flow patterns in the gob, and facilitate leakage calculations and methane control projections. 29 refs., 4 tabs., 5 figs.

The Sun-Duffey mass effluents calculation model applied to bottom reflooding tests of a single tube performed at the CDTN

International Nuclear Information System (INIS)

Ladeira, L.C.D.; Rezende, H.C.

1993-01-01

A simple generalized model, developed by K.H. Sun and R.B. Duffey, is applied in this work to calculate the ratio of mass effluents during bottom reflooding of a single tube carried out at the CDTN/CNEN. The results of the benchmark experiments indicate that the accuracy on mass effluence ratio prediction can be within 15% by using the Sun-Duffey model. The reasonable agreement obtained between experimental data and model predictions suggest that it could be used for analysis of single tube reflood tests, in similar conditions. (author)

Time-dependent mass of cosmological perturbations in the hybrid and dressed metric approaches to loop quantum cosmology

Science.gov (United States)

Elizaga Navascués, Beatriz; Martín de Blas, Daniel; Mena Marugán, Guillermo A.

2018-02-01

Loop quantum cosmology has recently been applied in order to extend the analysis of primordial perturbations to the Planck era and discuss the possible effects of quantum geometry on the cosmic microwave background. Two approaches to loop quantum cosmology with admissible ultraviolet behavior leading to predictions that are compatible with observations are the so-called hybrid and dressed metric approaches. In spite of their similarities and relations, we show in this work that the effective equations that they provide for the evolution of the tensor and scalar perturbations are somewhat different. When backreaction is neglected, the discrepancy appears only in the time-dependent mass term of the corresponding field equations. We explain the origin of this difference, arising from the distinct quantization procedures. Besides, given the privileged role that the big bounce plays in loop quantum cosmology, e.g. as a natural instant of time to set initial conditions for the perturbations, we also analyze the positivity of the time-dependent mass when this bounce occurs. We prove that the mass of the tensor perturbations is positive in the hybrid approach when the kinetic contribution to the energy density of the inflaton dominates over its potential, as well as for a considerably large sector of backgrounds around that situation, while this mass is always nonpositive in the dressed metric approach. Similar results are demonstrated for the scalar perturbations in a sector of background solutions that includes the kinetically dominated ones; namely, the mass then is positive for the hybrid approach, whereas it typically becomes negative in the dressed metric case. More precisely, this last statement is strictly valid when the potential is quadratic for values of the inflaton mass that are phenomenologically favored.

Total mass difference statistics algorithm: a new approach to identification of high-mass building blocks in electrospray ionization Fourier transform ion cyclotron mass spectrometry data of natural organic matter.

Science.gov (United States)

Kunenkov, Erast V; Kononikhin, Alexey S; Perminova, Irina V; Hertkorn, Norbert; Gaspar, Andras; Schmitt-Kopplin, Philippe; Popov, Igor A; Garmash, Andrew V; Nikolaev, Evgeniy N

2009-12-15

The ultrahigh-resolution Fourier transform ion cyclotron resonance (FTICR) mass spectrum of natural organic matter (NOM) contains several thousand peaks with dozens of molecules matching the same nominal mass. Such a complexity poses a significant challenge for automatic data interpretation, in which the most difficult task is molecular formula assignment, especially in the case of heavy and/or multielement ions. In this study, a new universal algorithm for automatic treatment of FTICR mass spectra of NOM and humic substances based on total mass difference statistics (TMDS) has been developed and implemented. The algorithm enables a blind search for unknown building blocks (instead of a priori known ones) by revealing repetitive patterns present in spectra. In this respect, it differs from all previously developed approaches. This algorithm was implemented in designing FIRAN-software for fully automated analysis of mass data with high peak density. The specific feature of FIRAN is its ability to assign formulas to heavy and/or multielement molecules using "virtual elements" approach. To verify the approach, it was used for processing mass spectra of sodium polystyrene sulfonate (PSS, M(w) = 2200 Da) and polymethacrylate (PMA, M(w) = 3290 Da) which produce heavy multielement and multiply-charged ions. Application of TMDS identified unambiguously monomers present in the polymers consistent with their structure: C(8)H(7)SO(3)Na for PSS and C(4)H(6)O(2) for PMA. It also allowed unambiguous formula assignment to all multiply-charged peaks including the heaviest peak in PMA spectrum at mass 4025.6625 with charge state 6- (mass bias -0.33 ppm). Application of the TMDS-algorithm to processing data on the Suwannee River FA has proven its unique capacities in analysis of spectra with high peak density: it has not only identified the known small building blocks in the structure of FA such as CH(2), H(2), C(2)H(2)O, O but the heavier unit at 154.027 amu. The latter was

Effective Approach to Calculate Analysis Window in Infinite Discrete Gabor Transform

Directory of Open Access Journals (Sweden)

Rui Li

2018-01-01

Full Text Available The long-periodic/infinite discrete Gabor transform (DGT is more effective than the periodic/finite one in many applications. In this paper, a fast and effective approach is presented to efficiently compute the Gabor analysis window for arbitrary given synthesis window in DGT of long-periodic/infinite sequences, in which the new orthogonality constraint between analysis window and synthesis window in DGT for long-periodic/infinite sequences is derived and proved to be equivalent to the completeness condition of the long-periodic/infinite DGT. By using the property of delta function, the original orthogonality can be expressed as a certain number of linear equation sets in both the critical sampling case and the oversampling case, which can be fast and efficiently calculated by fast discrete Fourier transform (FFT. The computational complexity of the proposed approach is analyzed and compared with that of the existing canonical algorithms. The numerical results indicate that the proposed approach is efficient and fast for computing Gabor analysis window in both the critical sampling case and the oversampling case in comparison to existing algorithms.

Migration of antioxidants from polylactic acid films: A parameter estimation approach and an overview of the current mass transfer models.

Science.gov (United States)

Samsudin, Hayati; Auras, Rafael; Mishra, Dharmendra; Dolan, Kirk; Burgess, Gary; Rubino, Maria; Selke, Susan; Soto-Valdez, Herlinda

2018-01-01

Migration studies of chemicals from contact materials have been widely conducted due to their importance in determining the safety and shelf life of a food product in their packages. The US Food and Drug Administration (FDA) and the European Food Safety Authority (EFSA) require this safety assessment for food contact materials. So, migration experiments are theoretically designed and experimentally conducted to obtain data that can be used to assess the kinetics of chemical release. In this work, a parameter estimation approach was used to review and to determine the mass transfer partition and diffusion coefficients governing the migration process of eight antioxidants from poly(lactic acid), PLA, based films into water/ethanol solutions at temperatures between 20 and 50°C. Scaled sensitivity coefficients were calculated to assess simultaneously estimation of a number of mass transfer parameters. An optimal experimental design approach was performed to show the importance of properly designing a migration experiment. Additional parameters also provide better insights on migration of the antioxidants. For example, the partition coefficients could be better estimated using data from the early part of the experiment instead at the end. Experiments could be conducted for shorter periods of time saving time and resources. Diffusion coefficients of the eight antioxidants from PLA films were between 0.2 and 19×10 -14 m 2 /s at ~40°C. The use of parameter estimation approach provided additional and useful insights about the migration of antioxidants from PLA films. Copyright © 2017 Elsevier Ltd. All rights reserved.

Calculation of mass discharge of the Greenland ice sheet in the Earth System Model

Directory of Open Access Journals (Sweden)

O. O. Rybak

2016-01-01

Full Text Available Mass discharge calculation is a challenging task for the ice sheet modeling aimed at evaluation of their contribution to the global sea level rise during past interglacials, as well as one of the consequences of future climate change. In Greenland, ablation is the major source of fresh water runoff. It is approximately equal to the dynamical discharge (iceberg calving. Its share might have still larger during the past interglacials when the margins of the GrIS retreated inland. Refreezing of the melted water and its retention are two poorly known processes playing as a counterpart of melting and, thus, exerting influence on the run off. Interaction of ice sheets and climate is driven by energy and mass exchange processes and is complicated by numerous feed-backs. To study the complex of these processes, coupling of an ice sheet model and a climate model (i.e. models of the atmosphere and the ocean in one model is required, which is often called the Earth System Model (ESM. Formalization of processes of interaction between the ice sheets and climate within the ESM requires elaboration of special techniques to deal with dramatic differences in spatial and temporal variability scales within each of three ESM’s blocks. In this paper, we focus on the method of coupling of a Greenland ice sheet model (GrISM with the climate model INMCM having been developed in the Institute of Numerical Mathematics of Russian Academy of Sciences. Our coupling approach consists in applying of a special buffer model, which serves as an interface between GrISM and INMCM. A simple energy and water exchange model (EWBM-G allows realistic description of surface air temperature and precipitation fields adjusted to a relief of elevation of the GrIS surface. In a series of diagnostic numerical experiments with the present-day GrIS geometry and the modeled climate we studied sensitivity of the modeled surface mass balance and run off to the key EWBM-G parameters and compared

Why a New Code for Novae Evolution and Mass Transfer in Binaries?

Directory of Open Access Journals (Sweden)

G. Shaviv

2015-02-01

Full Text Available One of the most interesting problems in Cataclysmic Variables is the long time scale evolution. This problem appears in long time evolution, which is also very important in the search for the progenitor of SN Ia. The classical approach to overcome this problem in the simulation of novae evolution is to assume: (1 A constant in time, rate of mass transfer. (2 The mass transfer rate that does not vary throughout the life time of the nova, even when many eruptions are considered. Here we show that these assumptions are valid only for a single thermonuclear flash and such a calculation cannot be the basis for extrapolation of the behavior over many flashes. In particular, such calculation cannot be used to predict under what conditions an accreting WD may reach the Chandrasekhar mass and collapse. We report on a new code to attack this problem. The basic idea is to create two parallel processes, one calculating the mass losing star and the other the accreting white dwarf. The two processes communicate continuously with each other and follow the time depended mass loss.

On the stress calculation within phase-field approaches: a model for finite deformations

Science.gov (United States)

Schneider, Daniel; Schwab, Felix; Schoof, Ephraim; Reiter, Andreas; Herrmann, Christoph; Selzer, Michael; Böhlke, Thomas; Nestler, Britta

2017-08-01

Numerical simulations based on phase-field methods are indispensable in order to investigate interesting and important phenomena in the evolution of microstructures. Microscopic phase transitions are highly affected by mechanical driving forces and therefore the accurate calculation of the stresses in the transition region is essential. We present a method for stress calculations within the phase-field framework, which satisfies the mechanical jump conditions corresponding to sharp interfaces, although the sharp interface is represented as a volumetric region using the phase-field approach. This model is formulated for finite deformations, is independent of constitutive laws, and allows using any type of phase inherent inelastic strains.

Hanford Site Composite Analysis Technical Approach Description: Groundwater Pathway Dose Calculation.

Energy Technology Data Exchange (ETDEWEB)

Morgans, D. L. [CH2M Hill Plateau Remediation Company, Richland, WA (United States); Lindberg, S. L. [Intera Inc., Austin, TX (United States)

2017-09-20

The purpose of this technical approach document (TAD) is to document the assumptions, equations, and methods used to perform the groundwater pathway radiological dose calculations for the revised Hanford Site Composite Analysis (CA). DOE M 435.1-1, states, “The composite analysis results shall be used for planning, radiation protection activities, and future use commitments to minimize the likelihood that current low-level waste disposal activities will result in the need for future corrective or remedial actions to adequately protect the public and the environment.”

Eruption mass estimation using infrasound waveform inversion and ash and gas measurements: Evaluation at Sakurajima Volcano, Japan [Comparison of eruption masses at Sakurajima Volcano, Japan calculated by infrasound waveform inversion and ground-based sampling

International Nuclear Information System (INIS)

Fee, David; Izbekov, Pavel; Kim, Keehoon; Yokoo, Akihiko; Lopez, Taryn

2017-01-01

Eruption mass and mass flow rate are critical parameters for determining the aerial extent and hazard of volcanic emissions. Infrasound waveform inversion is a promising technique to quantify volcanic emissions. Although topography may substantially alter the infrasound waveform as it propagates, advances in wave propagation modeling and station coverage permit robust inversion of infrasound data from volcanic explosions. The inversion can estimate eruption mass flow rate and total eruption mass if the flow density is known. However, infrasound-based eruption flow rates and mass estimates have yet to be validated against independent measurements, and numerical modeling has only recently been applied to the inversion technique. Furthermore we present a robust full-waveform acoustic inversion method, and use it to calculate eruption flow rates and masses from 49 explosions from Sakurajima Volcano, Japan.

Aerodynamics, heat and mass transfer in steam-aerosol turbulent flows in containment

Energy Technology Data Exchange (ETDEWEB)

Nigmatulin, B.I.; Pershukov, V.A.; Ris, V.V. [Research & Engineering Centre of Nuclear Plants Safety, Moscow (Russian Federation)] [and others

1995-09-01

In this report an analysis of aerodynamic and heat transfer processes at the blowdown of gas-dispersed mixture into the containment volume is presented. A few models for description of the volume averaged and local characteristics are analyzed. The mathematical model for description of the local characteristics of the turbulent gas-dispersed flows was developed. The calculation of aerodynamic, heat and mass transfer characteristics was based on the Navier-Stokes, energy and gas mass fractions conservation equations. For calculation of dynamics and deposition of the aerosols the original diffusion-inertia model is developed. The pulsating characteristics of the gaseous phase were calculated on the base (k-{xi}) model of turbulence with modification to account thermogravitational force action and influence of particle mass loading. The appropriate boundary conditions using the {open_quotes}near-wall function{close_quotes} approach was obtained. Testing of the mathematical models and boundary conditions has shown a good agreement between computation and data of comparison. The described mathematical models were applied to two- and three dimensional calculations of the turbulent flow in containment at the various stages of the accident.

The development of an efficient mass balance approach for the purity assignment of organic calibration standards.

Science.gov (United States)

Davies, Stephen R; Alamgir, Mahiuddin; Chan, Benjamin K H; Dang, Thao; Jones, Kai; Krishnaswami, Maya; Luo, Yawen; Mitchell, Peter S R; Moawad, Michael; Swan, Hilton; Tarrant, Greg J

2015-10-01

The purity determination of organic calibration standards using the traditional mass balance approach is described. Demonstrated examples highlight the potential for bias in each measurement and the need to implement an approach that provides a cross-check for each result, affording fit for purpose purity values in a timely and cost-effective manner. Chromatographic techniques such as gas chromatography with flame ionisation detection (GC-FID) and high-performance liquid chromatography with UV detection (HPLC-UV), combined with mass and NMR spectroscopy, provide a detailed impurity profile allowing an efficient conversion of chromatographic peak areas into relative mass fractions, generally avoiding the need to calibrate each impurity present. For samples analysed by GC-FID, a conservative measurement uncertainty budget is described, including a component to cover potential variations in the response of each unidentified impurity. An alternative approach is also detailed in which extensive purification eliminates the detector response factor issue, facilitating the certification of a super-pure calibration standard which can be used to quantify the main component in less-pure candidate materials. This latter approach is particularly useful when applying HPLC analysis with UV detection. Key to the success of this approach is the application of both qualitative and quantitative (1)H NMR spectroscopy.

ELSA: A simplified code for fission product release calculations

International Nuclear Information System (INIS)

Manenc, H.; Notley, M.J.

1996-01-01

During a light water reactor severe accident, fission products are released from the overheated core as it progressively degrades. A new computer module named ELSA is being developed to calculate fission product release. The authors approach is to model the key phenomena, as opposed to more complete mechanistic approaches. Here they present the main features of the module. Different release mechanisms have been identified and are modeled in ELSA, depending on fission product volatility: diffusion seems to govern the release of the highly volatile species if fuel oxidation is properly accounted for, whereas mass transport governs that of lower volatility fission products and fuel volatilization that of the practically involatile species

An enhanced nonlinear damping approach accounting for system constraints in active mass dampers

Science.gov (United States)

Venanzi, Ilaria; Ierimonti, Laura; Ubertini, Filippo

2015-11-01

Active mass dampers are a viable solution for mitigating wind-induced vibrations in high-rise buildings and improve occupants' comfort. Such devices suffer particularly when they reach force saturation of the actuators and maximum extension of their stroke, which may occur in case of severe loading conditions (e.g. wind gust and earthquake). Exceeding actuators' physical limits can impair the control performance of the system or even lead to devices damage, with consequent need for repair or substitution of part of the control system. Controllers for active mass dampers should account for their technological limits. Prior work of the authors was devoted to stroke issues and led to the definition of a nonlinear damping approach, very easy to implement in practice. It consisted of a modified skyhook algorithm complemented with a nonlinear braking force to reverse the direction of the mass before reaching the stroke limit. This paper presents an enhanced version of this approach, also accounting for force saturation of the actuator and keeping the simplicity of implementation. This is achieved by modulating the control force by a nonlinear smooth function depending on the ratio between actuator's force and saturation limit. Results of a numerical investigation show that the proposed approach provides similar results to the method of the State Dependent Riccati Equation, a well-established technique for designing optimal controllers for constrained systems, yet very difficult to apply in practice.

PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association

Energy Technology Data Exchange (ETDEWEB)

Ma, Jian; Casey, Cameron P.; Zheng, Xueyun; Ibrahim, Yehia M.; Wilkins, Christopher S.; Renslow, Ryan S.; Thomas, Dennis G.; Payne, Samuel H.; Monroe, Matthew E.; Smith, Richard D.; Teeguarden, Justin G.; Baker, Erin S.; Metz, Thomas O.

2017-05-15

Motivation: Drift tube ion mobility spectrometry (DTIMS) is increasingly implemented in high throughput omics workflows, and new informatics approaches are necessary for processing the associated data. To automatically extract arrival times for molecules measured by DTIMS coupled with mass spectrometry and compute their associated collisional cross sections (CCS) we created the PNNL Ion Mobility Cross Section Extractor (PIXiE). The primary application presented for this algorithm is the extraction of information necessary to create a reference library containing accu-rate masses, DTIMS arrival times and CCSs for use in high throughput omics analyses. Results: We demonstrate the utility of this approach by automatically extracting arrival times and calculating the associated CCSs for a set of endogenous metabolites and xenobiotics. The PIXiE-generated CCS values were identical to those calculated by hand and within error of those calcu-lated using commercially available instrument vendor software.

Calculation of the stationary mass velocity of steam mixtures and of the recoil forces occurring

International Nuclear Information System (INIS)

Pana, P.

1976-11-01

The best known theories for steam flow (e.g. after pipe rupture within the primary coolant loop of a nuclear power plant) are deeply discussed, the theory of the modified-Bernoulli-equation for the subcooled region, the Moody theory and the homogenious euquilibrium theory for the steam-water region, and the theory of the perfect gas for the superheated region. The calculated mass velocity and thrust coefficient is shown for the whole h-s chart, including various initial pressures and Zeta values as parameter. The comparison of the results leads to important conclusions, concerning conservatism and appropreateness of the considered theories, for friction and frictionless flow. (orig./HP) [de

Comparative Analysis of Mass Spectral Similarity Measures on Peak Alignment for Comprehensive Two-Dimensional Gas Chromatography Mass Spectrometry

Science.gov (United States)

2013-01-01

Peak alignment is a critical procedure in mass spectrometry-based biomarker discovery in metabolomics. One of peak alignment approaches to comprehensive two-dimensional gas chromatography mass spectrometry (GC×GC-MS) data is peak matching-based alignment. A key to the peak matching-based alignment is the calculation of mass spectral similarity scores. Various mass spectral similarity measures have been developed mainly for compound identification, but the effect of these spectral similarity measures on the performance of peak matching-based alignment still remains unknown. Therefore, we selected five mass spectral similarity measures, cosine correlation, Pearson's correlation, Spearman's correlation, partial correlation, and part correlation, and examined their effects on peak alignment using two sets of experimental GC×GC-MS data. The results show that the spectral similarity measure does not affect the alignment accuracy significantly in analysis of data from less complex samples, while the partial correlation performs much better than other spectral similarity measures when analyzing experimental data acquired from complex biological samples. PMID:24151524

The Cepheid mass discrepancy and pulsation-driven mass loss

NARCIS (Netherlands)

Neilson, H.R.; Cantiello, M.; Langer, N.

2011-01-01

Context. A longstanding challenge for understanding classical Cepheids is the Cepheid mass discrepancy, where theoretical mass estimates using stellar evolution and stellar pulsation calculations have been found to differ by approximately 10−20%. Aims. We study the role of pulsation-driven mass loss

The anatomy of the simplest Duflo-Zuker mass formula

International Nuclear Information System (INIS)

Mendoza-Temis, Joel; Hirsch, Jorge G.; Zuker, Andres P.

2010-01-01

The simplest version of the Duflo-Zuker mass model (due entirely to the late Jean Duflo) is described by following step by step the published computer code. The model contains six macroscopic monopole terms leading asymptotically to a Liquid Drop form, three microscopic terms supposed to mock configuration mixing (multipole) corrections to the monopole shell effects, and one term in charge of detecting deformed nuclei and calculating their masses. A careful analysis of the model suggests a program of future developments that includes a complementary approach to masses based on an independently determined monopole Hamiltonian, a better description of deformations and specific suggestions for the treatment of three body forces.

Calculational approach to ionization spectrometer design

International Nuclear Information System (INIS)

Gabriel, T.A.

1974-01-01

Many factors contribute to the design and overall performance of an ionization spectrometer. These factors include the conditions under which the spectrometer is to be used, the required performance, the development of the hadronic and electromagnetic cascades, leakage and binding energies, saturation effects of densely ionizing particles, nonuniform light collection, sampling fluctuations, etc. The calculational procedures developed at Oak Ridge National Laboratory that have been applied to many spectrometer designs and that include many of the influencing factors in spectrometer design are discussed. The incident-particle types which can be considered with some generality are protons, neutrons, pions, muons, electrons, positrons, and gamma rays. Charged kaons can also be considered but with less generality. The incident-particle energy range can extend into the hundreds of GeV range. The calculations have been verified by comparison with experimental data but only up to approximately 30 GeV. Some comparisons with experimental data are also discussed and presented so that the flexibility of the calculational methods can be demonstrated. (U.S.)

Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

Science.gov (United States)

Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

2018-03-01

The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

Search for asymmetric rotors in mass region A∼100

International Nuclear Information System (INIS)

Bihari, Chhail; Singh, Yuvraj; Varshney, A.K.; Singh, M.; Gupta, K.K.; Gupta, D.K.

2009-01-01

Recently in mass region a∼120-140 xenon and barium nuclei have been studied and the energy systematics have been drawn with excellent correlations in mass coefficient and rotation vibration interaction parameter with product of valance nucleons NpNn using three mass coefficients one each for yrast, odd and even γ-bands within the framework of general asymmetric rotor model. Interestingly in the mass region A ∼ 100 ruthenium nuclei have been dealt using similar approach but only one mass coefficient (B γ = B rot ) was found sufficient to reproduce the striking correlations among various parameters. The purpose of the present work is to study whether one mass coefficient works well in describing the inter band transitions in other nuclei in mass region a ∼ 100. We consider Mo, Ru and Pd nuclei and calculate the B(E2) values using asymmetric rotor model

Perturbative effect of heavy particles in an effective-Lagrangian approach

International Nuclear Information System (INIS)

Hagiwara, T.; Nakazawa, N.

1981-01-01

An effective-Lagrangian approach is summarized to estimate the perturbative effect of heavy-mass particles in the leading-logarithmic approximation: the logarithmic corrections to mass-suppressed amplitudes are given in a concise form. We apply the formalism to a simplified model with two scalar fields where one is heavy and the other is light. We derive an effective Lagrangian by calculating heavy-particle one-loop diagrams. Solving renormalization-group equations derived from the effective Lagrangian by light-particle one-loop corrections, we obtain logarithmic corrections to the mass-suppressed amplitudes. The results are confirmed by explicit two-loop calculation in the full theory, up to order O((1/M 2 )1nM 2 ), where M is a heavy scalar mass. It is found that the boundary condition for solving the renormalization-group equations must be specified by the renormalization at the heavy-particle mass. It must also be emphasized that in an effective-Lagrangian approach minimal subtraction is not a proper method of renormalization. The necessity to adopt the conventional momentum-shell subtraction is stressed. Several applications of this formalism are also mentioned

Calculational methods used to obtain evaluated data above 3 MeV

International Nuclear Information System (INIS)

Arthur, E.D.

1980-01-01

Calculational methods used to provide evaluated neutron data for nuclei between A = 19 and 220 at incident energies above several MeV range from empirical techniques based on cross-section systematics to sophisticated nuclear-model codes that describe the major mechanisms governing neutron reactions in this mass and energy range. Examples of empirical approaches are given along with discussion concerning regions of applicability and accuracies that can be expected. The application of more sophisticated nuclear models (Hauser-Feshbach statistical, preequilibrium, and direct-reaction theories) is discussed, particularly with regard to improved parameter determinations that can be used in such calculations. Efforts to improve the consistency and to unify these theoretical approaches are addressed along with benefits to evaluated data that can be realized through careful application of such nuclear-model techniques. 76 references, 13 figures, 3 tables

A Clifford algebra approach to chiral symmetry breaking and fermion mass hierarchies

Science.gov (United States)

Lu, Wei

2017-09-01

We propose a Clifford algebra approach to chiral symmetry breaking and fermion mass hierarchies in the context of composite Higgs bosons. Standard model fermions are represented by algebraic spinors of six-dimensional binary Clifford algebra, while ternary Clifford algebra-related flavor projection operators control allowable flavor-mixing interactions. There are three composite electroweak Higgs bosons resulted from top quark, tau neutrino, and tau lepton condensations. Each of the three condensations gives rise to masses of four different fermions. The fermion mass hierarchies within these three groups are determined by four-fermion condensations, which break two global chiral symmetries. The four-fermion condensations induce axion-like pseudo-Nambu-Goldstone bosons and can be dark matter candidates. In addition to the 125 GeV Higgs boson observed at the Large Hadron Collider, we anticipate detection of tau neutrino composite Higgs boson via the charm quark decay channel.

Increasing nursing students' understanding and accuracy with medical dose calculations: A collaborative approach.

Science.gov (United States)

Mackie, Jane E; Bruce, Catherine D

2016-05-01

Accurate calculation of medication dosages can be challenging for nursing students. Specific interventions related to types of errors made by nursing students may improve the learning of this important skill. The objective of this study was to determine areas of challenge for students in performing medication dosage calculations in order to design interventions to improve this skill. Strengths and weaknesses in the teaching and learning of medication dosage calculations were assessed. These data were used to create online interventions which were then measured for the impact on student ability to perform medication dosage calculations. The setting of the study is one university in Canada. The qualitative research participants were 8 nursing students from years 1-3 and 8 faculty members. Quantitative results are based on test data from the same second year clinical course during the academic years 2012 and 2013. Students and faculty participated in one-to-one interviews; responses were recorded and coded for themes. Tests were implemented and scored, then data were assessed to classify the types and number of errors. Students identified conceptual understanding deficits, anxiety, low self-efficacy, and numeracy skills as primary challenges in medication dosage calculations. Faculty identified long division as a particular content challenge, and a lack of online resources for students to practice calculations. Lessons and online resources designed as an intervention to target mathematical and concepts and skills led to improved results and increases in overall pass rates for second year students for medication dosage calculation tests. This study suggests that with concerted effort and a multi-modal approach to supporting nursing students, their abilities to calculate dosages can be improved. The positive results in this study also point to the promise of cross-discipline collaborations between nursing and education. Copyright © 2016 Elsevier Ltd. All rights

Dynamics calculation with variable mass of mountain self-propelled chassis

Directory of Open Access Journals (Sweden)

R.M. Makharoblidze

2016-12-01

Full Text Available Many technological processes in the field of agricultural production mechanization, such as a grain crop, planting root-tuber fruits, fertilizing, spraying and dusting, pressing feed materials, harvesting of various cultures, etc. are performed by the machine-tractor units with variable mass of links or processed media and materials. In recent years, are also developing the systems of automatic control, adjusting and control of technological processes and working members in agriculture production. Is studied the dynamics of transition processes of mountain self-propelled chassis with variable mass at real change disconnect or joining masses that is most often used in the function of movement (m(t = ctm(t = ct. Are derived the formulas of change of velocity of movement on displacement of unit and is defined the dependence of this velocity on the tractor and technological machine performance, with taking into account the gradual increase or removing of agricultural materials masses. According to the equation is possible to define a linear movement of machine-tractor unit. According to the obtained expressions we can define the basic operating parameters of machine-tractor unit with variable mass. The results of research would be applied at definition of characteristics of units, at development of new agricultural tractors.

Calculation of mass flow and steam quality distribution on fuel elements of light-water cooled boiling water nuclear reactors

International Nuclear Information System (INIS)

Hermanns, H.J.

1977-04-01

By the example of light-water cooled nuclear reactors, the state of the calculation methods at disposal for calculating mass flow and steam quality distribution (sub-channel analysis) is indicated. Particular regard was paid to the transport phenomena occurring in reactor fuel elements in the range of two phase flow. Experimentally determined values were compared with recalculations of these experiments with the sub-channel code COBRA; from the results of these comparing calculations, conclusions could be drawn on the suitability of this code for defined applications. Limits of reliability could be determined to some extent. Based on the experience gained and the study of individual physical model concepts, recognized as being important, a sub-channel model was drawn up and the corresponding numerical computer code (SIEWAS) worked out. Experiments made at GE could be reproduced with the code SIEWAS with sufficient accuracy. (orig.) [de

Lattice Hamiltonian approach to the massless Schwinger model. Precise extraction of the mass gap

International Nuclear Information System (INIS)

Cichy, Krzysztof; Poznan Univ.; Kujawa-Cichy, Agnieszka; Szyniszewski, Marcin; Manchester Univ.

2012-12-01

We present results of applying the Hamiltonian approach to the massless Schwinger model. A finite basis is constructed using the strong coupling expansion to a very high order. Using exact diagonalization, the continuum limit can be reliably approached. This allows to reproduce the analytical results for the ground state energy, as well as the vector and scalar mass gaps to an outstanding precision better than 10 -6 %.

Positron effective mass in silicon

International Nuclear Information System (INIS)

Panda, B.K.; Shan, Y.Y.; Fung, S.; Beling, C.D.

1995-01-01

The positron effective mass in Si is obtained from the first-principles calculations along various crystallographic directions. The effect of electron-positron correlation on the band mass is examined in this work. A positron pseudopotential scheme is worked out to calculate the isotropic band mass without explicitly solving the band energy. The effective mass 1.46m obtained as a sum of band mass and the positron-plasmon interaction compares very well with 1.5m obtained from the positron mobility data

The (water + acetonitrile) mixture revisited: A new approach for calculating partial molar volumes

International Nuclear Information System (INIS)

Carmen Grande, Maria del; Julia, Jorge Alvarez; Barrero, Carmen R.; Marschoff, Carlos M.; Bianchi, Hugo L.

2006-01-01

Density and viscosity of (water + acetonitrile) mixtures were measured over the whole composition range at the temperatures: (298.15, 303.15, 308.15, 313.15, and 318.15) K. A new mathematical approach was developed which allows the calculation of the derivatives of density with respect to composition avoiding the appearance of local discontinuities. Thus, reliable partial molar volumes and thermal expansion coefficients were obtained

A novel approach to calculate inductance and analyze magnetic flux density of helical toroidal coil applicable to Superconducting Magnetic Energy Storage systems (SMES)

International Nuclear Information System (INIS)

Alizadeh Pahlavani, M.R.; Shoulaie, A.

2010-01-01

In this paper, formulas are proposed for the self and mutual inductance calculations of the helical toroidal coil (HTC) by the direct and indirect methods at superconductivity conditions. The direct method is based on the Neumann's equation and the indirect approach is based on the toroidal and the poloidal components of the magnetic flux density. Numerical calculations show that the direct method is more accurate than the indirect approach at the expense of its longer computational time. Implementation of some engineering assumptions in the indirect method is shown to reduce the computational time without loss of accuracy. Comparison between the experimental measurements and simulated results for inductance, using the direct and the indirect methods indicates that the proposed formulas have high reliability. It is also shown that the self inductance and the mutual inductance could be calculated in the same way, provided that the radius of curvature is >0.4 of the minor radius, and that the definition of the geometric mean radius in the superconductivity conditions is used. Plotting contours for the magnetic flux density and the inductance show that the inductance formulas of helical toroidal coil could be used as the basis for coil optimal design. Optimization target functions such as maximization of the ratio of stored magnetic energy with respect to the volume of the toroid or the conductor's mass, the elimination or the balance of stress in some coordinate directions, and the attenuation of leakage flux could be considered. The finite element (FE) approach is employed to present an algorithm to study the three-dimensional leakage flux distribution pattern of the coil and to draw the magnetic flux density lines of the HTC. The presented algorithm, due to its simplicity in analysis and ease of implementation of the non-symmetrical and three-dimensional objects, is advantageous to the commercial software such as ANSYS, MAXWELL, and FLUX. Finally, using the

Atomic mass prediction from the mass formula with empirical shell terms

International Nuclear Information System (INIS)

Uno, Masahiro; Yamada, Masami

1982-08-01

The mass-excess prediction of about 8000 nuclides was calculated from two types of the atomic mass formulas with empirical shell terms of Uno and Yamada. The theoretical errors to accompany the calculated mass excess are also presented. These errors have been obtained by a new statistical method. The mass-excess prediction includes the term of the gross feature of a nuclear mass surface, the shell terms and a small correction term for odd-odd nuclei. Two functional forms for the shell terms were used. The first is the constant form, and the sencond is the linear form. In determining the values of shell parameters, only the data of even-even and odd-A nuclei were used. A new statistical method was applied, in which the error inherent to the mass formula was taken account. The obtained shell parameters and the values of mass excess are shown in tables. (Kato, T.)

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

International Nuclear Information System (INIS)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-01-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Science.gov (United States)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-12-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized "particle in a box" problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Energy Technology Data Exchange (ETDEWEB)

Li, Hao [Department of Chemistry, University of Houston, Houston, TX 77204 (United States); Wu, Chao [Electronic Structure Lab, Center of Microscopic Theory and Simulation, Frontier Institute of Science and Technology, Xian Jiaotong University, Xian 710054 (China); Malinin, Sergey V. [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chernyak, Vladimir Y., E-mail: chernyak@chem.wayne.edu [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States)

2016-12-20

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Coupling-matrix approach to the Chern number calculation in disordered systems

International Nuclear Information System (INIS)

Zhang Yi-Fu; Ju Yan; Sheng Li; Shen Rui; Xing Ding-Yu; Yang Yun-You; Sheng Dong-Ning

2013-01-01

The Chern number is often used to distinguish different topological phases of matter in two-dimensional electron systems. A fast and efficient coupling-matrix method is designed to calculate the Chern number in finite crystalline and disordered systems. To show its effectiveness, we apply the approach to the Haldane model and the lattice Hofstadter model, and obtain the correct quantized Chern numbers. The disorder-induced topological phase transition is well reproduced, when the disorder strength is increased beyond the critical value. We expect the method to be widely applicable to the study of topological quantum numbers. (rapid communication)

An algorithm to correct saturated mass spectrometry ion abundances for enhanced quantitation and mass accuracy in omic studies

Energy Technology Data Exchange (ETDEWEB)

Bilbao, Aivett; Gibbons, Bryson C.; Slysz, Gordon W.; Crowell, Kevin L.; Monroe, Matthew E.; Ibrahim, Yehia M.; Smith, Richard D.; Payne, Samuel H.; Baker, Erin S.

2018-04-01

The mass accuracy and peak intensity of ions detected by mass spectrometry (MS) measurements are essential to facilitate compound identification and quantitation. However, high concentration species can easily cause problems if their ion intensities reach beyond the limits of the detection system, leading to distorted and non-ideal detector response (e.g. saturation), and largely precluding the calculation of accurate m/z and intensity values. Here we present an open source computational method to correct peaks above a defined intensity (saturated) threshold determined by the MS instrumentation such as the analog-to-digital converters or time-to-digital converters used in conjunction with time-of-flight MS. In this method, the isotopic envelope for each observed ion above the saturation threshold is compared to its expected theoretical isotopic distribution. The most intense isotopic peak for which saturation does not occur is then utilized to re-calculate the precursor m/z and correct the intensity, resulting in both higher mass accuracy and greater dynamic range. The benefits of this approach were evaluated with proteomic and lipidomic datasets of varying complexities. After correcting the high concentration species, reduced mass errors and enhanced dynamic range were observed for both simple and complex omic samples. Specifically, the mass error dropped by more than 50% in most cases with highly saturated species and dynamic range increased by 1-2 orders of magnitude for peptides in a blood serum sample.

Mass of AC Andromedae

International Nuclear Information System (INIS)

King, D.S.; Cox, A.N.; Hodson, S.W.

1975-01-01

Calculations indicate that AC Andromedae is population I rather than population II. A mass and radius for this star are calculated using a new set of opacities for the Kippenhahn Ia mixture. It is concluded that the mass is too high for an ordinary RR Lyrae star. (BJG)

Quantification of intrusive/retraction force and moment generated during en-masse retraction of maxillary anterior teeth using mini-implants: A conceptual approach

Directory of Open Access Journals (Sweden)

A. Sumathi Felicita

Full Text Available ABSTRACT Objective: The aim of the present study was to clarify the biomechanics of en-masse retraction of the upper anterior teeth and attempt to quantify the different forces and moments generated using mini-implants and to calculate the amount of applied force optimal for en-masse intrusion and retraction using mini-implants. Methods: The optimum force required for en-masse intrusion and retraction can be calculated by using simple mathematical formulae. Depending on the position of the mini-implant and the relationship of the attachment to the center of resistance of the anterior segment, different clinical outcomes are encountered. Using certain mathematical formulae, accurate measurements of the magnitude of force and moment generated on the teeth can be calculated for each clinical outcome. Results: Optimum force for en-masse intrusion and retraction of maxillary anterior teeth is 212 grams per side. Force applied at an angle of 5o to 16o from the occlusal plane produce intrusive and retraction force components that are within the physiologic limit. Conclusion: Different clinical outcomes are encountered depending on the position of the mini-implant and the length of the attachment. It is possible to calculate the forces and moments generated for any given magnitude of applied force. The orthodontist can apply the basic biomechanical principles mentioned in this study to calculate the forces and moments for different hypothetical clinical scenarios.

Alternate approach for calculating hardness based on residual indentation depth: Comparison with experiments

Science.gov (United States)

Ananthakrishna, G.; K, Srikanth

2018-03-01

It is well known that plastic deformation is a highly nonlinear dissipative irreversible phenomenon of considerable complexity. As a consequence, little progress has been made in modeling some well-known size-dependent properties of plastic deformation, for instance, calculating hardness as a function of indentation depth independently. Here, we devise a method of calculating hardness by calculating the residual indentation depth and then calculate the hardness as the ratio of the load to the residual imprint area. Recognizing the fact that dislocations are the basic defects controlling the plastic component of the indentation depth, we set up a system of coupled nonlinear time evolution equations for the mobile, forest, and geometrically necessary dislocation densities. Within our approach, we consider the geometrically necessary dislocations to be immobile since they contribute to additional hardness. The model includes dislocation multiplication, storage, and recovery mechanisms. The growth of the geometrically necessary dislocation density is controlled by the number of loops that can be activated under the contact area and the mean strain gradient. The equations are then coupled to the load rate equation. Our approach has the ability to adopt experimental parameters such as the indentation rates, the geometrical parameters defining the Berkovich indenter, including the nominal tip radius. The residual indentation depth is obtained by integrating the Orowan expression for the plastic strain rate, which is then used to calculate the hardness. Consistent with the experimental observations, the increasing hardness with decreasing indentation depth in our model arises from limited dislocation sources at small indentation depths and therefore avoids divergence in the limit of small depths reported in the Nix-Gao model. We demonstrate that for a range of parameter values that physically represent different materials, the model predicts the three characteristic

Classification of mass matrices and the calculability of the Cabibbo angle

International Nuclear Information System (INIS)

Rizzo, T.G.

1981-01-01

We have analyzed all possible 2 x 2 mass matrices with two nonzero elements in an attempt to find which matrices yield a reasonable value of the Cabibbo angle upon diagonalization. We do not concern ourselves with the origin of these mass matrices (spontaneous symmetry breaking, bare-mass term, etc.). We find that, in the limit m/sub u//m/sub c/→0, only four possible relationships exist between sin 2 theta/sub C/ and the quark mass ratio m/sub d//m/sub s/, only one of which is reasonable for the usual value of m/sub d//m/sub s/ (approx.1/20). This limits the possible forms of the quark mass matrix to be two in number, both of which have been discussed previously in the literature

Calculation of zero-norm states and reduction od stringy scattering amplitudes

International Nuclear Information System (INIS)

Lee Jen-Chi

2005-01-01

We give a simplified method to generate two types of zero-norm states in the old covariant first quantized (OCFQ) spectrum of open bosonic string. Zero-norm states up to the fourth massive level and general formulas of some zero-norm tensor states at arbitrary mass levels are calculated. On-shell Ward identities generated by zero-norm states and the factor-ization property of stringy vertex operators can then be used to argue that the string-tree scattering amplitudes of the degenerate lower spin propagating states are fixed by those of higher spin propagating states at each fixed mass level. This decoupling phenomenon is, in contrast to Gross's high-energy symmetries, valid to all energies. As examples, we explicitly demonstrate this stringy phenomenon up to fourth massive level (spin-five), which justifies the calculation of two other previous approaches based on the massive worldsheet sigma-model and Witten's string field theory (WSFT). (author)

Forensic analysis of explosions: Inverse calculation of the charge mass

NARCIS (Netherlands)

Voort, M.M. van der; Wees, R.M.M. van; Brouwer, S.D.; Jagt-Deutekom, M.J. van der; Verreault, J.

2015-01-01

Forensic analysis of explosions consists of determining the point of origin, the explosive substance involved, and the charge mass. Within the EU fP7 project Hyperion, TNO developed the Inverse Explosion Analysis (TNO-IEA) tool to estïmate the charge mass and point of origin based on observed damage

Protonation Sites, Tandem Mass Spectrometry and Computational Calculations of o-Carbonyl Carbazolequinone Derivatives.

Science.gov (United States)

Martínez-Cifuentes, Maximiliano; Clavijo-Allancan, Graciela; Zuñiga-Hormazabal, Pamela; Aranda, Braulio; Barriga, Andrés; Weiss-López, Boris; Araya-Maturana, Ramiro

2016-07-05

A series of a new type of tetracyclic carbazolequinones incorporating a carbonyl group at the ortho position relative to the quinone moiety was synthesized and analyzed by tandem electrospray ionization mass spectrometry (ESI/MS-MS), using Collision-Induced Dissociation (CID) to dissociate the protonated species. Theoretical parameters such as molecular electrostatic potential (MEP), local Fukui functions and local Parr function for electrophilic attack as well as proton affinity (PA) and gas phase basicity (GB), were used to explain the preferred protonation sites. Transition states of some main fragmentation routes were obtained and the energies calculated at density functional theory (DFT) B3LYP level were compared with the obtained by ab initio quadratic configuration interaction with single and double excitation (QCISD). The results are in accordance with the observed distribution of ions. The nature of the substituents in the aromatic ring has a notable impact on the fragmentation routes of the molecules.

Lattice Hamiltonian approach to the massless Schwinger model. Precise extraction of the mass gap

Energy Technology Data Exchange (ETDEWEB)

Cichy, Krzysztof [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Poznan Univ. (Poland). Faculty of Physics; Kujawa-Cichy, Agnieszka [Poznan Univ. (Poland). Faculty of Physics; Szyniszewski, Marcin [Poznan Univ. (Poland). Faculty of Physics; Manchester Univ. (United Kingdom). NOWNano DTC

2012-12-15

We present results of applying the Hamiltonian approach to the massless Schwinger model. A finite basis is constructed using the strong coupling expansion to a very high order. Using exact diagonalization, the continuum limit can be reliably approached. This allows to reproduce the analytical results for the ground state energy, as well as the vector and scalar mass gaps to an outstanding precision better than 10{sup -6} %.

A data base approach for prediction of deforestation-induced mass wasting events

Science.gov (United States)

Logan, T. L.

1981-01-01

A major topic of concern in timber management is determining the impact of clear-cutting on slope stability. Deforestation treatments on steep mountain slopes have often resulted in a high frequency of major mass wasting events. The Geographic Information System (GIS) is a potentially useful tool for predicting the location of mass wasting sites. With a raster-based GIS, digitally encoded maps of slide hazard parameters can be overlayed and modeled to produce new maps depicting high probability slide areas. The present investigation has the objective to examine the raster-based information system as a tool for predicting the location of the clear-cut mountain slopes which are most likely to experience shallow soil debris avalanches. A literature overview is conducted, taking into account vegetation, roads, precipitation, soil type, slope-angle and aspect, and models predicting mass soil movements. Attention is given to a data base approach and aspects of slide prediction.

A review of Higgs mass calculations in supersymmetric models

DEFF Research Database (Denmark)

Draper, P.; Rzehak, H.

2016-01-01

The discovery of the Higgs boson is both a milestone achievement for the Standard Model and an exciting probe of new physics beyond the SM. One of the most important properties of the Higgs is its mass, a number that has proven to be highly constraining for models of new physics, particularly those...... related to the electroweak hierarchy problem. Perhaps the most extensively studied examples are supersymmetric models, which, while capable of producing a 125 GeV Higgs boson with SM-like properties, do so in non-generic parts of their parameter spaces. We review the computation of the Higgs mass...

A finite element approach to self-consistent field theory calculations of multiblock polymers

Energy Technology Data Exchange (ETDEWEB)

Ackerman, David M. [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States); Delaney, Kris; Fredrickson, Glenn H. [Materials Research Laboratory, University of California, Santa Barbara (United States); Ganapathysubramanian, Baskar, E-mail: baskarg@iastate.edu [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States)

2017-02-15

Self-consistent field theory (SCFT) has proven to be a powerful tool for modeling equilibrium microstructures of soft materials, particularly for multiblock polymers. A very successful approach to numerically solving the SCFT set of equations is based on using a spectral approach. While widely successful, this approach has limitations especially in the context of current technologically relevant applications. These limitations include non-trivial approaches for modeling complex geometries, difficulties in extending to non-periodic domains, as well as non-trivial extensions for spatial adaptivity. As a viable alternative to spectral schemes, we develop a finite element formulation of the SCFT paradigm for calculating equilibrium polymer morphologies. We discuss the formulation and address implementation challenges that ensure accuracy and efficiency. We explore higher order chain contour steppers that are efficiently implemented with Richardson Extrapolation. This approach is highly scalable and suitable for systems with arbitrary shapes. We show spatial and temporal convergence and illustrate scaling on up to 2048 cores. Finally, we illustrate confinement effects for selected complex geometries. This has implications for materials design for nanoscale applications where dimensions are such that equilibrium morphologies dramatically differ from the bulk phases.

An overview of a possible approach to calculate rock movements due to earthquakes at Finnish nuclear waste repository sites

International Nuclear Information System (INIS)

LaPointe, P.R.; Cladouhos, T.T.

1999-02-01

The report outlines a possible approach to estimating rock movements due to earthquakes that may diminish canister safety. The method is based upon an approach developed for studying similar problems in Sweden at three generic Swedish sites. In the first part of the report, the problem of rock movements during earthquakes is described. The second section of the report outlines the approach used to estimate rock movements in Sweden, and discusses how the approach could be adapted to evaluating movements at Finnish repositories. This section also discusses data needs and potential problems in applying the approach in Finland. The next section presents some simple earthquake calculations for the four Finnish sites. These simulations use the discrete fracture network model geometric parameters developed by VTT (Technical Research Centre of Finland) for the use in hydrological calculations. The calculations are not meant for performance assessment purposes for reasons discussed in the report, but are designed to show (1) the importance of fracture size, intensity and orientation on induced displacement magnitudes; (2) the need for additional studies with regards to fracture size and intensity; and (3) the need to resolve issues regarding the role of post-glacial faulting, glacial rebound and tectonic processes in present-day and future earthquakes. (orig.)

A survey of existing and proposed classical and quantum approaches to the photon mass

Science.gov (United States)

Spavieri, G.; Quintero, J.; Gillies, G. T.; Rodríguez, M.

2011-02-01

Over the past twenty years, there have been several careful experimental, observational and phenomenological investigations aimed at searching for and establishing ever tighter bounds on the possible mass of the photon. There are many fascinating and paradoxical physical implications that would arise from the presence of even a very small value for it, and thus such searches have always been well motivated in terms of the new physics that would result. We provide a brief overview of the theoretical background and classical motivations for this work and the early tests of the exactness of Coulomb's law that underlie it. We then go on to address the modern situation, in which quantum physics approaches come to attention. Among them we focus especially on the implications that the Aharonov-Bohm and Aharonov-Casher class of effects have on searches for a photon mass. These arise in several different ways and can lead to experiments that might involve the interaction of magnetic dipoles, electric dipoles, or charged particles with suitable potentials. Still other quantum-based approaches employ measurements of the g-factor of the electron. Plausible target sensitivities for limits on the photon mass as sought by the various quantum approaches are in the range of 10-53 to 10-54 g. Possible experimental arrangements for the associated experiments are discussed. We close with an assessment of the state of the art and a prognosis for future work.

A survey of existing and proposed classical and quantum approaches to the photon mass

International Nuclear Information System (INIS)

Spavieri, G.; Quintero, J.; Gillies, G.T.; Rodriguez, M.

2011-01-01

Over the past twenty years, there have been several careful experimental, observational and phenomenological investigations aimed at searching for and establishing ever tighter bounds on the possible mass of the photon. There are many fascinating and paradoxical physical implications that would arise from the presence of even a very small value for it, and thus such searches have always been well motivated in terms of the new physics that would result. We provide a brief overview of the theoretical background and classical motivations for this work and the early tests of the exactness of Coulomb's law that underlie it. We then go on to address the modern situation, in which quantum physics approaches come to attention. Among them we focus especially on the implications that the Aharonov-Bohm and Aharonov-Casher class of effects have on searches for a photon mass. These arise in several different ways and can lead to experiments that might involve the interaction of magnetic dipoles, electric dipoles, or charged particles with suitable potentials. Still other quantum-based approaches employ measurements of the g-factor of the electron. Plausible target sensitivities for limits on the photon mass as sought by the various quantum approaches are in the range of 10 -53 to 10 -54 g. Possible experimental arrangements for the associated experiments are discussed. We close with an assessment of the state of the art and a prognosis for future work. (authors)

Mass Spectrometry Imaging of Biological Tissue: An Approach for Multicenter Studies

Energy Technology Data Exchange (ETDEWEB)

Rompp, Andreas; Both, Jean-Pierre; Brunelle, Alain; Heeren, Ronald M.; Laprevote, Olivier; Prideaux, Brendan; Seyer, Alexandre; Spengler, Bernhard; Stoeckli, Markus; Smith, Donald F.

2015-03-01

Mass spectrometry imaging has become a popular tool for probing the chemical complexity of biological surfaces. This led to the development of a wide range of instrumentation and preparation protocols. It is thus desirable to evaluate and compare the data output from different methodologies and mass spectrometers. Here, we present an approach for the comparison of mass spectrometry imaging data from different laboratories (often referred to as multicenter studies). This is exemplified by the analysis of mouse brain sections in five laboratories in Europe and the USA. The instrumentation includes matrix-assisted laser desorption/ionization (MALDI)-time-of-flight (TOF), MALDI-QTOF, MALDIFourier transform ion cyclotron resonance (FTICR), atmospheric-pressure (AP)-MALDI-Orbitrap, and cluster TOF-secondary ion mass spectrometry (SIMS). Experimental parameters such as measurement speed, imaging bin width, and mass spectrometric parameters are discussed. All datasets were converted to the standard data format imzML and displayed in a common open-source software with identical parameters for visualization, which facilitates direct comparison of MS images. The imzML conversion also allowed exchange of fully functional MS imaging datasets between the different laboratories. The experiments ranged from overview measurements of the full mouse brain to detailed analysis of smaller features (depending on spatial resolution settings), but common histological features such as the corpus callosum were visible in all measurements. High spatial resolution measurements of AP-MALDI-Orbitrap and TOF-SIMS showed comparable structures in the low-micrometer range. We discuss general considerations for planning and performing multicenter studies in mass spectrometry imaging. This includes details on the selection, distribution, and preparation of tissue samples as well as on data handling. Such multicenter studies in combination with ongoing activities for reporting guidelines, a common

Generic model for calculating carbon footprint of milk using four different LCA modelling approaches

DEFF Research Database (Denmark)

Dalgaard, Randi; Schmidt, Jannick Højrup; Flysjö, Anna

2014-01-01

The aim of the study is to develop a tool, which can be used for calculation of carbon footprint (using a life cycle assessment (LCA) approach) of milk both at a farm level and at a national level. The functional unit is ‘1 kg energy corrected milk (ECM) at farm gate’ and the applied methodology...

47 CFR 1.1623 - Probability calculation.

Science.gov (United States)

2010-10-01

... 47 Telecommunication 1 2010-10-01 2010-10-01 false Probability calculation. 1.1623 Section 1.1623 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRACTICE AND PROCEDURE Random Selection Procedures for Mass Media Services General Procedures § 1.1623 Probability calculation. (a) All calculations shall be...

Computational Calorimetry: High-Precision Calculation of Host–Guest Binding Thermodynamics

Science.gov (United States)

2015-01-01

We present a strategy for carrying out high-precision calculations of binding free energy and binding enthalpy values from molecular dynamics simulations with explicit solvent. The approach is used to calculate the thermodynamic profiles for binding of nine small molecule guests to either the cucurbit[7]uril (CB7) or β-cyclodextrin (βCD) host. For these systems, calculations using commodity hardware can yield binding free energy and binding enthalpy values with a precision of ∼0.5 kcal/mol (95% CI) in a matter of days. Crucially, the self-consistency of the approach is established by calculating the binding enthalpy directly, via end point potential energy calculations, and indirectly, via the temperature dependence of the binding free energy, i.e., by the van’t Hoff equation. Excellent agreement between the direct and van’t Hoff methods is demonstrated for both host–guest systems and an ion-pair model system for which particularly well-converged results are attainable. Additionally, we find that hydrogen mass repartitioning allows marked acceleration of the calculations with no discernible cost in precision or accuracy. Finally, we provide guidance for accurately assessing numerical uncertainty of the results in settings where complex correlations in the time series can pose challenges to statistical analysis. The routine nature and high precision of these binding calculations opens the possibility of including measured binding thermodynamics as target data in force field optimization so that simulations may be used to reliably interpret experimental data and guide molecular design. PMID:26523125

A dynamical approach in exploring the unknown mass in the Solar system using pulsar timing arrays

Science.gov (United States)

Guo, Y. J.; Lee, K. J.; Caballero, R. N.

2018-04-01

The error in the Solar system ephemeris will lead to dipolar correlations in the residuals of pulsar timing array for widely separated pulsars. In this paper, we utilize such correlated signals, and construct a Bayesian data-analysis framework to detect the unknown mass in the Solar system and to measure the orbital parameters. The algorithm is designed to calculate the waveform of the induced pulsar-timing residuals due to the unmodelled objects following the Keplerian orbits in the Solar system. The algorithm incorporates a Bayesian-analysis suit used to simultaneously analyse the pulsar-timing data of multiple pulsars to search for coherent waveforms, evaluate the detection significance of unknown objects, and to measure their parameters. When the object is not detectable, our algorithm can be used to place upper limits on the mass. The algorithm is verified using simulated data sets, and cross-checked with analytical calculations. We also investigate the capability of future pulsar-timing-array experiments in detecting the unknown objects. We expect that the future pulsar-timing data can limit the unknown massive objects in the Solar system to be lighter than 10-11-10-12 M⊙, or measure the mass of Jovian system to a fractional precision of 10-8-10-9.

A revised calculational model for fission

Energy Technology Data Exchange (ETDEWEB)

Atchison, F

1998-09-01

A semi-empirical parametrization has been developed to calculate the fission contribution to evaporative de-excitation of nuclei with a very wide range of charge, mass and excitation-energy and also the nuclear states of the scission products. The calculational model reproduces measured values (cross-sections, mass distributions, etc.) for a wide range of fissioning systems: Nuclei from Ta to Cf, interactions involving nucleons up to medium energy and light ions. (author)

Calculation of optimal gestation weight gain in pre-pregnancy underweight women due to body mass index change in relation to mother's height.

Science.gov (United States)

Meštrović, Zoran; Roje, Damir; Vulić, Marko; Zec, Mirela

2017-01-01

Optimal gestational weight gain has not yet been clearly defined and remains one of the most controversial issues in modern perinatology. The role of optimal weight gain during pregnancy is critical, as it has a strong effect on perinatal outcomes. In this study, gestational body mass index (BMI) change, accounting for maternal height, was investigated as a new criterion for gestational weight gain determination, in the context of fetal growth assessment. We had focused on underweight women only, and aimed to assess whether the Institute of Medicine (IOM) guidelines could be considered acceptable or additional corrections are required in this subgroup of women. The study included 1205 pre-pregnancy underweight mothers and their neonates. Only mothers with singleton term pregnancies (37th-42nd week of gestation) with pre-gestational BMI gestational age (SGA) infants in the study population was 16.2 %. Our results showed the minimal recommended gestational weight gain of 12-14 kg and BMI change of 4-5 kg/m 2 to be associated with a lower prevalence of SGA newborns. Based on our results, the recommended upper limit of gestational mass change could definitely be substantially higher. Optimal weight gain in underweight women could be estimated in the very beginning of pregnancy as recommended BMI change, but recalculated in kilograms according to body height, which modulates the numerical calculation of BMI. Our proposal presents a further step forward towards individualized approach for each pregnant woman.

Pulsation, Mass Loss and the Upper Mass Limit

Science.gov (United States)

Klapp, J.; Corona-Galindo, M. G.

1990-11-01

RESUMEN. La existencia de estrellas con masas en exceso de 100 M0 ha sido cuestionada por mucho tiempo. Lfmites superiores para la masa de 100 M0 han sido obtenidos de teorfas de pulsaci6n y formaci6n estelar. En este trabajo nosotros primero investigamos la estabilidad radial de estrellas masivas utilizando la aproximaci6n clasica cuasiadiabatica de Ledoux, la aproximaci6n cuasiadiabatica de Castor y un calculo completamente no-adiabatico. Hemos encontrado que los tres metodos de calculo dan resultados similares siempre y cuando una pequefia regi6n de las capas externas de la estrella sea despreciada para la aproximaci6n clasica. La masa crftica para estabilidad de estrellas masivas ha sido encontrada en acuerdo a trabajos anteriores. Explicamos Ia discrepancia entre este y trabajos anteriores por uno de los autores. Discunmos calculos no-lineales y perdida de masa con respecto a) lfmite superior de masa. The existence of stars with masses in excess of 100 M0 has been questioned for a very long time. Upper mass limits of 100 Me have been obtained from pulsation and star formation theories. In this work we first investigate the radial stability of massive stars using the classical Ledoux's quasiadiabatic approximation. the Castor quasiadiabatic approximation and a fully nonadiabatic calculation. We have found that the three methods of calculation give similar results provided that a small region in outer layers of the star be neglected for the classical approximation. The critical mass for stability of massive stars is found to be in agreement with previous work. We explain the reason for the discrepancy between this and previous work by one of the authors. We discuss non-linear calculations and mass loss with regard to the upper mass limit. Key words: STARS-MASS FUNCTION - STARS-MASS LOSS - STARS-PULSATION

Status of glueball mass calculations in lattice gauge theory

International Nuclear Information System (INIS)

Kronfeld, A.S.

1989-11-01

The status of glueball spectrum calculations in lattice gauge theory is briefly reviewed, with focus on the comparison between Monte Carlo simulations and small-volume analytical calculations in SU(3). The agreement gives confidence that the large-volume Monte Carlo results are accurate, at least in the context of the pure gauge theory. An overview of some of the technical questions, which is aimed at non-experts, serves as an introduction. 19 refs., 1 fig

About the use of approximations, which ensure materials mass balance conservation by spatial meshes, in Sn full core calculations

International Nuclear Information System (INIS)

Voloshchenko, A.M.; Russkov, A.A.; Gurevich, M.I.; Olejnik, D.S.

2008-01-01

One analyzes a possibility to make use of the geometry approximations conserving the materials mass local balance in every mesh via adding of mixtures in the meshes containing several feed materials to perform the kinetic calculation of the reactor core neutron fields. To set the 3D-geometry of the reactor core one makes use of the combinatorial geometry methods implemented in the MCI Program to solve the diffusivity equations by the Monte Carlo method, to convert the combinatorial prescribing of the geometry into the mesh representation - the ray tracing method. According to the calculations of the WWER-1000 reactor core and the simulations of the spent fuel storage facility, the described procedure compares favorably with the conventional geometry approximations [ru

πd scattering lengths taking into account the pion and nucleon mass differences

International Nuclear Information System (INIS)

Pupyshev, V.V.; Rakityanskii, S.A.

1985-01-01

The scattering lengths and s-wave phase shifts for πd elastic scattering are calculated in the framework of an isotopically noninvariant approach that takes into account the mass splitting of the pionic and nucleonic isomultiplets. It is shown that the particle mass differences lead to appearance of the imaginary parts in the πd scattering lengths (approx.10 -4 fm) not associated with pion absorption. The sensitivity of the mass-difference effects to variation of the parameters of the πN potential is studied and turns out to be small

A novel featureless approach to mass detection in digital mammograms based on support vector machines

Energy Technology Data Exchange (ETDEWEB)

Campanini, Renato [Department of Physics, University of Bologna, and INFN, Bologna (Italy); Dongiovanni, Danilo [Department of Physics, University of Bologna, and INFN, Bologna (Italy); Iampieri, Emiro [Department of Physics, University of Bologna, and INFN, Bologna (Italy); Lanconelli, Nico [Department of Physics, University of Bologna, and INFN, Bologna (Italy); Masotti, Matteo [Department of Physics, University of Bologna, and INFN, Bologna (Italy); Palermo, Giuseppe [Department of Physics, University of Bologna, and INFN, Bologna (Italy); Riccardi, Alessandro [Department of Physics, University of Bologna, and INFN, Bologna (Italy); Roffilli, Matteo [Department of Computer Science, University of Bologna, Bologna (Italy)

2004-03-21

In this work, we present a novel approach to mass detection in digital mammograms. The great variability of the appearance of masses is the main obstacle to building a mass detection method. It is indeed demanding to characterize all the varieties of masses with a reduced set of features. Hence, in our approach we have chosen not to extract any feature, for the detection of the region of interest; in contrast, we exploit all the information available on the image. A multiresolution overcomplete wavelet representation is performed, in order to codify the image with redundancy of information. The vectors of the very-large space obtained are then provided to a first support vector machine (SVM) classifier. The detection task is considered here as a two-class pattern recognition problem: crops are classified as suspect or not, by using this SVM classifier. False candidates are eliminated with a second cascaded SVM. To further reduce the number of false positives, an ensemble of experts is applied: the final suspect regions are achieved by using a voting strategy. The sensitivity of the presented system is nearly 80% with a false-positive rate of 1.1 marks per image, estimated on images coming from the USF DDSM database.

Theoretical Calculation of the Uv-Vis Spectral Band Locations of Pahs with Unknown Syntheses Procedures and Prospective Carcinogenic Activity

Science.gov (United States)

Ona-Ruales, Jorge Oswaldo; Ruiz-Morales, Yosadara

2017-06-01

Annellation Theory and ZINDO/S semiempirical calculations have been used for the calculation of the locations of maximum absorbance (LMA) of the Ultraviolet-Visible (UV-Vis) of 31 C_{34}H_{16} PAHs (molecular mass 424 Da) with unknown protocols of synthesis. The presence of benzo[a]pyrene bay-like regions and dibenzo[a,l]pyrene fjord-like regions in several of the structures that could be linked to an enhancement of the biological behavior and carcinogenic activity stresses the importance of C_{34}H_{16} PAHs in fields like molecular biology and cancer research. In addition, the occurrence of large PAHs in oil asphaltenes exemplifies the importance of these calculations for the characterization of complex systems. The C_{34}H_{16} PAH group is the largest molecular mass group of organic compounds analyzed so far following the Annellation Theory and ZINDO/S methodology. Future analysis using the same approach will provide evidence regarding the LMA of other high molecular mass PAHs.

Twisted mass lattice QCD with non-degenerate quark masses

International Nuclear Information System (INIS)

Muenster, Gernot; Sudmann, Tobias

2006-01-01

Quantum Chromodynamics on a lattice with Wilson fermions and a chirally twisted mass term is considered in the framework of chiral perturbation theory. For two and three numbers of quark flavours, respectively, with non-degenerate quark masses the pseudoscalar meson masses and decay constants are calculated in next-to-leading order including lattice effects quadratic in the lattice spacing a

Lattice calculation of hadronic weak matrix elements: the ΔI = 1/2 rule

International Nuclear Information System (INIS)

Bernard, C.

1984-01-01

A lattice Monte Carlo technique for calculating the matrix elements of weak operators is described. Emphasis is placed on the ΔI = 1/2 rule, which is such a large effect that the significant errors associated with current lattice methods (statistics, finite size, finite lattice spacing, extrapolations in quark mass, etc.) should not disguise the important qualitative features. A detailed exposition of the analytic bases for the calculation is given, and an attempt is made to avoid the questionable phenomenological assumptions (such as some of those inherent in the Penguin approach) which were necessary when matrix elements could not be calculated. The current state of the calculation-in-progress is described. This work is being done in collaboration with A. Soni, T. Draper, G. Hockney, and M. Rushton

Charge and frequency resolved isochronous mass spectrometry and the mass of 51Co

International Nuclear Information System (INIS)

Shuai, P.; Xu, H.S.; Tu, X.L.; Zhang, Y.H.; Sun, B.H.; Wang, M.

2014-01-01

Revolution frequency measurements of individual ions in storage rings require sophisticated timing detectors. One of common approaches for such detectors is the detection of secondary electrons released from a thin foil due to penetration of the stored ions. A new method based on the analysis of intensities of secondary electrons was developed which enables determination of the charge of each ion simultaneously with the measurement of its revolution frequency. Although the mass-over-charge ratios of 51 Co 27+ and 34 Ar 18+ ions are almost identical, and therefore, the ions cannot be resolved in a storage ring, by applying the new method the mass excess of the short-lived 51 Co is determined for the first time to be ME( 51 Co)=−27342(48) keV. Shell-model calculations in the fp-shell nuclei compared to the new data indicate the need to include isospin-nonconserving forces

Precision mass measurements of neutron-rich Co isotopes beyond N =40

Science.gov (United States)

Izzo, C.; Bollen, G.; Brodeur, M.; Eibach, M.; Gulyuz, K.; Holt, J. D.; Kelly, J. M.; Redshaw, M.; Ringle, R.; Sandler, R.; Schwarz, S.; Stroberg, S. R.; Sumithrarachchi, C. S.; Valverde, A. A.; Villari, A. C. C.

2018-01-01

The region near Z =28 and N =40 is a subject of great interest for nuclear structure studies due to spectroscopic signatures in 68Ni suggesting a subshell closure at N =40 . Trends in nuclear masses and their derivatives provide a complementary approach to shell structure investigations via separation energies. Penning trap mass spectrometry has provided precise measurements for a number of nuclei in this region; however, a complete picture of the mass surfaces has so far been limited by the large uncertainty remaining for nuclei with N >40 along the iron (Z =26 ) and cobalt (Z =27 ) chains because these species are not available from traditional isotope separator online rare isotope facilities. The Low-Energy Beam and Ion Trap Facility at the National Superconducting Cyclotron Laboratory is the first and only Penning trap mass spectrometer coupled to a fragmentation facility and therefore presents the unique opportunity to perform precise mass measurements of these elusive isotopes. Here we present the first Penning trap measurements of Co,6968, carried out at this facility. Some ambiguity remains as to whether the measured values are ground-state or isomeric-state masses. A detailed discussion is presented to evaluate this question and to motivate future work. In addition, we perform ab initio calculations of ground-state and two-neutron separation energies of cobalt isotopes with the valence-space in-medium similarity renormalization group approach based on a particular set of two- and three-nucleon forces that predict saturation in infinite matter. We discuss the importance of these measurements and calculations for understanding the evolution of nuclear structure near 68Ni.

Calibrating a surface mass-balance model for Austfonna ice cap, Svalbard

Science.gov (United States)

Schuler, Thomas Vikhamar; Loe, Even; Taurisano, Andrea; Eiken, Trond; Hagen, Jon Ove; Kohler, Jack

2007-10-01

Austfonna (8120 km2) is by far the largest ice mass in the Svalbard archipelago. There is considerable uncertainty about its current state of balance and its possible response to climate change. Over the 2004/05 period, we collected continuous meteorological data series from the ice cap, performed mass-balance measurements using a network of stakes distributed across the ice cap and mapped the distribution of snow accumulation using ground-penetrating radar along several profile lines. These data are used to drive and test a model of the surface mass balance. The spatial accumulation pattern was derived from the snow depth profiles using regression techniques, and ablation was calculated using a temperature-index approach. Model parameters were calibrated using the available field data. Parameter calibration was complicated by the fact that different parameter combinations yield equally acceptable matches to the stake data while the resulting calculated net mass balance differs considerably. Testing model results against multiple criteria is an efficient method to cope with non-uniqueness. In doing so, a range of different data and observations was compared to several different aspects of the model results. We find a systematic underestimation of net balance for parameter combinations that predict observed ice ablation, which suggests that refreezing processes play an important role. To represent these effects in the model, a simple PMAX approach was included in its formulation. Used as a diagnostic tool, the model suggests that the surface mass balance for the period 29 April 2004 to 23 April 2005 was negative (-318 mm w.e.).

Calculation of retention time tolerance windows with absolute confidence from shared liquid chromatographic retention data.

Science.gov (United States)

Boswell, Paul G; Abate-Pella, Daniel; Hewitt, Joshua T

2015-09-18

Compound identification by liquid chromatography-mass spectrometry (LC-MS) is a tedious process, mainly because authentic standards must be run on a user's system to be able to confidently reject a potential identity from its retention time and mass spectral properties. Instead, it would be preferable to use shared retention time/index data to narrow down the identity, but shared data cannot be used to reject candidates with an absolute level of confidence because the data are strongly affected by differences between HPLC systems and experimental conditions. However, a technique called "retention projection" was recently shown to account for many of the differences. In this manuscript, we discuss an approach to calculate appropriate retention time tolerance windows for projected retention times, potentially making it possible to exclude candidates with an absolute level of confidence, without needing to have authentic standards of each candidate on hand. In a range of multi-segment gradients and flow rates run among seven different labs, the new approach calculated tolerance windows that were significantly more appropriate for each retention projection than global tolerance windows calculated for retention projections or linear retention indices. Though there were still some small differences between the labs that evidently were not taken into account, the calculated tolerance windows only needed to be relaxed by 50% to make them appropriate for all labs. Even then, 42% of the tolerance windows calculated in this study without standards were narrower than those required by WADA for positive identification, where standards must be run contemporaneously. Copyright © 2015 Elsevier B.V. All rights reserved.

Usefulness of percentage enhancement washout value calculated on unenhanced, contrast-enhanced, and delayed enhanced CT in adrenal masses: adenoma versus metastasis

International Nuclear Information System (INIS)

Sohn, Kyung Myung; Lee, Sung Yong; Lee, Keun Ho

2003-01-01

To determine the usefulness of percentage enhancement washout value calculated on unenhanced, enhanced and delayed enhanced CT scans for the characterization of adrenal masses. Forty adrenal masses less than 5 cm in size were assessed using a protocol consisting of unenhanced CT, enhanced CT 60 seconds after intravenous administration of contrast material, and delayed enhanced CT at 10 minutes. The CT attenuation value of adrenal tumors was estimated on each scan, and percentage enhancement washout value was calculated as follows:[(attenuation value at enhanced CT-attenuation value at delayed CT)/ (attenuation value at enhanced CT-attenuation value at unenhanced CT)x100]. An adrenal mass was considered benign if its percentage enhancement washout value was at the threshold value, set to 60% and 50%, or higher. The accuracy of the procedure was determined by comparing its findings with the final clinical diagnosis. Twenty-nine massess were benign and 11 were malignant. The mean percentage enhancement washout value of the former was significantly higher than that of the latter (66.7% vs. 21.8%; p<0.01). All adenomas except one had a washout value of more than 50%. With a percentage washout threshold of 60%, 35 of 40 lesions were correctly characterized as benign or malignant [sensitivity 82.7% (24/29), specificity 100% (11/11), accuracy 87.5% (35/40)]; with a threshold of 50%, 39 of 40 lesions were correctly characterized [(sensitivity 96.5% (28/29), specificity 100% (11/11), accuracy 97.5% (39/40)]. Percentage enhancement washout values are useful for characterizing an adrenal mass as benign or malignant. For characterization, a threshold value of 50% was more accurate than one of 60%

Evaluation of a mass-balance approach to determine consumptive water use in northeastern Illinois

Science.gov (United States)

Mills, Patrick C.; Duncker, James J.; Over, Thomas M.; Marian Domanski,; ,; Engel, Frank

2014-01-01

A principal component of evaluating and managing water use is consumptive use. This is the portion of water withdrawn for a particular use, such as residential, which is evaporated, transpired, incorporated into products or crops, consumed by humans or livestock, or otherwise removed from the immediate water environment. The amount of consumptive use may be estimated by a water (mass)-balance approach; however, because of the difficulty of obtaining necessary data, its application typically is restricted to the facility scale. The general governing mass-balance equation is: Consumptive use = Water supplied - Return flows.

Relativistic mean-field mass models

Energy Technology Data Exchange (ETDEWEB)

Pena-Arteaga, D.; Goriely, S.; Chamel, N. [Universite Libre de Bruxelles, Institut d' Astronomie et d' Astrophysique, CP-226, Brussels (Belgium)

2016-10-15

We present a new effort to develop viable mass models within the relativistic mean-field approach with density-dependent meson couplings, separable pairing and microscopic estimations for the translational and rotational correction energies. Two interactions, DD-MEB1 and DD-MEB2, are fitted to essentially all experimental masses, and also to charge radii and infinite nuclear matter properties as determined by microscopic models using realistic interactions. While DD-MEB1 includes the σ, ω and ρ meson fields, DD-MEB2 also considers the δ meson. Both mass models describe the 2353 experimental masses with a root mean square deviation of about 1.1 MeV and the 882 measured charge radii with a root mean square deviation of 0.029 fm. In addition, we show that the Pb isotopic shifts and moments of inertia are rather well reproduced, and the equation of state in pure neutron matter as well as symmetric nuclear matter are in relatively good agreement with existing realistic calculations. Both models predict a maximum neutron-star mass of more than 2.6 solar masses, and thus are able to accommodate the heaviest neutron stars observed so far. However, the new Lagrangians, like all previously determined RMF models, present the drawback of being characterized by a low effective mass, which leads to strong shell effects due to the strong coupling between the spin-orbit splitting and the effective mass. Complete mass tables have been generated and a comparison with other mass models is presented. (orig.)

RSMASS-D nuclear thermal propulsion and bimodal system mass models

Science.gov (United States)

King, Donald B.; Marshall, Albert C.

1997-01-01

Two relatively simple models have been developed to estimate reactor, radiation shield, and balance of system masses for a particle bed reactor (PBR) nuclear thermal propulsion concept and a cermet-core power and propulsion (bimodal) concept. The approach was based on the methodology developed for the RSMASS-D models. The RSMASS-D approach for the reactor and shield sub-systems uses a combination of simple equations derived from reactor physics and other fundamental considerations along with tabulations of data from more detailed neutron and gamma transport theory computations. Relatively simple models are used to estimate the masses of other subsystem components of the nuclear propulsion and bimodal systems. Other subsystem components include instrumentation and control (I&C), boom, safety systems, radiator, thermoelectrics, heat pipes, and nozzle. The user of these models can vary basic design parameters within an allowed range to achieve a parameter choice which yields a minimum mass for the operational conditions of interest. Estimated system masses are presented for a range of reactor power levels for propulsion for the PBR propulsion concept and for both electrical power and propulsion for the cermet-core bimodal concept. The estimated reactor system masses agree with mass predictions from detailed calculations with xx percent for both models.

Research of compression strength of fissured rock mass

Directory of Open Access Journals (Sweden)

А. Г. Протосеня

2017-03-01

Full Text Available The article examines a method of forecasting strength properties and their scale effect in fissured rock mass using computational modelling with final elements method in ABAQUS software. It shows advantages of this approach for solving tasks of determining mechanical properties of fissured rock mass, main stages of creating computational geomechanic model of rock mass and conducting a numerical experiment. The article presents connections between deformation during loading of numerical model, inclination angle of main fracture system from uniaxial and biaxial compression strength value, size of the sample of fissured rock mass and biaxial compression strength value under conditions of apatite-nepheline rock deposit at Plateau Rasvumchorr OAO «Apatit» in Kirovsky region of Murmanskaya oblast. We have conducted computational modelling of rock mass blocks testing in discontinuities based on real experiment using non-linear shear strength criterion of Barton – Bandis and compared results of computational experiments with data from field studies and laboratory tests. The calculation results have a high-quality match to laboratory results when testing fissured rock mass samples.

How mass spectrometric approaches applied to bacterial identification have revolutionized the study of human gut microbiota.

Science.gov (United States)

Grégory, Dubourg; Chaudet, Hervé; Lagier, Jean-Christophe; Raoult, Didier

2018-03-01

Describing the human hut gut microbiota is one the most exciting challenges of the 21 st century. Currently, high-throughput sequencing methods are considered as the gold standard for this purpose, however, they suffer from several drawbacks, including their inability to detect minority populations. The advent of mass-spectrometric (MS) approaches to identify cultured bacteria in clinical microbiology enabled the creation of the culturomics approach, which aims to establish a comprehensive repertoire of cultured prokaryotes from human specimens using extensive culture conditions. Areas covered: This review first underlines how mass spectrometric approaches have revolutionized clinical microbiology. It then highlights the contribution of MS-based methods to culturomics studies, paying particular attention to the extension of the human gut microbiota repertoire through the discovery of new bacterial species. Expert commentary: MS-based approaches have enabled cultivation methods to be resuscitated to study the human gut microbiota and thus to fill in the blanks left by high-throughput sequencing methods in terms of culturing minority populations. Continued efforts to recover new taxa using culture methods, combined with their rapid implementation in genomic databases, would allow for an exhaustive analysis of the gut microbiota through the use of a comprehensive approach.

Up, down, strange and charm quark masses with Nf=2+1+1 twisted mass lattice QCD

Directory of Open Access Journals (Sweden)

N. Carrasco

2014-10-01

Full Text Available We present a lattice QCD calculation of the up, down, strange and charm quark masses performed using the gauge configurations produced by the European Twisted Mass Collaboration with Nf=2+1+1 dynamical quarks, which include in the sea, besides two light mass degenerate quarks, also the strange and charm quarks with masses close to their physical values. The simulations are based on a unitary setup for the two light quarks and on a mixed action approach for the strange and charm quarks. The analysis uses data at three values of the lattice spacing and pion masses in the range 210–450 MeV, allowing for accurate continuum limit and controlled chiral extrapolation. The quark mass renormalization is carried out non-perturbatively using the RI′-MOM method. The results for the quark masses converted to the MS¯ scheme are: mud(2 GeV=3.70(17 MeV, ms(2 GeV=99.6(4.3 MeV and mc(mc=1.348(46 GeV. We obtain also the quark mass ratios ms/mud=26.66(32 and mc/ms=11.62(16. By studying the mass splitting between the neutral and charged kaons and using available lattice results for the electromagnetic contributions, we evaluate mu/md=0.470(56, leading to mu=2.36(24 MeV and md=5.03(26 MeV.

Ab initio calculation of the neutron-proton mass difference

CERN Multimedia

CERN. Geneva

2015-01-01

The existence and stability of atoms relies on the fact that neutrons are more massive than protons. The mass difference is only 0.14% of the average and has significant astrophysical and cosmological implications. A slightly smaller or larger value would have led to a dramatically different universe. After an introduction to the problem and to lattice quantum chromodynamics (QCD), I will show how this difference can be computed precisely by carefully accounting for electromagnetic and mass isospin breaking effects in lattice computations. I will also report on results for splittings in the \\Sigma, \\Xi, D and \\Xi_{cc} isospin multiplets, some of which are predictions. The computations are performed in lattice QCD plus QED with four, non-degenerate quark flavors.

Evaluation of bromide mass discharge in a sandy aquifer at Vandenberg AFB, CA

Science.gov (United States)

Mackay, D. M.; Rasa, E.; Einarson, M.; Kaiser, P.; Chakraborty, I.; Scow, K. M.

2009-12-01

Side-by-side experiments were conducted by UC Davis research team at a former fuel station at Vandenberg Air Force Base (AFB) to evaluate the rate of transformation of methyl tert-butyl ether (MTBE) to tert-butyl alcohol (TBA) impacted by ethanol and to investigate evidence of TBA degradation under sulfate reducing conditions. On one side we injected groundwater amended with ethanol and MTBE. In the other lane we injected groundwater amended with TBA. On both sides, injected ground water was spiked with bromide tracer to provide estimates of groundwater flow direction variations, flow velocity, dispersion, and mobile mass loss resulting from diffusive sequestration into aquitards. 162 monitoring wells were aligned into seven transects located downgradient of the injection wells. The mass discharge approach was used to evaluate the natural attenuation of the injected constituents. In this talk we will focus on calculations of mass discharge of the bromide tracer at each of the seven monitoring well transects. The amount of bromide mass discharged through each transect was calculated for any sampling time using field measurements of break through curves. Cumulative mass discharges were estimated and, by iteration based on mass balance, the flow properties of the aquifer were estimated. The calibration process resulted in subtle but quantitatively important changes in our assumptions regarding key physical properties of the aquifer (thickness, porosity) which could be only approximately estimated by standard methods (coring, CPT, etc.). On the basis of this calibration, a more robust approach was devised for evaluating the source and fate of TBA in the aquifer.

THE MASS DISTRIBUTION OF STELLAR-MASS BLACK HOLES

International Nuclear Information System (INIS)

Farr, Will M.; Sravan, Niharika; Kalogera, Vicky; Cantrell, Andrew; Kreidberg, Laura; Bailyn, Charles D.; Mandel, Ilya

2011-01-01

We perform a Bayesian analysis of the mass distribution of stellar-mass black holes using the observed masses of 15 low-mass X-ray binary systems undergoing Roche lobe overflow and 5 high-mass, wind-fed X-ray binary systems. Using Markov Chain Monte Carlo calculations, we model the mass distribution both parametrically—as a power law, exponential, Gaussian, combination of two Gaussians, or log-normal distribution—and non-parametrically—as histograms with varying numbers of bins. We provide confidence bounds on the shape of the mass distribution in the context of each model and compare the models with each other by calculating their relative Bayesian evidence as supported by the measurements, taking into account the number of degrees of freedom of each model. The mass distribution of the low-mass systems is best fit by a power law, while the distribution of the combined sample is best fit by the exponential model. This difference indicates that the low-mass subsample is not consistent with being drawn from the distribution of the combined population. We examine the existence of a 'gap' between the most massive neutron stars and the least massive black holes by considering the value, M 1% , of the 1% quantile from each black hole mass distribution as the lower bound of black hole masses. Our analysis generates posterior distributions for M 1% ; the best model (the power law) fitted to the low-mass systems has a distribution of lower bounds with M 1% >4.3 M sun with 90% confidence, while the best model (the exponential) fitted to all 20 systems has M 1% >4.5 M sun with 90% confidence. We conclude that our sample of black hole masses provides strong evidence of a gap between the maximum neutron star mass and the lower bound on black hole masses. Our results on the low-mass sample are in qualitative agreement with those of Ozel et al., although our broad model selection analysis more reliably reveals the best-fit quantitative description of the underlying mass

A Tabular Approach to Titration Calculations

Science.gov (United States)

Lim, Kieran F.

2012-01-01

Titrations are common laboratory exercises in high school and university chemistry courses, because they are easy, relatively inexpensive, and they illustrate a number of fundamental chemical principles. While students have little difficulty with calculations involving a single titration step, there is a significant leap in conceptual difficulty…

Quasiparticle self-consistent GW calculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients

DEFF Research Database (Denmark)

Svane, Axel; Christensen, Niels Egede; Cardona,, M.

2010-01-01

The electronic band structures of PbS, PbSe, and PbTe in the rocksalt structure are calculated with the quasiparticle self-consistent GW (QSGW) approach with spin-orbit coupling included. The semiconducting gaps and their deformation potentials as well as the effective masses are obtained. The GW...

A Recommended New Approach on Motorization Ratio Calculations of Stepper Motors

Science.gov (United States)

Nalbandian, Ruben; Blais, Thierry; Horth, Richard

2014-01-01

Stepper motors are widely used on most spacecraft mechanisms requiring repeatable and reliable performance. The unique detent torque characteristics of these type of motors makes them behave differently when subjected to low duty cycle excitations where the applied driving pulses are only energized for a fraction of the pulse duration. This phenomenon is even more pronounced in discrete permanent magnet stepper motors used in the space industry. While the inherent high detent properties of discrete permanent magnets provide desirable unpowered holding performance characteristics, it results in unique behavior especially in low duty cycles. Notably, the running torque reduces quickly to the unpowered holding torque when the duty cycle is reduced. The space industry's accepted methodology of calculating the Motorization Ratio (or Torque Margin) is more applicable to systems where the power is continuously applied to the motor coils like brushless DC motors where the cogging torques are low enough not to affect the linear performance of the motors as a function of applied current. This paper summarizes the theoretical and experimental studies performed on a number of space qualified motors under different pulse rates and duty cycles. It is the intention of this paper to introduce a new approach to calculate the Motorization Ratios for discrete permanent magnet steppers under all full and partial duty cycle regimes. The recommended approach defines two distinct relationships to calculate the Motorization Ratio for 100 percent duty cycle and partial duty cycle, when the motor detent (unpowered holding torque) is the main contributor to holding position. These two computations reflect accurately the stepper motor physical behavior as a function of the command phase (ON versus OFF times of the pulses), pointing out how the torque contributors combine. Important points highlighted under this study are the torque margin computations, in particular for well characterized

Biota Modeling in EPA's Preliminary Remediation Goal and Dose Compliance Concentration Calculators for Use in EPA Superfund Risk Assessment: Explanation of Intake Rate Derivation, Transfer Factor Compilation, and Mass Loading Factor Sources

International Nuclear Information System (INIS)

Manning, Karessa L.; Dolislager, Fredrick G.; Bellamy, Michael B.

2016-01-01

The Preliminary Remediation Goal (PRG) and Dose Compliance Concentration (DCC) calculators are screening level tools that set forth Environmental Protection Agency's (EPA) recommended approaches, based upon currently available information with respect to risk assessment, for response actions at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) sites, commonly known as Superfund. The screening levels derived by the PRG and DCC calculators are used to identify isotopes contributing the highest risk and dose as well as establish preliminary remediation goals. Each calculator has a residential gardening scenario and subsistence farmer exposure scenarios that require modeling of the transfer of contaminants from soil and water into various types of biota (crops and animal products). New publications of human intake rates of biota; farm animal intakes of water, soil, and fodder; and soil to plant interactions require updates be implemented into the PRG and DCC exposure scenarios. Recent improvements have been made in the biota modeling for these calculators, including newly derived biota intake rates, more comprehensive soil mass loading factors (MLFs), and more comprehensive soil to tissue transfer factors (TFs) for animals and soil to plant transfer factors (BV's). New biota have been added in both the produce and animal products categories that greatly improve the accuracy and utility of the PRG and DCC calculators and encompass greater geographic diversity on a national and international scale.

A Simplified Calculation of a Continuous Flow Packed Contactor with Help of Characteristic Times

OpenAIRE

Sovová, Helena

2011-01-01

The proposed approach is illustrated on several examples of supercritical fluid extraction kinetics. Simple expressions for the calculation of characteristic times of both extraction and individual extraction steps are derived from mass balance equations and applied on experimental data from typical extractions from plants with supercritical CO2, as the extraction of oils from seeds or the extraction of essential oils from aromatic plants.

A practical approach for the calculation of the activation energy of the sintering

Directory of Open Access Journals (Sweden)

Pouchly Vaclav

2016-01-01

Full Text Available Newly developed software for calculation of activation energy (Qs in the following of sintering using the Wang and Raj model is presented. To demonstrate the practical potential of the software and to evaluate the behaviour of the Qs during the sintering process, alumina and cubic zirconia ceramic compacts were prepared from nanometric powders. The results obtained with both materials are in agreement with previously published data calculated by different approaches. In the interval of interest (relative densities from 60 % to almost 100 % of theoretical density, both materials show similar behaviour. Three distinct regions can be seen: the initial constant values of Qs 868 kJ/mol and 762 kJ/mol for alumina and cubic zirconia, respectively; a region containing linear drop of Qs and the final region of constant Qs values 625 kJ/mol and 645 kJ/mol for alumina and cubic zirconia, respectively.

An algorithm for mass matrix calculation of internally constrained molecular geometries

International Nuclear Information System (INIS)

Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

2008-01-01

Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model

An algorithm for mass matrix calculation of internally constrained molecular geometries.

Science.gov (United States)

Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

2008-01-28

Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model.

Occurrence and fate of pharmaceutically active compounds in the largest municipal wastewater treatment plant in Southwest China: mass balance analysis and consumption back-calculated model.

Science.gov (United States)

Yan, Qing; Gao, Xu; Huang, Lei; Gan, Xiu-Mei; Zhang, Yi-Xin; Chen, You-Peng; Peng, Xu-Ya; Guo, Jin-Song

2014-03-01

The occurrence and fate of twenty-one pharmaceutically active compounds (PhACs) were investigated in different steps of the largest wastewater treatment plant (WWTP) in Southwest China. Concentrations of these PhACs were determined in both wastewater and sludge phases by a high-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry. Results showed that 21 target PhACs were present in wastewater and 18 in sludge. The calculated total mass load of PhACs per capita to the influent, the receiving water and sludge were 4.95mgd(-1)person(-1), 889.94μgd(-1)person(-1) and 78.57μgd(-1)person(-1), respectively. The overall removal efficiency of the individual PhACs ranged from "negative removal" to almost complete removal. Mass balance analysis revealed that biodegradation is believed to be the predominant removal mechanism, and sorption onto sludge was a relevant removal pathway for quinolone antibiotics, azithromycin and simvastatin, accounting for 9.35-26.96% of the initial loadings. However, the sorption of the other selected PhACs was negligible. The overall pharmaceutical consumption in Chongqing, China, was back-calculated based on influent concentration by considering the pharmacokinetics of PhACs in humans. The back-estimated usage was in good agreement with usage of ofloxacin (agreement ratio: 72.5%). However, the back-estimated usage of PhACs requires further verification. Generally, the average influent mass loads and back-calculated annual per capita consumption of the selected antibiotics were comparable to or higher than those reported in developed countries, while the case of other target PhACs was opposite. Copyright © 2013 Elsevier Ltd. All rights reserved.

Mass Media and Religious Culture of the Audiences; Suggesting a Useful Approach to Media Productions for Children

Directory of Open Access Journals (Sweden)

Nasser Bahonar

2008-10-01

Full Text Available The religious program of mass media exclusively produced for children have had a significant growth in recent years. The artistic expression of stories related to the life of the great prophets and to the history of Islam as well as taking advantage of theatrical literature in religious occasions can herald successes in this neglected field. But, what is questionable in national religious policies in that why who are involved in the religious education of children whether in traditional media (family, mosques, religious communities, etc or in modern media (textbooks, press, radio and television do not follow an integrated and coherent policy based on a proved theoretical view of religious communications. In fact, this question results from the same old opposition between audience-oriented and media-oriented approaches in communications as well as the opposition between cognitivism and other approaches in psychology. The findings of the field of study conducted by the author along with psychological achievements of cognitivism in human communications and cultural audience-oriented approaches, especially reception theory in mass communications can solve some existing difficulties in the formulation of religious messages. Drawing upon the above mentioned theoretical schools, this article tries to introduce a useful approach to producing religious programs for children and describes the main tasks of mass media in this field accordingly.

Evaluation of flow accelerated corrosion by coupled analysis of corrosion and flow dynamics (2), flow dynamics calculations for determining mixing factors and mass transfer coefficients

International Nuclear Information System (INIS)

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

2009-01-01

In order to predict and mitigate flow accelerated corrosion (FAC) of carbon steel piping in PWR and BWR secondary systems, computer program packages for evaluating FAC have been developed by coupling one through three dimensional (1-3D) computational flow dynamics (CFD) models and corrosion models. To evaluate corrosive conditions, e.g., oxygen concentration and electrochemical corrosion potential (ECP) along the flow path, flow pattern and temperature in each elemental volume were obtained with 1D computational flow dynamics (CFD) codes. Precise flow turbulence and mass transfer coefficients at the structure surface were calculated with 3D CFD codes to determine wall thinning rates. One of the engineering options is application of k-ε calculation as a 3D CFD code, which has limitation of detail evaluation of flow distribution at very surface of large scale piping. A combination of k-ε calculation and wall function was proposed to evaluate precise distribution of mass transfer coefficients with reasonable CPU volume and computing time and, at the same time, reasonable accuracy. (author)

A calculation technique to improve continuous monitoring of containment integrity

International Nuclear Information System (INIS)

Dick, J.E.

1990-01-01

The containment envelope of nuclear plants is a passive and extremely effective safety feature. World experience indicates, however, that inadvertent breaches of envelope integrity can go undetected for substantial time periods. Consequently, continuous monitoring of integrity is being closely examined by many containment designers and operators. The most promising approach is to use sensors and systems that automatically measure changes in the mass of air in containment, time integrate any known air mass flow rates across containment boundaries, and perform a mass balance to obtain the air mass leaked. As fluctuations in such measurements are typically too large to enable leakage to be calculated to the desired precision, filtering and statistical techniques must be used to filter out random and time-dependent fluctuations. Current approaches cannot easily deal with nonrandom or systematic fluctuations in the measurements, including pressure changes within the containment. As a result, sampling periods must be kept short, or data measured during periods of varying containment pressure must be discarded. The technique described allows for much longer sampling periods under conditions of fluctuating containment pressure and eliminates the invalidation of data when the containment pressure fluctuation is nonrandom. It should therefore yield a much more precise value for the containment leakage characteristic. It also promises to be able to distinguish the presence of systematic errors unrelated to systematic pressure changes and to establish whether the containment leakage characteristic is laminar or turbulent

Calculation of thermodynamic equilibrium for reactions of plutonium with air

International Nuclear Information System (INIS)

Zou Lexi; Sun Ying; Luo Deli; Xue Weidong; Zhu Zhenghe; Wang Rong

2000-01-01

There are six independent component with 4 chemical elements, i.e. PuH 2.7 (s), PuN(s), Pu 2 O 3 (s), N 2 (g) and H 2 (g), therefore, the system described involves of 2 independent reactions, both ΔG degree << O. The mass balances calculated for gas and solid phases are in good agreement with those of experimental, indicating the chemical equilibrium is nearly approached. So, it is believed that the reaction ratio of plutonium hydride with air is extremely rapid. The results are meaningful to the storage of plutonium

A Comparison of Vertical Stiffness Values Calculated from Different Measures of Center of Mass Displacement in Single-Leg Hopping.

Science.gov (United States)

Mudie, Kurt L; Gupta, Amitabh; Green, Simon; Hobara, Hiroaki; Clothier, Peter J

2017-02-01

This study assessed the agreement between K vert calculated from 4 different methods of estimating vertical displacement of the center of mass (COM) during single-leg hopping. Healthy participants (N = 38) completed a 10-s single-leg hopping effort on a force plate, with 3D motion of the lower limb, pelvis, and trunk captured. Derived variables were calculated for a total of 753 hop cycles using 4 methods, including: double integration of the vertical ground reaction force, law of falling bodies, a marker cluster on the sacrum, and a segmental analysis method. Bland-Altman plots demonstrated that K vert calculated using segmental analysis and double integration methods have a relatively small bias (0.93 kN⋅m -1 ) and 95% limits of agreement (-1.89 to 3.75 kN⋅m -1 ). In contrast, a greater bias was revealed between sacral marker cluster and segmental analysis (-2.32 kN⋅m -1 ), sacral marker cluster and double integration (-3.25 kN⋅m -1 ), and the law of falling bodies compared with all methods (17.26-20.52 kN⋅m -1 ). These findings suggest the segmental analysis and double integration methods can be used interchangeably for the calculation of K vert during single-leg hopping. The authors propose the segmental analysis method to be considered the gold standard for the calculation of K vert during single-leg, on-the-spot hopping.

A new observable to measure the top-quark mass at hadron colliders

Energy Technology Data Exchange (ETDEWEB)

Alioli, S. [Lawrence Berkeley National Lab., CA (United States); California Univ., Berkeley, CA (United States); Fernandez, P.; Fuster, J.; Irles, A.; Vos, M. [Valencia Univ. (Spain). IFIC; CSIC, Paterna (Spain); Moch, S. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Uwer, P. [Humboldt-Universitaet, Berlin (Germany)

2013-03-15

A new method to measure the top-quark mass in high energetic hadron collisions is presented. We use theoretical predictions calculated at next-to-leading order accuracy in quantum chromodynamics to study the (normalized) differential distribution of the t anti t+1-jet cross section with respect to its invariant mass {radical}(s{sub t} {sub anti} {sub tj}). The sensitivity of the method to the top-quark mass together with the impact of various theoretical and experimental uncertainties has been investigated and quantified. The new method allows for a complementary measurement of the top-quark mass parameter and has a high potential to become competitive in precision with respect to established approaches. Furthermore we emphasize that in the proposed method the mass parameter is uniquely defined through one-loop renormalization.

A new observable to measure the top-quark mass at hadron colliders

International Nuclear Information System (INIS)

Alioli, S.; Fernandez, P.; Fuster, J.; Irles, A.; Vos, M.; Moch, S.; Uwer, P.

2013-03-01

A new method to measure the top-quark mass in high energetic hadron collisions is presented. We use theoretical predictions calculated at next-to-leading order accuracy in quantum chromodynamics to study the (normalized) differential distribution of the t anti t+1-jet cross section with respect to its invariant mass √(s t anti tj ). The sensitivity of the method to the top-quark mass together with the impact of various theoretical and experimental uncertainties has been investigated and quantified. The new method allows for a complementary measurement of the top-quark mass parameter and has a high potential to become competitive in precision with respect to established approaches. Furthermore we emphasize that in the proposed method the mass parameter is uniquely defined through one-loop renormalization.

Approach and methods to evaluate the uncertainty in system thermalhydraulic calculations

International Nuclear Information System (INIS)

D'Auria, F.

2004-01-01

The evaluation of uncertainty constitutes the necessary supplement of Best Estimate (BE) calculations performed to understand accident scenarios in water cooled nuclear reactors. The needs come from the imperfection of computational tools on the one side and from the interest in using such tool to get more precise evaluation of safety margins. In the present paper the approaches to uncertainty are outlined and the CIAU (Code with capability of Internal Assessment of Uncertainty) method proposed by the University of Pisa is described including ideas at the basis and results from applications. An activity in progress at the International Atomic Energy Agency (IAEA) is considered. Two approaches are distinguished that are characterized as 'propagation of code input uncertainty' and 'propagation of code output errors'. For both methods, the thermal-hydraulic code is at the centre of the process of uncertainty evaluation: in the former case the code itself is adopted to compute the error bands and to propagate the input errors, in the latter case the errors in code application to relevant measurements are used to derive the error bands. The CIAU method exploits the idea of the 'status approach' for identifying the thermalhydraulic conditions of an accident in any Nuclear Power Plant (NPP). Errors in predicting such status are derived from the comparison between predicted and measured quantities and, in the stage of the application of the method, are used to compute the uncertainty. (author)

A Ligand-observed Mass Spectrometry Approach Integrated into the Fragment Based Lead Discovery Pipeline

Science.gov (United States)

Chen, Xin; Qin, Shanshan; Chen, Shuai; Li, Jinlong; Li, Lixin; Wang, Zhongling; Wang, Quan; Lin, Jianping; Yang, Cheng; Shui, Wenqing

2015-01-01

In fragment-based lead discovery (FBLD), a cascade combining multiple orthogonal technologies is required for reliable detection and characterization of fragment binding to the target. Given the limitations of the mainstream screening techniques, we presented a ligand-observed mass spectrometry approach to expand the toolkits and increase the flexibility of building a FBLD pipeline especially for tough targets. In this study, this approach was integrated into a FBLD program targeting the HCV RNA polymerase NS5B. Our ligand-observed mass spectrometry analysis resulted in the discovery of 10 hits from a 384-member fragment library through two independent screens of complex cocktails and a follow-up validation assay. Moreover, this MS-based approach enabled quantitative measurement of weak binding affinities of fragments which was in general consistent with SPR analysis. Five out of the ten hits were then successfully translated to X-ray structures of fragment-bound complexes to lay a foundation for structure-based inhibitor design. With distinctive strengths in terms of high capacity and speed, minimal method development, easy sample preparation, low material consumption and quantitative capability, this MS-based assay is anticipated to be a valuable addition to the repertoire of current fragment screening techniques. PMID:25666181

Hot-wire air flow meter for gasoline fuel-injection system. Calculation of air mass in cylinder during transient condition; Gasoline funsha system yo no netsusenshiki kuki ryuryokei. Kato untenji no cylinder juten kukiryo no keisan

Energy Technology Data Exchange (ETDEWEB)

Oyama, Y [Hitachi Car Engineering, Ltd., Tokyo (Japan); Nishimura, Y; Osuga, M; Yamauchi, T [Hitachi, Ltd., Tokyo (Japan)

1997-10-01

Air flow characteristics of hot-wire air flow meters for gasoline fuel-injection systems with supercharging and exhaust gas recycle during transient conditions were investigated to analyze a simple method for calculating air mass in cylinder. It was clarified that the air mass in cylinder could be calculated by compensating for the change of air mass in intake system by using aerodynamic models of intake system. 3 refs., 6 figs., 1 tab.

Application of terrestrial photogrammetry for the mass balance calculation on Montasio Occidentale Glacier (Julian Alps, Italy)

Science.gov (United States)

Piermattei, Livia; Carturan, Luca; Calligaro, Simone; Blasone, Giacomo; Guarnieri, Alberto; Tarolli, Paolo; Dalla Fontana, Giancarlo; Vettore, Antonio

2014-05-01

Digital elevation models (DEMs) of glaciated terrain are commonly used to measure changes in geometry and hence infer the mass balance of glaciers. Different tools and methods exist to obtain information about the 3D geometry of terrain. Recent improvements on the quality and performance of digital cameras for close-range photogrammetry, and the development of automatic digital photogrammetric processing makes the 'structure from motion' photogrammetric technique (SfM) competitive for high quality 3D models production, compared to efficient but also expensive and logistically-demanding survey technologies such as airborn and terrestrial laser scanner (TLS). The purpose of this work is to test the SfM approach, using a consumer-grade SLR camera and the low-cost computer vision-based software package Agisoft Photoscan (Agisoft LLC), to monitor the mass balance of Montasio Occidentale glacier, a 0.07km2, low-altitude, debris-covered glacier located in the Eastern Italian Alps. The quality of the 3D models produced by the SfM process has been assessed by comparison with digital terrain models obtained through TLS surveys carried out at the same dates. TLS technique has indeed proved to be very effective in determining the volume change of this glacier in the last years. Our results shows that the photogrammetric approach can produce point cloud densities comparable to those derived from TLS measurements. Furthermore, the horizontal and vertical accuracies are also of the same order of magnitude as for TLS (centimetric to decimetric). The effect of different landscape characteristics (e.g. distance from the camera or terrain gradient) and of different substrata (rock, debris, ice, snow and firn) was also evaluated in terms of SfM reconstruction's accuracy vs. TLS. Given the good results obtained on the Montasio Occidentale glacier, it can be concluded that the terrestrial photogrammetry, with the advantageous features of portability, ease of use and above all low costs

Investigation of the spectroscopy and relaxation dynamics of benzaldehyde using molecular orbital calculations and laser ionization time-of-flight mass spectroscopy

Science.gov (United States)

da Silva, Maria Cristina Rodrigues

1998-11-01

Molecular orbital methods and laser ionization mass spectrometry measurements are used to investigate the spectroscopy and relaxation dynamics of benzaldehyde following excitation to its S2(/pi/pi/sp/*) state. Energies, equilibrium geometries and vibrational frequencies of ground and low-lying excited states of benzaldehyde neutral and cation determined by ab initio calculations provide a theoretical description of the electronic spectroscopy of benzaldehyde and of the changes occurring on excitation and ionization. The S2(/pi/pi/sp/*)[/gets]S0 excitation spectrum of jet-cooled benzaldehyde acquired using two-color laser ionization mass spectrometry techniques is interpreted with the aid of these calculations. The spectrum is dominated by the origin band and by transitions involving some of the ring modes consistent with the results of the molecular orbital calculations that indicate that the major geometric changes on excitation to S2 are located in the aromatic ring. Ten fundamental vibrations of the S2(/pi/pi/sp/*) state are assigned. The dissociation dynamics of benzaldehyde into benzene and carbon monoxide following excitation to its S2(/pi/pi/sp/*) state are investigated under jet- cooled conditions by two-color laser ionization mass spectrometry using a pump-probe technique. This experimental arrangement allows monitoring the benzaldehyde reactant and the benzene product ion signals as a function of the time delay between the excitation and ionization steps. A kinetic model is proposed to explain the observed biexponential decay of the benzaldehyde signal and the single exponential growth of the benzene product signal in terms of a sequential decay of two excited states of benzaldehyde, one of which leads to formation of benzene molecules in its lowest triplet state. Reactant disappearance and product appearance rates are determined for a number of vibronic transitions of the S2 state. They are found to increase with excitation energy without any indication

Simulating at realistic quark masses. Light quark masses

International Nuclear Information System (INIS)

Goeckeler, M.; Streuer, T.

2006-11-01

We present new results for light quark masses. The calculations are performed using two flavours of O(a) improved Wilson fermions. We have reached lattice spacings as small as a ∝0.07 fm and pion masses down to m π ∝340 MeV in our simulations. This gives us significantly better control on the chiral and continuum extrapolations. (orig.)

Differential population synthesis approach to mass segregation in M92

International Nuclear Information System (INIS)

Tobin, W.J.

1979-01-01

Spectra are presented of 26 low-metal stars and of the center and one-quarter intensity positions of M92. Spectral coverage is from 390 to 870 nm with resolution better than 1 nm in the blue and 2 nm in the red. Individual pixel signal-to-noise is about 100. Dwarf features are notably absent from the M92 spectra. Numerical estimates of 36 absorption features are extracted from every spectrum, as are two continuum indices. Mathematical models are constructed describing each feature's dependence on stellar color, luminosity, and metal content and then used to estimate the metal content of 6 of the stars for which the metal content is not known. For 10 features reliably measured in M92's center and edge a mass segregation sensitivity parameter is derived from each feature's deduced luminosity dependence. The ratio of feature equivalent widths at cluster edge and center are compared to this sensitivity: no convincing evidence of mass segregation is seen. The only possible edge-to-center difference seen is in the Mg b 517.4 nm feature. Three of the 10 cluster features can be of interstellar origin, at least in part; in particular the luminosity-sensitive Na D line cannot be used as a segregation indicator. The experience gained suggests that an integrated spectrum approach to globular cluster mass segregation is very difficult. An appendix describes in detail the capabilities of the Pine Bluff Observatory .91 m telescope, Cassegrain grating spectrograph, and intensified Reticon dual diode-array detector. It is possible to determine a highly consistent wavelength calibration

Multiscale multiphysics nonempirical approach to calculation of light emission properties of chemically active nonequilibrium plasma: application to Ar-GaI3 system

International Nuclear Information System (INIS)

Adamson, S; Astapenko, V; Chernysheva, I; Chorkov, V; Deminsky, M; Demchenko, G; Demura, A; Demyanov, A; Dyatko, N; Eletzkii, A; Knizhnik, A; Kochetov, I; Napartovich, A; Rykova, E; Sukhanov, L; Umanskii, S; Vetchinkin, A; Zaitsevskii, A; Potapkin, B

2007-01-01

Present-day computational techniques provide a possibility of evaluating properties of macrosystems using ab initio quantum chemistry and theories of elementary processes. Physical and chemical phenomena on very different timescales have to be taken into account (excitation, emission, chemical reactions, diffusion) at different levels of refining. This refining covers a very wide region of parameters starting from the structure of species up to the macro chemical mechanism of their conversion. This multilevel approach is described in detail in the paper and includes interaction and data transfer between different levels of phenomena description. In the framework of the approach, unknown properties of molecules, ions and atoms (structure, potential energy curves, transition dipole moments) are calculated based on quantum-chemical methods. The calculation results are used to evaluate rate characteristics of physical and chemical processes. The developed kinetic state-to-state scheme is then used to calculate the macro properties of the system under investigation. As an example of the multilevel approach, the emission properties of the Ar-GaI 3 positive column discharge plasma were calculated using the Chemical Work Bench computational environment. The calculations yield the electron energy balance and emission efficiency as functions of plasma parameters

A recommended approach for calculating degraded voltage relay setpoints for nuclear generating stations

International Nuclear Information System (INIS)

Jancauskas, J.R.

1994-01-01

The purpose of degrading voltage relays (DVRs) is to ensure that adequate voltage is available to operate all Class 1E loads at all voltage distribution levels. Should voltage drop below the setpoint of the DVRs, the Class 1E power system is disconnected from its supply and resequenced onto the diesel generators in order to restore system voltages to acceptable levels. These relays represent one of the two levels of voltage protection required for the onsite power system. Determining the proper setpoint for degraded voltage relays in nuclear generating stations is a complex task which requires a complete understanding of the Class 1E power distribution system. Despite the importance of degraded voltage relay setpoint calculations, most of the available references only give clues on how not to set these relays rather than provide guidance on how to determine the appropriate setpoint. This paper presents an approach for performing these calculations which attempts to ensure that all of the relevant design issues are addressed

Fermion masses from dimensional reduction

International Nuclear Information System (INIS)

Kapetanakis, D.; Zoupanos, G.

1990-01-01

We consider the fermion masses in gauge theories obtained from ten dimensions through dimensional reduction on coset spaces. We calculate the general fermion mass matrix and we apply the mass formula in illustrative examples. (orig.)

Fermion masses from dimensional reduction

Energy Technology Data Exchange (ETDEWEB)

Kapetanakis, D. (National Research Centre for the Physical Sciences Democritos, Athens (Greece)); Zoupanos, G. (European Organization for Nuclear Research, Geneva (Switzerland))

1990-10-11

We consider the fermion masses in gauge theories obtained from ten dimensions through dimensional reduction on coset spaces. We calculate the general fermion mass matrix and we apply the mass formula in illustrative examples. (orig.).

A Bayesian geostatistical approach for evaluating the uncertainty of contaminant mass discharges from point sources

Science.gov (United States)

Troldborg, M.; Nowak, W.; Binning, P. J.; Bjerg, P. L.

2012-12-01

Estimates of mass discharge (mass/time) are increasingly being used when assessing risks of groundwater contamination and designing remedial systems at contaminated sites. Mass discharge estimates are, however, prone to rather large uncertainties as they integrate uncertain spatial distributions of both concentration and groundwater flow velocities. For risk assessments or any other decisions that are being based on mass discharge estimates, it is essential to address these uncertainties. We present a novel Bayesian geostatistical approach for quantifying the uncertainty of the mass discharge across a multilevel control plane. The method decouples the flow and transport simulation and has the advantage of avoiding the heavy computational burden of three-dimensional numerical flow and transport simulation coupled with geostatistical inversion. It may therefore be of practical relevance to practitioners compared to existing methods that are either too simple or computationally demanding. The method is based on conditional geostatistical simulation and accounts for i) heterogeneity of both the flow field and the concentration distribution through Bayesian geostatistics (including the uncertainty in covariance functions), ii) measurement uncertainty, and iii) uncertain source zone geometry and transport parameters. The method generates multiple equally likely realizations of the spatial flow and concentration distribution, which all honour the measured data at the control plane. The flow realizations are generated by analytical co-simulation of the hydraulic conductivity and the hydraulic gradient across the control plane. These realizations are made consistent with measurements of both hydraulic conductivity and head at the site. An analytical macro-dispersive transport solution is employed to simulate the mean concentration distribution across the control plane, and a geostatistical model of the Box-Cox transformed concentration data is used to simulate observed

ACTOMP - AUTOCAD TO MASS PROPERTIES

Science.gov (United States)

Jones, A.

1994-01-01

AutoCAD to Mass Properties was developed to facilitate quick mass properties calculations of structures having many simple elements in a complex configuration such as trusses or metal sheet containers. Calculating the mass properties of structures of this type can be a tedious and repetitive process, but ACTOMP helps automate the calculations. The structure can be modelled in AutoCAD or a compatible CAD system in a matter of minutes using the 3-Dimensional elements. This model provides all the geometric data necessary to make a mass properties calculation of the structure. ACTOMP reads the geometric data of a drawing from the Drawing Interchange File (DXF) used in AutoCAD. The geometric entities recognized by ACTOMP include POINTs, 3DLINEs, and 3DFACEs. ACTOMP requests mass, linear density, or area density of the elements for each layer, sums all the elements and calculates the total mass, center of mass (CM) and the mass moments of inertia (MOI). AutoCAD utilizes layers to define separate drawing planes. ACTOMP uses layers to differentiate between multiple types of similar elements. For example if a structure is made of various types of beams, modeled as 3DLINEs, each with a different linear density, the beams can be grouped by linear density and each group placed on a separate layer. The program will request the linear density of 3DLINEs for each new layer it finds as it processes the drawing information. The same is true with POINTs and 3DFACEs. By using layers this way a very complex model can be created. POINTs are used for point masses such as bolts, small machine parts, or small electronic boxes. 3DLINEs are used for beams, bars, rods, cables, and other similarly slender elements. 3DFACEs are used for planar elements. 3DFACEs may be created as 3 or 4 Point faces. Some examples of elements that might be modelled using 3DFACEs are plates, sheet metal, fabric, boxes, large diameter hollow cylinders and evenly distributed masses. ACTOMP was written in Microsoft

Semiclassical approach to Regge poles trajectories calculations for nonsingular potentials: Thomas-Fermi type

International Nuclear Information System (INIS)

Belov, S M; Avdonina, N B; Felfli, Z; Marletta, M; Msezane, A Z; Naboko, S N

2004-01-01

A simple semiclassical approach, based on the investigation of anti-Stokes line topology, is presented for calculating Regge poles for nonsingular (Thomas-Fermi type) potentials, namely potentials with singularities at the origin weaker than order -2. The anti-Stokes lines for Thomas-Fermi potentials have a more complicated structure than those of singular potentials and require careful application of complex analysis. The explicit solution of the Bohr-Sommerfeld quantization condition is used to obtain approximate Regge poles. We introduce and employ three hypotheses to obtain several terms of the Regge pole approximation

All-loop calculations of total, elastic and single diffractive cross sections in RFT via the stochastic approach

International Nuclear Information System (INIS)

Kolevatov, R. S.; Boreskov, K. G.

2013-01-01

We apply the stochastic approach to the calculation of the Reggeon Field Theory (RFT) elastic amplitude and its single diffractive cut. The results for the total, elastic and single difractive cross sections with account of all Pomeron loops are obtained.

All-loop calculations of total, elastic and single diffractive cross sections in RFT via the stochastic approach

Energy Technology Data Exchange (ETDEWEB)

Kolevatov, R. S. [SUBATECH, Ecole des Mines de Nantes, 4 rue Alfred Kastler, 44307 Nantes Cedex 3 (France); Boreskov, K. G. [Institute of Theoretical and Experimental Physics, 117259, Moscow (Russian Federation)

2013-04-15

We apply the stochastic approach to the calculation of the Reggeon Field Theory (RFT) elastic amplitude and its single diffractive cut. The results for the total, elastic and single difractive cross sections with account of all Pomeron loops are obtained.

In-medium no-core shell model for ab initio nuclear structure calculations

International Nuclear Information System (INIS)

Gebrerufael, Eskendr

2017-01-01

In this work, we merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multi-reference in-medium similarity renormalization group (IM-SRG), to define a novel many-body approach for the comprehensive description of ground and excited states of closed- and open-shell medium-mass nuclei. Building on the key advantages of the two methods - the decoupling of excitations at the many-body level in the IM-SRG, and the exact diagonalization in the NCSM applicable up to medium-light nuclei - their combination enables fully converged no-core calculations for an unprecedented range of nuclei and observables at moderate computational cost. The efficiency and rapid model-space convergence of the new approach make it ideally suited for ab initio studies of ground and low-lying excited states of nuclei up to the medium-mass regime. Interactions constructed within the framework of chiral effective field theory provide an excellent opportunity to describe properties of nuclei from first principles, i.e., rooted in quantum chromodynamics, they overcome the lack of predictive power of phenomenological potentials. The hard core of these interactions causes strong short-range correlations, which we soften by using the similarity-renormalization-group transformation that accelerates the model-space convergence of many-body calculations. Three-nucleon effects, which are mandatory for the correct description of bulk properties of nuclei, are included in our calculations by using the normal-ordered two-body approximation, which has been shown to be sufficient to capture the main effects of the three-nucleon interaction. Using these interactions, we analyze energies of ground and excited states in the carbon and oxygen isotopic chains, where conventional NCSM calculations are still feasible and provide an important benchmark. Furthermore, we study the Hoyle state in 12 C - a three-alpha cluster state that cannot be converged in standard NCSM

Demonstration of isotope-mass balance approach for water budget analyses of El-burulus Lake, Nile Delta, Egypt

International Nuclear Information System (INIS)

Sadek, M.A.

2006-01-01

The major elements of El-Burulus lake water system are rainfall, agricultural drainage discharge, groundwater, human activities, evaporation and water interaction between the lake and the Mediterranean sea. The principal input sources are agricultural drainage (8 drains at the southern borders of the lake), sea water as well as some contribution of precipitation, groundwater and human activities. Water is lost from the lake through evaporation and surface outflow. The present study has been conducted using isotopic / mass balance approach to investigate the water balance of El-Burulus lake and to emphasize the relative contribution of different input / output components which affect the environmental and hydrological terms of the system. An isotopic evaporation pan experiment was performed to estimate the parameters of relevance to water balance (isotopic composition of free air moisture and evaporating flux) and to simulate the isotopic enrichment of evaporation under atmospheric and hydraulic control. The isotopic mass balance approach employed herein facilitated the estimation of groundwater inflow to the lake, evaporated fraction of total lake inflow (E/I) and its fraction to outflow (E/O), ratio of surface inflow to surface outflow (I/O) as well as residence time of lake water. The isotopic mass balance approach has been validated by comparing the values of estimated parameters with the previous hydrological investigations; a quite good match has been indicated, the relevance of this approach is related to its integrative scale and the more simply implementation

Mass Society/Culture/Media: An Eclectic Approach.

Science.gov (United States)

Clavner, Jerry B.

Instructors of courses in mass society, culture, and communication start out facing three types of difficulties: the historical orientation of learning, the parochialism of various disciplines, and negative intellectually elitist attitudes toward mass culture/media. Added to these problems is the fact that many instructors have little or no…

A practical approach for electron monitor unit calculation

International Nuclear Information System (INIS)

Choi, David; Patyal, Baldev; Cho, Jongmin; Cheng, Ing Y; Nookala, Prashanth

2009-01-01

Electron monitor unit (MU) calculation requires measured beam data such as the relative output factor (ROF) of a cone, insert correction factor (ICF) and effective source-to-surface distance (ESD). Measuring the beam data to cover all possible clinical cases is not practical for a busy clinic because it takes tremendous time and labor. In this study, we propose a practical approach to reduce the number of data measurements without affecting accuracy. It is based on two findings of dosimetric properties of electron beams. One is that the output ratio of two inserts is independent of the cone used, and the other is that ESD is a function of field size but independent of cone and jaw opening. For the measurements to prove the findings, a parallel plate ion chamber (Markus, PTW 23343) with an electrometer (Cardinal Health 35040) was used. We measured the outputs to determine ROF, ICF and ESD of different energies (5-21 MeV). Measurements were made in a Plastic Water(TM) phantom or in water. Three linear accelerators were used: Siemens MD2 (S/N 2689), Siemens Primus (S/N 3305) and Varian Clinic 21-EX (S/N 1495). With these findings, the number of data set to be measured can be reduced to less than 20% of the data points. (note)

Relativistic few body calculations

International Nuclear Information System (INIS)

Gross, F.

1988-01-01

A modern treatment of the nuclear few-body problem must take into account both the quark structure of baryons and mesons, which should be important at short range, and the relativistic exchange of mesons, which describes the long range, peripheral interactions. A way to model both of these aspects is described. The long range, peripheral interactions are calculated using the spectator model, a general approach in which the spectators to nucleon interactions are put on their mass-shell. Recent numerical results for a relativistic OBE model of the NN interaction, obtained by solving a relativistic equation with one-particle on mass-shell, will be presented and discussed. Two meson exchange models, one with only four mesons (π,σ,/rho/,ω) but with a 25% admixture of γ 5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ 5 γ/sup μ/ pion coupling, are shown to give very good quantitative fits to the NN scattering phase shifts below 400 MeV, and also a good description of the /rvec p/ 40 Ca elastic scattering observables. Applications of this model to electromagnetic interactions of the two body system, with emphasis on the determination of relativistic current operators consistent with the dynamics and the exact treatment of current conservation in the presence of phenomenological form factors, will be described. 18 refs., 8 figs

Simulating at realistic quark masses. Light quark masses

Energy Technology Data Exchange (ETDEWEB)

Goeckeler, M. [Regensburg Univ. (Germany). Inst. fuer Physik 1 - Theoretische Physik; Horsley, R.; Zanotti, J.M. [Edinburgh Univ. (United Kingdom). School of Physics; Nakamura, Y.; Pleiter, D. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Dept. of Mathematical Sciences; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC]|[Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Streuer, T. [Kentucky Univ., Lexington, KY (United States). Dept. of Physics and Astronomy; Stueben, H. [Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB) (Germany)

2006-11-15

We present new results for light quark masses. The calculations are performed using two flavours of O(a) improved Wilson fermions. We have reached lattice spacings as small as a {proportional_to}0.07 fm and pion masses down to m{sub {pi}} {proportional_to}340 MeV in our simulations. This gives us significantly better control on the chiral and continuum extrapolations. (orig.)

Determination of the binding sites for oxaliplatin on insulin using mass spectrometry-based approaches

DEFF Research Database (Denmark)

Møller, Charlotte; Sprenger, Richard R.; Stürup, Stefan

2011-01-01

Using insulin as a model protein for binding of oxaliplatin to proteins, various mass spectrometric approaches and techniques were compared. Several different platinum adducts were observed, e.g. addition of one or two diaminocyclohexane platinum(II) (Pt(dach)) molecules. By top-down analysis...... and fragmentation of the intact insulin-oxaliplatin adduct using nano-electrospray ionisation quadrupole time-of-flight mass spectrometry (nESI-Q-ToF-MS), the major binding site was assigned to histidine5 on the insulin B chain. In order to simplify the interpretation of the mass spectrum, the disulphide bridges...... were reduced. This led to the additional identification of cysteine6 on the A chain as a binding site along with histidine5 on the B chain. Digestion of insulin-oxaliplatin with endoproteinase Glu-C (GluC) followed by reduction led to the formation of five peptides with Pt(dach) attached...

Comparison of different approaches to the numerical calculation of the LMJ focal

Directory of Open Access Journals (Sweden)

Bourgeade A.

2013-11-01

Full Text Available The beam smoothing in the focal plane of high power lasers is of particular importance to laser-plasma interaction studies in order to minimize plasma parametric and hydrodynamic instabilities on the target. Here we investigate the focal spot structure in different geometrical configurations where standard paraxial hypotheses are no longer verified. We present numerical studies in the cases of single flat top square beam, LMJ quadruplet and complete ring of quads with large azimuth angle. Different calculations are made with Fresnel diffraction propagation model in the paraxial approximation and full vector Maxwell's equations. The first model is based on Fourier transform from near to far field method. The second model uses first spherical wave decomposition in plane waves with Fourier transform and propagates them to the focal spot. These two different approaches are compared with Miró [1] modeling results using paraxial or Feit and Fleck options. The methods presented here are generic for focal spot calculations. They can be used for other complex geometric configurations and various smoothing techniques. The results will be used as boundary conditions in plasma interaction computations.

Mass balance modelling of contaminants in river basins: a flexible matrix approach.

Science.gov (United States)

Warren, Christopher; Mackay, Don; Whelan, Mick; Fox, Kay

2005-12-01

A novel and flexible approach is described for simulating the behaviour of chemicals in river basins. A number (n) of river reaches are defined and their connectivity is described by entries in an n x n matrix. Changes in segmentation can be readily accommodated by altering the matrix entries, without the need for model revision. Two models are described. The simpler QMX-R model only considers advection and an overall loss due to the combined processes of volatilization, net transfer to sediment and degradation. The rate constant for the overall loss is derived from fugacity calculations for a single segment system. The more rigorous QMX-F model performs fugacity calculations for each segment and explicitly includes the processes of advection, evaporation, water-sediment exchange and degradation in both water and sediment. In this way chemical exposure in all compartments (including equilibrium concentrations in biota) can be estimated. Both models are designed to serve as intermediate-complexity exposure assessment tools for river basins with relatively low data requirements. By considering the spatially explicit nature of emission sources and the changes in concentration which occur with transport in the channel system, the approach offers significant advantages over simple one-segment simulations while being more readily applicable than more sophisticated, highly segmented, GIS-based models.

Evaluating the Sensitivity of the Mass-Based Particle Removal Calculations for HVAC Filters in ISO 16890 to Assumptions for Aerosol Distributions

Directory of Open Access Journals (Sweden)

Brent Stephens

2018-02-01

Full Text Available High efficiency particle air filters are increasingly being recommended for use in heating, ventilating, and air-conditioning (HVAC systems to improve indoor air quality (IAQ. ISO Standard 16890-2016 provides a methodology for approximating mass-based particle removal efficiencies for PM1, PM2.5, and PM10 using size-resolved removal efficiency measurements for 0.3 µm to 10 µm particles. Two historical volume distribution functions for ambient aerosol distributions are assumed to represent ambient air in urban and rural areas globally. The goals of this work are to: (i review the ambient aerosol distributions used in ISO 16890, (ii evaluate the sensitivity of the mass-based removal efficiency calculation procedures described in ISO 16890 to various assumptions that are related to indoor and outdoor aerosol distributions, and (iii recommend several modifications to the standard that can yield more realistic estimates of mass-based removal efficiencies for HVAC filters, and thus provide a more realistic representation of a greater number of building scenarios. The results demonstrate that knowing the PM mass removal efficiency estimated using ISO 16890 is not sufficient to predict the PM mass removal efficiency in all of the environments in which the filter might be used. The main reason for this insufficiency is that the assumptions for aerosol number and volume distributions can substantially impact the results, albeit with some exceptions.

Mass change calculations of hydrothermal alterations within the volcanogenic metasediments hosted Cu-Pb (-Zn) mineralization at Halilar area, NW Turkey

Science.gov (United States)

Kiran Yildirim, Demet; Abdelnasser, Amr; Doner, Zeynep; Kumral, Mustafa

2016-04-01

The Halilar Cu-Pb (-Zn) mineralization that is formed in the volcanogenic metasediments of Bagcagiz Formation at Balikesir province, NW Turkey, represents locally vein-type deposit as well as restricted to fault gouge zone directed NE-SW along with the lower boundary of Bagcagiz Formation and Duztarla granitic intrusion in the study area. Furthermore, This granite is traversed by numerous mineralized sheeted vein systems, which locally transgress into the surrounding metasediments. Therefore, this mineralization closely associated with intense hydrothermal alteration within brecciation, and quartz stockwork veining. The ore mineral assemblage includes chalcopyrite, galena, and some sphalerite with covellite and goethite formed during three phases of mineralization (pre-ore, main ore, and supergene) within an abundant gangue of quartz and calcite. The geologic and field relationships, petrographic and mineralogical studies reveal two alteration zones occurred with the Cu-Pb (-Zn) mineralization along the contact between the Bagcagiz Formation and Duztarla granite; pervasive phyllic alteration (quartz, sericite, and pyrite), and selective propylitic alteration (albite, calcite, epidote, sericite and/or chlorite). This work, by using the mass balance calculations, reports the mass/volume changes (gain and loss) of the chemical components of the hydrothermal alteration zones associated with Halilar Cu-Pb (-Zn) mineralization at Balikesir area (Turkey). It revealed that the phyllic alteration has enrichments of Si, Fe, K, Ba, and LOI with depletion of Mg, Ca, and Na reflect sericitization of alkali feldspar and destruction of ferromagnesian minerals. This zone has high Cu and Pb with Zn contents represents the main mineralized zone. On the other hand, the propylitic zone is characterized by addition of Ca, Na, K, Ti, P, and Ba with LOI and Cu (lower content) referring to the replacement of plagioclase and ferromagnesian minerals by albite, calcite, epidote, and sericite

Corrosion calculations report for the safety assessment SR-Site

International Nuclear Information System (INIS)

2010-12-01

This report is a compilation of the quantitative assessments of corrosion of the copper canisters in a KBS-3 repository. The calculations are part of the safety assessment SR-Site that is the long-term safety assessment to support the license application for building a final repository for spent nuclear fuel at Forsmark, Sweden. The safety assessment methodology gives the frame for the structured and documented approach to assess all conceivable corrosion processes. The quantitative assessments are done in different ways depending on the nature of the process and on the implications for the long-term safety. The starting point for the handling of the corrosion processes is the description of all known corrosion processes for copper with the current knowledge base and applied to the specific system and geology. Already at this stage some processes are excluded for further analysis, for example if the repository environment is not a sufficient prerequisite for the process to occur. The next step is to identify processes where the extent of corrosion could be bounded, e.g. by a mass balance approach. For processes where a mass balance is not limiting, the mass transport of corrodants (or corrosion products) is taken into account. A simple approach would be just to calculate the diffusive transport of corrodants through the bentonite, but generally the transport resistance for the interface between groundwater in a rock fracture intersecting the deposition hole and the bentonite buffer is more important. In SR-Site, the concept of equivalent flowrate, Q eq , is used. This assessment is done integrated with the evaluation of the geochemical and hydrogeological evolution of the repository. For most of the corrosion processes analysed, the corrosion depth is much smaller than the copper shell thickness, even for the assessment time of 10 6 years. Several processes give corrosion depths less than 100 μm, but no process give corrosion depths larger than a few millimetres

Corrosion calculations report for the safety assessment SR-Site

Energy Technology Data Exchange (ETDEWEB)

2010-12-15

This report is a compilation of the quantitative assessments of corrosion of the copper canisters in a KBS-3 repository. The calculations are part of the safety assessment SR-Site that is the long-term safety assessment to support the license application for building a final repository for spent nuclear fuel at Forsmark, Sweden. The safety assessment methodology gives the frame for the structured and documented approach to assess all conceivable corrosion processes. The quantitative assessments are done in different ways depending on the nature of the process and on the implications for the long-term safety. The starting point for the handling of the corrosion processes is the description of all known corrosion processes for copper with the current knowledge base and applied to the specific system and geology. Already at this stage some processes are excluded for further analysis, for example if the repository environment is not a sufficient prerequisite for the process to occur. The next step is to identify processes where the extent of corrosion could be bounded, e.g. by a mass balance approach. For processes where a mass balance is not limiting, the mass transport of corrodants (or corrosion products) is taken into account. A simple approach would be just to calculate the diffusive transport of corrodants through the bentonite, but generally the transport resistance for the interface between groundwater in a rock fracture intersecting the deposition hole and the bentonite buffer is more important. In SR-Site, the concept of equivalent flowrate, Q{sub eq}, is used. This assessment is done integrated with the evaluation of the geochemical and hydrogeological evolution of the repository. For most of the corrosion processes analysed, the corrosion depth is much smaller than the copper shell thickness, even for the assessment time of 106 years. Several processes give corrosion depths less than 100 mum, but no process give corrosion depths larger than a few

New approaches for calculating Moran's index of spatial autocorrelation.

Science.gov (United States)

Chen, Yanguang

2013-01-01

Spatial autocorrelation plays an important role in geographical analysis; however, there is still room for improvement of this method. The formula for Moran's index is complicated, and several basic problems remain to be solved. Therefore, I will reconstruct its mathematical framework using mathematical derivation based on linear algebra and present four simple approaches to calculating Moran's index. Moran's scatterplot will be ameliorated, and new test methods will be proposed. The relationship between the global Moran's index and Geary's coefficient will be discussed from two different vantage points: spatial population and spatial sample. The sphere of applications for both Moran's index and Geary's coefficient will be clarified and defined. One of theoretical findings is that Moran's index is a characteristic parameter of spatial weight matrices, so the selection of weight functions is very significant for autocorrelation analysis of geographical systems. A case study of 29 Chinese cities in 2000 will be employed to validate the innovatory models and methods. This work is a methodological study, which will simplify the process of autocorrelation analysis. The results of this study will lay the foundation for the scaling analysis of spatial autocorrelation.

New approaches for calculating Moran's index of spatial autocorrelation.

Directory of Open Access Journals (Sweden)

Yanguang Chen

Full Text Available Spatial autocorrelation plays an important role in geographical analysis; however, there is still room for improvement of this method. The formula for Moran's index is complicated, and several basic problems remain to be solved. Therefore, I will reconstruct its mathematical framework using mathematical derivation based on linear algebra and present four simple approaches to calculating Moran's index. Moran's scatterplot will be ameliorated, and new test methods will be proposed. The relationship between the global Moran's index and Geary's coefficient will be discussed from two different vantage points: spatial population and spatial sample. The sphere of applications for both Moran's index and Geary's coefficient will be clarified and defined. One of theoretical findings is that Moran's index is a characteristic parameter of spatial weight matrices, so the selection of weight functions is very significant for autocorrelation analysis of geographical systems. A case study of 29 Chinese cities in 2000 will be employed to validate the innovatory models and methods. This work is a methodological study, which will simplify the process of autocorrelation analysis. The results of this study will lay the foundation for the scaling analysis of spatial autocorrelation.

Model to calculate mass flow rate and other quantities of two-phase flow in a pipe with a densitometer, a drag disk, and a turbine meter

International Nuclear Information System (INIS)

Aya, I.

1975-11-01

The proposed model was developed at ORNL to calculate mass flow rate and other quantities of two-phase flow in a pipe when the flow is dispersed with slip between the phases. The calculational model is based on assumptions concerning the characteristics of a turbine meter and a drag disk. The model should be validated with experimental data before being used in blowdown analysis. In order to compare dispersed flow and homogeneous flow, the ratio of readings from each flow regime for each device discussed is calculated for a given mass flow rate and steam quality. The sensitivity analysis shows that the calculated flow rate of a steam-water mixture (based on the measurements of a drag disk and a gamma densitometer in which the flow is assumed to be homogeneous even if there is some slip between phases) is very close to the real flow rate in the case of dispersed flow at a low quality. As the steam quality increases at a constant slip ratio, all models are prone to overestimate. At 20 percent quality the overestimates reach 8 percent in the proposed model, 15 percent in Rouhani's model, 38 percent in homogeneous model, and 75 percent in Popper's model

Searching for intermediate-mass black holes in galaxies with low-luminosity AGN: a multiple-method approach

Science.gov (United States)

Koliopanos, F.; Ciambur, B.; Graham, A.; Webb, N.; Coriat, M.; Mutlu-Pakdil, B.; Davis, B.; Godet, O.; Barret, D.; Seigar, M.

2017-10-01

Intermediate Mass Black Holes (IMBHs) are predicted by a variety of models and are the likely seeds for super massive BHs (SMBHs). However, we have yet to establish their existence. One method, by which we can discover IMBHs, is by measuring the mass of an accreting BH, using X-ray and radio observations and drawing on the correlation between radio luminosity, X-ray luminosity and the BH mass, known as the fundamental plane of BH activity (FP-BH). Furthermore, the mass of BHs in the centers of galaxies, can be estimated using scaling relations between BH mass and galactic properties. We are initiating a campaign to search for IMBH candidates in dwarf galaxies with low-luminosity AGN, using - for the first time - three different scaling relations and the FP-BH, simultaneously. In this first stage of our campaign, we measure the mass of seven LLAGN, that have been previously suggested to host central IMBHs, investigate the consistency between the predictions of the BH scaling relations and the FP-BH, in the low mass regime and demonstrate that this multiple method approach provides a robust average mass prediction. In my talk, I will discuss our methodology, results and next steps of this campaign.

Re-assessing Present Day Global Mass Transport and Glacial Isostatic Adjustment From a Data Driven Approach

Science.gov (United States)

Wu, X.; Jiang, Y.; Simonsen, S.; van den Broeke, M. R.; Ligtenberg, S.; Kuipers Munneke, P.; van der Wal, W.; Vermeersen, B. L. A.

2017-12-01

Determining present-day mass transport (PDMT) is complicated by the fact that most observations contain signals from both present day ice melting and Glacial Isostatic Adjustment (GIA). Despite decades of progress in geodynamic modeling and new observations, significant uncertainties remain in both. The key to separate present-day ice mass change and signals from GIA is to include data of different physical characteristics. We designed an approach to separate PDMT and GIA signatures by estimating them simultaneously using globally distributed interdisciplinary data with distinct physical information and a dynamically constructed a priori GIA model. We conducted a high-resolution global reappraisal of present-day ice mass balance with focus on Earth's polar regions and its contribution to global sea-level rise using a combination of ICESat, GRACE gravity, surface geodetic velocity data, and an ocean bottom pressure model. Adding ice altimetry supplies critically needed dual data types over the interiors of ice covered regions to enhance separation of PDMT and GIA signatures, and achieve half an order of magnitude expected higher accuracies for GIA and consequently ice mass balance estimates. The global data based approach can adequately address issues of PDMT and GIA induced geocenter motion and long-wavelength signatures important for large areas such as Antarctica and global mean sea level. In conjunction with the dense altimetry data, we solved for PDMT coefficients up to degree and order 180 by using a higher-resolution GRACE data set, and a high-resolution a priori PDMT model that includes detailed geographic boundaries. The high-resolution approach solves the problem of multiple resolutions in various data types, greatly reduces aliased errors from a low-degree truncation, and at the same time, enhances separation of signatures from adjacent regions such as Greenland and Canadian Arctic territories.

Description of odd-mass nuclei by multi-reference energy density functional methods

International Nuclear Information System (INIS)

Bally, B.

2014-01-01

In this work, we are interested in the treatment of odd-mass atomic nuclei in energy density functional (EDF) models. More precisely, the goal of this thesis is to develop and to apply to odd-mass nuclei, the theoretical extensions of the EDF method that are: first, the projection technique, and secondly the configuration mixing by the generator coordinate method (GCM). These two extensions are part of the so-called multi-reference energy density functional (MR-EDF) formalism and allow one to take into account, within an EDF context, the 'beyond-mean-field' correlations between the nucleons forming the nucleus. Until now, the MR-EDF formalism has been applied, in its fully-fledged version, only to the calculation of even-even nuclei. In this thesis, we want to demonstrate the applicability of such a model also for the description of odd-mass nuclei. In the first part of this thesis, we describe the theoretical formalism of the EDF models, giving particular attention to the treatment of symmetries within our approach. In the second part of the manuscript, we apply our model to the nucleus 25 Mg and investigate different aspects of the method (e.g. numerical accuracy, convergence of the configuration mixing, comparison to known experimental data). The results obtained in this work are encouraging and demonstrate the potential of our approach for theoretical nuclear structure calculations. (author)

Calculation of Some Properties of Vacuum and π，σ Mesons in the Global Color Symmetry Model

Institute of Scientific and Technical Information of China (English)

ZONGHong－Shi; LIUYu－Xin; 等

2001-01-01

Based on the quark propagator derived in the instanton dilute liquid approximation,the quark condensate ,the mixed quark gluon condensate gs,the four-quark condensate and tensor,pion vacuum susceptibilities have been calculated at the mean-field leval in a nonperturbative QCD model.The numerical results are compatible with the values obtained within other nonperturbative approaches.The calculated masses and decay constants of π and σ mesons are close to the experimental values.These results show that the instanton medium might be a good approximation of the QCD vacuum.

Biota Modeling in EPA's Preliminary Remediation Goal and Dose Compliance Concentration Calculators for Use in EPA Superfund Risk Assessment: Explanation of Intake Rate Derivation, Transfer Factor Compilation, and Mass Loading Factor Sources

Energy Technology Data Exchange (ETDEWEB)

Manning, Karessa L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dolislager, Fredrick G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bellamy, Michael B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2016-11-01

The Preliminary Remediation Goal (PRG) and Dose Compliance Concentration (DCC) calculators are screening level tools that set forth Environmental Protection Agency's (EPA) recommended approaches, based upon currently available information with respect to risk assessment, for response actions at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) sites, commonly known as Superfund. The screening levels derived by the PRG and DCC calculators are used to identify isotopes contributing the highest risk and dose as well as establish preliminary remediation goals. Each calculator has a residential gardening scenario and subsistence farmer exposure scenarios that require modeling of the transfer of contaminants from soil and water into various types of biota (crops and animal products). New publications of human intake rates of biota; farm animal intakes of water, soil, and fodder; and soil to plant interactions require updates be implemented into the PRG and DCC exposure scenarios. Recent improvements have been made in the biota modeling for these calculators, including newly derived biota intake rates, more comprehensive soil mass loading factors (MLFs), and more comprehensive soil to tissue transfer factors (TFs) for animals and soil to plant transfer factors (BV's). New biota have been added in both the produce and animal products categories that greatly improve the accuracy and utility of the PRG and DCC calculators and encompass greater geographic diversity on a national and international scale.

Mass absorption and mass energy transfer coefficients for 0.4-10 MeV gamma rays in elemental solids and gases

Energy Technology Data Exchange (ETDEWEB)

Gurler, O. [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey)], E-mail: ogurler@uludag.edu.tr; Oz, H. [Physics Department, Faculty of Arts and Sciences, Uludag University, Gorukle Campus, 16059 Bursa (Turkey); Yalcin, S. [Education Faculty, Kastamonu University, 37200 Kastamonu (Turkey); Gundogdu, O. [Department of Physics, University of Surrey, Guildford GU2 7XH (United Kingdom); NCCPM, Medical Physics, Royal Surrey County Hospital, GU2 7XX (United Kingdom)

2009-01-15

The mass energy absorption, the mass energy transfer and mass absorption coefficients have been widely used for problems and applications involving dose calculations. Direct measurements of the coefficients are difficult, and theoretical computations are usually employed. In this paper, analytical equations are presented for determining the mass energy transfer and mass absorption coefficients for gamma rays with an incident energy range between 0.4 and 10 MeV in nitrogen, silicon, carbon, copper and sodium iodide. The mass absorption and mass energy transfer coefficients for gamma rays were calculated, and the results obtained were compared with the values reported in the literature.

Mass absorption and mass energy transfer coefficients for 0.4-10 MeV gamma rays in elemental solids and gases

International Nuclear Information System (INIS)

Gurler, O.; Oz, H.; Yalcin, S.; Gundogdu, O.

2009-01-01

The mass energy absorption, the mass energy transfer and mass absorption coefficients have been widely used for problems and applications involving dose calculations. Direct measurements of the coefficients are difficult, and theoretical computations are usually employed. In this paper, analytical equations are presented for determining the mass energy transfer and mass absorption coefficients for gamma rays with an incident energy range between 0.4 and 10 MeV in nitrogen, silicon, carbon, copper and sodium iodide. The mass absorption and mass energy transfer coefficients for gamma rays were calculated, and the results obtained were compared with the values reported in the literature

Calculation of CWKB envelope in boson and fermion productions

International Nuclear Information System (INIS)

Biswas, S.; Chowdhury, I.

2007-01-01

We present the calculation of envelope of boson and of both low-and high-mass fermion production at the end of inflation when the coherently oscillating inflations decay into bosons and fermions. We consider three different models of inflation and use CWKB technique to calculate the envelope to understand the structure of resonance band formation. We observe that though low-mass fermion production is not effective in preheating because of Pauli blocking, it is quite probable for high-mass fermion to take part in pre heating. (author)

Comparative pulsation calculations with OP and OPAL opacities

Science.gov (United States)

Kanbur, Shashi M.; Simon, Norman R.

1994-01-01

Comparative linear nonadiabatic pulsation calculations are presented using the OPAL and Opacity Project opacities. The two sets of opacities include effects due to intermediate coupling and fine structure as well as new abundances. We used two mass luminosity (M-L) relations, one standard (BIT), and one employing substantial convective core overshoot (COV). The two sets of opacities cannot be differentiated on the basis of the stellar pulsation calculations presented here. The BIT relation can model the beat and bump Cepheids with masses between 4 and 7 solar mass, while if the overshoot relation is used, masses between 2 and 6 solar mass are required. In the RR Lyrae regime, we find the inferred masses of globular cluster RRd stars to be little influenced by the choice of OPAL or OP. Finally, the limited modeling we have done is not able to constrain the Cepheid M-L relation based upon period ratios observed in the beat and bump stars.

Precursors predicted by artificial neural networks for mass balance calculations: Quantifying hydrothermal alteration in volcanic rocks

Science.gov (United States)

Trépanier, Sylvain; Mathieu, Lucie; Daigneault, Réal; Faure, Stéphane

2016-04-01

This study proposes an artificial neural networks-based method for predicting the unaltered (precursor) chemical compositions of hydrothermally altered volcanic rock. The method aims at predicting precursor's major components contents (SiO2, FeOT, MgO, CaO, Na2O, and K2O). The prediction is based on ratios of elements generally immobile during alteration processes; i.e. Zr, TiO2, Al2O3, Y, Nb, Th, and Cr, which are provided as inputs to the neural networks. Multi-layer perceptron neural networks were trained on a large dataset of least-altered volcanic rock samples that document a wide range of volcanic rock types, tectonic settings and ages. The precursors thus predicted are then used to perform mass balance calculations. Various statistics were calculated to validate the predictions of precursors' major components, which indicate that, overall, the predictions are precise and accurate. For example, rank-based correlation coefficients were calculated to compare predicted and analysed values from a least-altered test dataset that had not been used to train the networks. Coefficients over 0.87 were obtained for all components, except for Na2O (0.77), indicating that predictions for alkali might be less performant. Also, predictions are performant for most volcanic rock compositions, except for ultra-K rocks. The proposed method provides an easy and rapid solution to the often difficult task of determining appropriate volcanic precursor compositions to rocks modified by hydrothermal alteration. It is intended for large volcanic rock databases and is most useful, for example, to mineral exploration performed in complex or poorly known volcanic settings. The method is implemented as a simple C++ console program.

Critical Masses for Unreflected Metal Spheres

International Nuclear Information System (INIS)

Westfall, Robert Michael; Wright, Richard Q.

2009-01-01

Calculated critical masses of bare metal spheres for 28 actinide isotopes, using the SCALE/XSDRNPM one-dimensional, discrete-ordinates system, are presented. ENDF/B-VI, ENDF/B-VII, and JENDL-3.3 cross sections were used in the calculations. Results are given for isotopes of uranium, neptunium, plutonium, americium, curium, californium, and for one isotope of einsteinium. Calculated k values for these same nuclides are also given. We show that, for non-threshold or low-threshold fission nuclides, a good approximation for the nuclide k is the value of nubar at 1 MeV. A plot of the critical mass versus k values is given for 19 nuclides with A-numbers between 232 and 250. The peaks in the critical mass curve (for seven nuclides) correspond to dips in the k curve. For the seven cases with the largest critical mass, six are even-even nuclides. Neptunium-237, with a critical mass of about 62.7 kg (ENDF/B-VI calculation), has an odd number of protons and an even number of neutrons. However, two cases with quite small critical masses, 232U and 236Pu, are also even-even. These two nuclides do not exhibit threshold fission behavior like most other even-even nuclides. The largest critical mass is 208.8 kg for 243Am and the smallest is 2.44 kg for 251Cf. The calculated k values vary from 1.5022 for 234U to 4.4767 for 251Cf. A correlation between the calculated critical mass (kg) and the fission spectrum averaged value of is given for the elements U, Np, Pu, Am, Cm, and Cf. For each of the five elements, a fit to the data for that element is provided. In each case the fit employs a negative exponential of the form mass = exp(A + B ∼ ln). The values of A and B are element dependent and vary slightly for each of the five elements. The method described here is mainly applicable for non-threshold fission nuclides (15 of the 28 nuclides considered in this paper). There are three exceptions, 238Pu, 244Cm, and 250Cf, which all exhibit threshold fission behavior.

Clusters of galaxies compared with N-body simulations: masses and mass segregation

International Nuclear Information System (INIS)

Struble, M.F.; Bludman, S.A.

1979-01-01

With three virially stable N-body simulations of Wielen, it is shown that use of the expression for the total mass derived from averaged quantities (velocity dispersion and mean harmonic radius) yields an overestimate of the mass by as much as a factor of 2-3, and use of the heaviest mass sample gives an underestimate by a factor of 2-3. The estimate of the mass using mass weighted quantities (i.e., derived from the customary definition of kinetic and potential energies) yields a better value irrespectively of mass sample as applied to late time intervals of the models (>= three two-body relaxation times). The uncertainty is at most approximately 50%. This suggests that it is better to employ the mass weighted expression for the mass when determining cluster masses. The virial ratio, which is a ratio of the mass weighted/averaged expression for the potential energy, is found to vary between 1 and 2. It is concluded that ratios for observed clusters approximately 4-10 cannot be explained even by the imprecision of the expression for the mass using averaged quantities, and certainly implies the presence of unseen matter. Total masses via customary application of the virial theorem are calculated for 39 clusters, and total masses for 12 clusters are calculated by a variant of the usual application. The distribution of cluster masses is also presented and briefly discussed. Mass segregation in Wielen's models is studied in terms of the binding energy per unit mass of the 'heavy' sample compared with the 'light' sample. The general absence of mass segregation in relaxaed clusters and the large virial discrepancies are attributed to a population of many low-mass objects that may constitute the bulk mass of clusters of galaxies. (Auth.)

A quantitative evaluation of the reliability of calculated decay properties of nuclei in the mass region of A=24-28

International Nuclear Information System (INIS)

Timmer, G.A.; Meurders, F.; Brussaard, P.J.; Hienen, J.F.A. van

1978-01-01

Electromagnetic transition rates and log ft values were calculated for transitions between positive-parity states in the A=24-28 mass region. The wave functions used were taken from a previous paper. In general we found satisfactory agreement with experiment. In order to have a measure of the stability of the results against changes in the Hamiltonian a method was developed for assigning errors to calculated transition properties. The renormalized single-particle matrix elements of the E2 and M1 transition operators were determined in a phenomenological way. To this end use was made of the errors just mentioned. It was found that good agreement was obtained with bare-nucleon M1 single-particle matrix elements and a state independent effective isoscalar charge for the E2 operator. Predictions for static moments are given. (orig.) [de

Calculation approaches for grid usage fees to influence the load curve in the distribution grid level

International Nuclear Information System (INIS)

Illing, Bjoern

2014-01-01

Dominated by the energy policy the decentralized German energy market is changing. One mature target of the government is to increase the contribution of renewable generation to the gross electricity consumption. In order to achieve this target disadvantages like an increased need for capacity management occurs. Load reduction and variable grid fees offer the grid operator solutions to realize capacity management by influencing the load profile. The evolution of the current grid fees towards more causality is required to adapt these approaches. Two calculation approaches are developed in this assignment. On the one hand multivariable grid fees keeping the current components demand and energy charge. Additional to the grid costs grid load dependent parameters like the amount of decentralized feed-ins, time and local circumstances as well as grid capacities are considered. On the other hand the grid fee flat-rate which represents a demand based model on a monthly level. Both approaches are designed to meet the criteria for future grid fees. By means of a case study the effects of the grid fees on the load profile at the low voltage grid is simulated. Thereby the consumption is represented by different behaviour models and the results are scaled at the benchmark grid area. The resulting load curve is analyzed concerning the effects of peak load reduction as well as the integration of renewable energy sources. Additionally the combined effect of grid fees and electricity tariffs is evaluated. Finally the work discusses the launching of grid fees in the tense atmosphere of politics, legislation and grid operation. Results of this work are two calculation approaches designed for grid operators to define the grid fees. Multivariable grid fees are based on the current calculation scheme. Hereby demand and energy charges are weighted by time, locational and load related dependencies. The grid fee flat-rate defines a limitation in demand extraction. Different demand levels

Abs-initio, Predictive Calculations for Optoelectronic and Advanced Materials Research

Science.gov (United States)

Bagayoko, Diola

2010-10-01

Most density functional theory (DFT) calculations find band gaps that are 30-50 percent smaller than the experimental ones. Some explanations of this serious underestimation by theory include self-interaction and the derivative discontinuity of the exchange correlation energy. Several approaches have been developed in the search for a solution to this problem. Most of them entail some modification of DFT potentials. The Green function and screened Coulomb approximation (GWA) is a non-DFT formalism that has led to some improvements. Despite these efforts, the underestimation problem has mostly persisted in the literature. Using the Rayleigh theorem, we describe a basis set and variational effect inherently associated with calculations that employ a linear combination of atomic orbitals (LCAO) in a variational approach of the Rayleigh-Ritz type. This description concomitantly shows a source of large underestimation errors in calculated band gaps, i.e., an often dramatic lowering of some unoccupied energies on account of the Rayleigh theorem as opposed to a physical interaction. We present the Bagayoko, Zhao, and Williams (BZW) method [Phys. Rev. B 60, 1563 (1999); PRB 74, 245214 (2006); and J. Appl. Phys. 103, 096101 (2008)] that systematically avoids this effect and leads (a) to DFT and LDA calculated band gaps of semiconductors in agreement with experiment and (b) theoretical predictions of band gaps that are confirmed by experiment. Unlike most calculations, BZW computations solve, self-consistently, a system of two coupled equations. DFT-BZW calculated effective masses and optical properties (dielectric functions) also agree with measurements. We illustrate ten years of success of the BZW method with its results for GaN, C, Si, 3C-SIC, 4H-SiC, ZnO, AlAs, Ge, ZnSe, w-InN, c-InN, InAs, CdS, AlN and nanostructures. We conclude with potential applications of the BZW method in optoelectronic and advanced materials research.

Some mass measurement problems

International Nuclear Information System (INIS)

Merritt, J.S.

1976-01-01

Concerning the problem of determining the thickness of a target, an uncomplicated approach is to measure its mass and area and take the quotient. This paper examines the mass measurement aspect of such an approach. (author)

Unsteady force estimation using a Lagrangian drift-volume approach

Science.gov (United States)

McPhaden, Cameron J.; Rival, David E.

2018-04-01

A novel Lagrangian force estimation technique for unsteady fluid flows has been developed, using the concept of a Darwinian drift volume to measure unsteady forces on accelerating bodies. The construct of added mass in viscous flows, calculated from a series of drift volumes, is used to calculate the reaction force on an accelerating circular flat plate, containing highly-separated, vortical flow. The net displacement of fluid contained within the drift volumes is, through Darwin's drift-volume added-mass proposition, equal to the added mass of the plate and provides the reaction force of the fluid on the body. The resultant unsteady force estimates from the proposed technique are shown to align with the measured drag force associated with a rapid acceleration. The critical aspects of understanding unsteady flows, relating to peak and time-resolved forces, often lie within the acceleration phase of the motions, which are well-captured by the drift-volume approach. Therefore, this Lagrangian added-mass estimation technique opens the door to fluid-dynamic analyses in areas that, until now, were inaccessible by conventional means.

Nuclear mass formulas and its application for astrophysics

International Nuclear Information System (INIS)

Koura, Hiroyuki

2003-01-01

Some nuclear mass formulae are reviewed and applied for the calculation of the rapid neutron-capture-process (r-process) nucleosynthesis. A new mass formula composed of the gross term, the even-odd term, and the shell term is also presented. The new mass formula is a revised version of the spherical basis mass formula published in 2001, that is, the even-odd term is treated more carefully, and a considerable improvement is brought about. The root-mean-square deviation of the new formula from experimental masses is 641 keV for Z ≥ 8 and N ≥ 8. Properties on systematic of the neutron-separation energy is compared with some mass formulas. The calculated abundances of the r-process from different mass formulae are compared with use of a simple reaction model, and the relation between the calculated abundances and the corresponding masses are discussed. Furthermore, fission barriers for the superheavy and neutron-rich nuclei are also applied for the endpoint of the r-process. (author)

Calculating the effective delayed neutron fraction in the Molten Salt Fast Reactor: Analytical, deterministic and Monte Carlo approaches

International Nuclear Information System (INIS)

Aufiero, Manuele; Brovchenko, Mariya; Cammi, Antonio; Clifford, Ivor; Geoffroy, Olivier; Heuer, Daniel; Laureau, Axel; Losa, Mario; Luzzi, Lelio; Merle-Lucotte, Elsa; Ricotti, Marco E.; Rouch, Hervé

2014-01-01

Highlights: • Calculation of effective delayed neutron fraction in circulating-fuel reactors. • Extension of the Monte Carlo SERPENT-2 code for delayed neutron precursor tracking. • Forward and adjoint multi-group diffusion eigenvalue problems in OpenFOAM. • Analytical approach for β eff calculation in simple geometries and flow conditions. • Good agreement among the three proposed approaches in the MSFR test-case. - Abstract: This paper deals with the calculation of the effective delayed neutron fraction (β eff ) in circulating-fuel nuclear reactors. The Molten Salt Fast Reactor is adopted as test case for the comparison of the analytical, deterministic and Monte Carlo methods presented. The Monte Carlo code SERPENT-2 has been extended to allow for delayed neutron precursors drift, according to the fuel velocity field. The forward and adjoint eigenvalue multi-group diffusion problems are implemented and solved adopting the multi-physics tool-kit OpenFOAM, by taking into account the convective and turbulent diffusive terms in the precursors balance. These two approaches show good agreement in the whole range of the MSFR operating conditions. An analytical formula for the circulating-to-static conditions β eff correction factor is also derived under simple hypotheses, which explicitly takes into account the spatial dependence of the neutron importance. Its accuracy is assessed against Monte Carlo and deterministic results. The effects of in-core recirculation vortex and turbulent diffusion are finally analysed and discussed

Calculation of groundwater travel time

International Nuclear Information System (INIS)

Arnett, R.C.; Sagar, B.; Baca, R.G.

1984-12-01

Pre-waste-emplacement groundwater travel time is one indicator of the isolation capability of the geologic system surrounding a repository. Two distinct modeling approaches exist for prediction of groundwater flow paths and travel times from the repository location to the designated accessible environment boundary. These two approaches are: (1) the deterministic approach which calculates a single value prediction of groundwater travel time based on average values for input parameters and (2) the stochastic approach which yields a distribution of possible groundwater travel times as a function of the nature and magnitude of uncertainties in the model inputs. The purposes of this report are to (1) document the theoretical (i.e., mathematical) basis used to calculate groundwater pathlines and travel times in a basalt system, (2) outline limitations and ranges of applicability of the deterministic modeling approach, and (3) explain the motivation for the use of the stochastic modeling approach currently being used to predict groundwater pathlines and travel times for the Hanford Site. Example calculations of groundwater travel times are presented to highlight and compare the differences between the deterministic and stochastic modeling approaches. 28 refs

An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

Energy Technology Data Exchange (ETDEWEB)

Borges, A.; Solomon, G. C. [Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark)

2016-05-21

Single molecule conductance measurements are often interpreted through computational modeling, but the complexity of these calculations makes it difficult to directly link them to simpler concepts and models. Previous work has attempted to make this connection using maximally localized Wannier functions and symmetry adapted basis sets, but their use can be ambiguous and non-trivial. Starting from a Hamiltonian and overlap matrix written in a hydrogen-like basis set, we demonstrate a simple approach to obtain a new basis set that is chemically more intuitive and allows interpretation in terms of simple concepts and models. By diagonalizing the Hamiltonians corresponding to each atom in the molecule, we obtain a basis set that can be partitioned into pseudo-σ and −π and allows partitioning of the Landuaer-Büttiker transmission as well as create simple Hückel models that reproduce the key features of the full calculation. This method provides a link between complex calculations and simple concepts and models to provide intuition or extract parameters for more complex model systems.

40 CFR 1065.650 - Emission calculations.

Science.gov (United States)

2010-07-01

... field testing, you may calculate the ratio of total mass to total work, where these individual values... negative work rate values in the integration to calculate total work from that work path. Some work paths may result in a negative total work. Include negative total work values from any work path in the...

Multiple diagnostic approaches to palpable breast mass

Energy Technology Data Exchange (ETDEWEB)

Chin, Soo Yil; Kim, Kie Hwan; Moon, Nan Mo; Kim, Yong Kyu; Jang, Ja June [Korea Cancer Center Hospital, Seoul (Korea, Republic of)

1985-12-15

The combination of the various diagnostic methods of palpable breast mass has improved the diagnostic accuracy. From September 1983 to August 1985 pathologically proven 85 patients with palpable breast masses examined with x-ray mammography, ultrasonography, penumomammography and aspiration cytology at Korea Cancer Center Hospital were analyzed. The diagnostic accuracies of each methods were 77.6% of mammogram, 74.1% of ultrasonogram, 90.5% of penumomammogram and 92.4% of aspiration cytology. Pneumomammograms was accomplished without difficulty or complication and depicted more clearly delineated mass with various pathognomonic findings; air-ductal pattern in fibroadenoma (90.4%) and cystosarcoma phylloides (100%), air-halo in fibrocystic disease (14.2%), fibroadenoma (100%), cystosarcoma phylloides (100%), air-cystogram in cystic type of fibrocystic disease (100%) and vaculoar pattern or irregular air collection without retained peripheral gas in carcinoma.

Multiple diagnostic approaches to palpable breast mass

International Nuclear Information System (INIS)

Chin, Soo Yil; Kim, Kie Hwan; Moon, Nan Mo; Kim, Yong Kyu; Jang, Ja June

1985-01-01

The combination of the various diagnostic methods of palpable breast mass has improved the diagnostic accuracy. From September 1983 to August 1985 pathologically proven 85 patients with palpable breast masses examined with x-ray mammography, ultrasonography, penumomammography and aspiration cytology at Korea Cancer Center Hospital were analyzed. The diagnostic accuracies of each methods were 77.6% of mammogram, 74.1% of ultrasonogram, 90.5% of penumomammogram and 92.4% of aspiration cytology. Pneumomammograms was accomplished without difficulty or complication and depicted more clearly delineated mass with various pathognomonic findings; air-ductal pattern in fibroadenoma (90.4%) and cystosarcoma phylloides (100%), air-halo in fibrocystic disease (14.2%), fibroadenoma (100%), cystosarcoma phylloides (100%), air-cystogram in cystic type of fibrocystic disease (100%) and vaculoar pattern or irregular air collection without retained peripheral gas in carcinoma

Polaron binding energy and effective mass in the GaAs film

International Nuclear Information System (INIS)

Wu Zhenhua; Yan Liangxing; Tian Qiang; Li Hua; Liu Bingcan

2012-01-01

The binding energy and effective mass of a polaron in a GaAs film deposited on the Al 0.3 Ga 0.7 As substrate are studied theoretically by using the fractional-dimensional space approach. Our calculations show that the polaron binding energy and mass shift decrease monotonously with increasing the film thickness. For the film thicknesses with L w ≤ 70Å and the substrate thicknesses with L b ≤ 200Å, the different values of the substrate thickness influence the polaron binding energy and mass shift in the GaAs film. The polaron binding energy and mass shift increase monotonously with increasing the substrate thickness. For the film thickness with L w ≥ 70Å or the substrate thicknesses with L b ≤ 200Å, the different values of the substrate thickness have no significant influence on the polaron binding energy and mass shift in the GaAs film deposited on the Al 0.3 Ga 0.7 As substrate.

R-matrix calculations for few-quark bound states

International Nuclear Information System (INIS)

Shalchi, M.A.; Hadizadeh, M.R.

2016-01-01

The R-matrix method is implemented to study the heavy charm and bottom diquark, triquark, tetraquark, and pentaquarks in configuration space, as the bound states of quark-antiquark, diquark-quark, diquark-antidiquark, and diquark-antitriquark systems, respectively. The mass spectrum and the size of these systems are calculated for different partial wave channels. The calculated masses are compared with recent theoretical results obtained by other methods in momentum and configuration spaces and also by available experimental data. (orig.)

Use of border information in the classification of mammographic masses

International Nuclear Information System (INIS)

Varela, C; Timp, S; Karssemeijer, N

2006-01-01

We are developing a new method to characterize the margin of a mammographic mass lesion to improve the classification of benign and malignant masses. Towards this goal, we designed features that measure the degree of sharpness and microlobulation of mass margins. We calculated these features in a border region of the mass defined as a thin band along the mass contour. The importance of these features in the classification of benign and malignant masses was studied in relation to existing features used for mammographic mass detection. Features were divided into three groups, each representing a different mass segment: the interior region of a mass, the border and the outer area. The interior and the outer area of a mass were characterized using contrast and spiculation measures. Classification was done in two steps. First, features representing each of the three mass segments were merged into a neural network classifier resulting in a single regional classification score for each segment. Secondly, a classifier combined the three single scores into a final output to discriminate between benign and malignant lesions. We compared the classification performance of each regional classifier and the combined classifier on a data set of 1076 biopsy proved masses (590 malignant and 486 benign) from 481 women included in the Digital Database for Screening Mammography. Receiver operating characteristic (ROC) analysis was used to evaluate the accuracy of the classifiers. The area under the ROC curve (A z ) was 0.69 for the interior mass segment, 0.76 for the border segment and 0.75 for the outer mass segment. The performance of the combined classifier was 0.81 for image-based and 0.83 for case-based evaluation. These results show that the combination of information from different mass segments is an effective approach for computer-aided characterization of mammographic masses. An advantage of this approach is that it allows the assessment of the contribution of regions rather

Dynamical calculations of nuclear fission and heavy-ion reactions

International Nuclear Information System (INIS)

Nix, J.R.; Sierk, A.J.

1984-01-01

With the goal of determining the magnitude and mechanism of nuclear dissipation from comparisons of predictions with experimental data, we describe recent calculations in a unified macroscopic-microscopic approach to large-amplitude collective nuclear motion such as occurs in fission and heavy-ion reactions. We describe the time dependence of the distribution function in phase space of collective coordinates and momenta by a generalized Fokker-Planck equation. The nuclear potential energy of deformation is calculated as the sum of repulsive Coulomb and centrifugal energies and an attractive Yukawa-plus-exponential potential, the inertia tensor is calculated for a superposition of rigid-body rotation and incompressible, nearly irrotational flow by use of the Werner-Wheeler method, and the dissipation ensor that describes the conversion of collective energy into single-particle excitation energy is calculated for two prototype mechanisms that represent opposite extremes of large and small dissipation. We solve the generalized Hamilton equations of motion for the first moments of the distribution function to obtain the mean translational fission-fragment kinetic energy and mass of a third fragment that sometimes forms between the two end fragments, as well as dynamical thresholds, capture cross sections, and ternary events in heavy-ion reactions. 33 references

Capillary-HPLC with tandem mass spectrometry in analysis of alkaloid dyestuffs - a new approach.

Science.gov (United States)

Dąbrowski, Damian; Lech, Katarzyna; Jarosz, Maciej

2018-05-01

Development of the identification method of alkaloid compounds in Amur cork tree as well as not examined so far Oregon grape and European Barberry shrubs are presented. The novel approach to separation of alkaloids was applied and the capillary-high-performance liquid chromatography (capillary-HPLC) system was used, which has never previously been reported for alkaloid-based dyestuffs analysis. Its optimization was conducted with three different stationary phases (unmodified octadecylsilane-bonded silica, octadecylsilane modified with polar groups and silica-bonded pentaflourophenyls) as well as with different solvent buffers. Detection of the isolated compounds was carried out using diode-array detector (DAD) and tandem mass spectrometer with electrospray ionization (ESI MS/MS). The working parameters of ESI were optimized, whereas the multiple reactions monitoring (MRM) parameters of MS/MS detection were chosen based on the product ion spectra of the quasi-molecular ions. Calibration curve of berberine has been estimated (y = 1712091x + 4785.03 with the correlation coefficient 0.9999). Limit of detection and limit of quantification were calculated to be 3.2 and 9.7 ng/mL, respectively. Numerous alkaloids (i.e., berberine, jatrorrhizine and magnoflorine, as well as phellodendrine, menisperine and berbamine) were identified in the extracts from alkaloid plants and silk and wool fibers dyed with these dyestuffs, among them their markers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Total Mass of the Early-Type Galaxy NGC 4649 (M60

Directory of Open Access Journals (Sweden)

Ćirković, M. M.

2008-12-01

Full Text Available In this paper the problem of the total mass and the total mass-to-light ratio of the early-type galaxy NGC~4649 (M60 is analyzed. Use is made of two independent techniques: the X-ray methodology which is based on the temperature of the X-ray halo of NGC~4649 and the tracer mass estimator (TME which uses globular clusters (GCs observed in this galaxy. The mass is calculated in Newtonian and MOdified Newtonian Dynamics (MOND approaches and it is found that inside 3 effective radii ($R_e$ there is no need for large amounts of dark matter. Beyond $3R_e$ the dark matter starts to play important dynamical role. The possible reasons for the discrepancy between the estimates of the total mass based on X-rays and TME in the outer regions of NGC~4649 are also discussed.

Natural frequency extraction of a beam-moving mass system with periodic passages using its pseudo-natural frequencies

Energy Technology Data Exchange (ETDEWEB)

Ghorbani, Esmaeil; Keshmiri, Mehdi [Isfahan University of Technology, Isfahan (Iran, Islamic Republic of)

2016-07-15

Wind turbines, helicopters, and turbo-machineries' rotary motion, along with a variety of nonlinear structures linearized with their periodic limit cycles, may all contain time-periodic terms in their equations of motion even if the equations remain linear. The purpose of this study is to model these systems into a beam-moving mass system. Natural frequencies of the beam are calculated using past work in which pseudo-natural frequencies of a beam-moving mass system were extracted, followed by the homotopy perturbation method. The findings of this study are valuable to the industry, and they decrease error margin in resonance range assessment. This approach indicates that for beam-moving mass systems, extraction of natural frequencies that ignore the moving mass effect can lead to inaccurate results, whereas only a limited amount of physical data are needed obtain accurate calculations. Furthermore, this study used homotopy perturbation for operational modal analysis purposes and not for solving nonlinear equations.

Comparative analysis of calculation models of railway subgrade

Directory of Open Access Journals (Sweden)

I.O. Sviatko

2013-08-01

Full Text Available Purpose. In transport engineering structures design, the primary task is to determine the parameters of foundation soil and nuances of its work under loads. It is very important to determine the parameters of shear resistance and the parameters, determining the development of deep deformations in foundation soils, while calculating the soil subgrade - upper track structure interaction. Search for generalized numerical modeling methods of embankment foundation soil work that include not only the analysis of the foundation stress state but also of its deformed one. Methodology. The analysis of existing modern and classical methods of numerical simulation of soil samples under static load was made. Findings. According to traditional methods of analysis of ground masses work, limitation and the qualitative estimation of subgrade deformations is possible only indirectly, through the estimation of stress and comparison of received values with the boundary ones. Originality. A new computational model was proposed in which it will be applied not only classical approach analysis of the soil subgrade stress state, but deformed state will be also taken into account. Practical value. The analysis showed that for accurate analysis of ground masses work it is necessary to develop a generalized methodology for analyzing of the rolling stock - railway subgrade interaction, which will use not only the classical approach of analyzing the soil subgrade stress state, but also take into account its deformed one.

Statistical approach for calculating opacities of high-Z plasmas

International Nuclear Information System (INIS)

Nishikawa, Takeshi; Nakamura, Shinji; Takabe, Hideaki; Mima, Kunioki

1992-01-01

For simulating the X-ray radiation from laser produced high-Z plasma, an appropriate atomic modeling is necessary. Based on the average ion model, we have used a rather simple atomic model for opacity calculation in a hydrodynamic code and obtained a fairly good agreement with the experiment on the X-ray spectra from the laser-produced plasmas. We have investigated the accuracy of the atomic model used in the hydrodynamic code. It is found that transition energies of 4p-4d, 4d-4f, 4p-5d, 4d-5f and 4f-5g, which are important in laser produced high-Z plasma, can be given within an error of 15 % compared to the values by the Hartree-Fock-Slater (HFS) calculation and their oscillator strengths obtained by HFS calculation vary by a factor two according to the difference of charge state. We also propose a statistical method to carry out detail configuration accounting for electronic state by use of the population of bound electrons calculated with the average ion model. The statistical method is relatively simple and provides much improvement in calculating spectral opacities of line radiation, when we use the average ion model to determine electronic state. (author)

Mass Spectrometry-based Approaches to Understand the Molecular Basis of Memory

Directory of Open Access Journals (Sweden)

Arthur Henriques Pontes

2016-10-01

Full Text Available The central nervous system is responsible for an array of cognitive functions such as memory, learning, language and attention. These processes tend to take place in distinct brain regions; yet, they need to be integrated to give rise to adaptive or meaningful behavior. Since cognitive processes result from underlying cellular and molecular changes, genomics and transcriptomics assays have been applied to human and animal models to understand such events. Nevertheless, genes and RNAs are not the end products of most biological functions. In order to gain further insights toward the understanding of brain processes, the field of proteomics has been of increasing importance in the past years. Advancements in liquid chromatography-tandem mass spectrometry (LC-MS/MS have enable the identification and quantification of thousand of proteins with high accuracy and sensitivity, fostering a revolution in the neurosciences. Herein, we review the molecular bases of explicit memory in the hippocampus. We outline the principles of mass spectrometry (MS-based proteomics, highlighting the use of this analytical tool to study memory formation. In addition, we discuss MS-based targeted approaches as the future of protein analysis.

Calculation of point-contact spectra for a simple heavy-fermion Hamiltonian by two approaches. Comparison of results

International Nuclear Information System (INIS)

Kupka, M.; Farkasovsky, P.C.

1992-01-01

Point-contact spectra have been calculated for normal metal -heavy-fermion metal system (described by means of a simplified model Hamiltonian). Two approaches are used: one of them states that the differential conductance reflects an energy-dependent quasi-particle density of states, and 2. one drives the differential conductance are compared

Large scale calculations for hadron spectroscopy

International Nuclear Information System (INIS)

Rebbi, C.

1985-01-01

The talk reviews some recent Monte Carlo calculations for Quantum Chromodynamics, performed on Euclidean lattices of rather large extent. Purpose of the calculations is to provide accurate determinations of quantities, such as interquark potentials or mass eigenvalues, which are relevant for hadronic spectroscopy. Results obtained in quenched QCD on 16 3 x 32 lattices are illustrated, and a discussion of computational resources and techniques required for the calculations is presented. 18 refs.,3 figs., 2 tabs

Cost calculator methods for estimating casework time in child welfare services: A promising approach for use in implementation of evidence-based practices and other service innovations.

Science.gov (United States)

Holmes, Lisa; Landsverk, John; Ward, Harriet; Rolls-Reutz, Jennifer; Saldana, Lisa; Wulczyn, Fred; Chamberlain, Patricia

2014-04-01

Estimating costs in child welfare services is critical as new service models are incorporated into routine practice. This paper describes a unit costing estimation system developed in England (cost calculator) together with a pilot test of its utility in the United States where unit costs are routinely available for health services but not for child welfare services. The cost calculator approach uses a unified conceptual model that focuses on eight core child welfare processes. Comparison of these core processes in England and in four counties in the United States suggests that the underlying child welfare processes generated from England were perceived as very similar by child welfare staff in California county systems with some exceptions in the review and legal processes. Overall, the adaptation of the cost calculator for use in the United States child welfare systems appears promising. The paper also compares the cost calculator approach to the workload approach widely used in the United States and concludes that there are distinct differences between the two approaches with some possible advantages to the use of the cost calculator approach, especially in the use of this method for estimating child welfare costs in relation to the incorporation of evidence-based interventions into routine practice.

The eigenfunction method and the mass operator in intense-field quantum electrodynamics

International Nuclear Information System (INIS)

Ritus, V.I.

1987-01-01

A method is given for calculating radiation effects in constant intense-field quantum electrodynamics; this method is based on the use of the eigenfunctions of the mass operator and diagonalization of the latter. A compact expression is found for the eigenvalue of the mass operator of the electron in a random constant field together with the corresponding elastic scattering amplitude. The anomalous electric moment that arises in the field with a pseudoscalar EH not equal to O is found and investigated in detail together with the anomalous magnetic moment in the electrical field that approaches the double Schwinger value with an increase in the field together with the mass shift and the rate of decay of the ground state of the electron in the electrical field

Technical Note: A comparison of two empirical approaches to estimate in-stream net nutrient uptake

Science.gov (United States)

von Schiller, D.; Bernal, S.; Martí, E.

2011-04-01

To establish the relevance of in-stream processes on nutrient export at catchment scale it is important to accurately estimate whole-reach net nutrient uptake rates that consider both uptake and release processes. Two empirical approaches have been used in the literature to estimate these rates: (a) the mass balance approach, which considers changes in ambient nutrient loads corrected by groundwater inputs between two stream locations separated by a certain distance, and (b) the spiralling approach, which is based on the patterns of longitudinal variation in ambient nutrient concentrations along a reach following the nutrient spiralling concept. In this study, we compared the estimates of in-stream net nutrient uptake rates of nitrate (NO3) and ammonium (NH4) and the associated uncertainty obtained with these two approaches at different ambient conditions using a data set of monthly samplings in two contrasting stream reaches during two hydrological years. Overall, the rates calculated with the mass balance approach tended to be higher than those calculated with the spiralling approach only at high ambient nitrogen (N) concentrations. Uncertainty associated with these estimates also differed between both approaches, especially for NH4 due to the general lack of significant longitudinal patterns in concentration. The advantages and disadvantages of each of the approaches are discussed.

ESIprot: a universal tool for charge state determination and molecular weight calculation of proteins from electrospray ionization mass spectrometry data.

Science.gov (United States)

Winkler, Robert

2010-02-01

Electrospray ionization (ESI) ion trap mass spectrometers with relatively low resolution are frequently used for the analysis of natural products and peptides. Although ESI spectra of multiply charged protein molecules also can be measured on this type of devices, only average spectra are produced for the majority of naturally occurring proteins. Evaluating such ESI protein spectra would provide valuable information about the native state of investigated proteins. However, no suitable and freely available software could be found which allows the charge state determination and molecular weight calculation of single proteins from average ESI-MS data. Therefore, an algorithm based on standard deviation optimization (scatter minimization) was implemented for the analysis of protein ESI-MS data. The resulting software ESIprot was tested with ESI-MS data of six intact reference proteins between 12.4 and 66.7 kDa. In all cases, the correct charge states could be determined. The obtained absolute mass errors were in a range between -0.2 and 1.2 Da, the relative errors below 30 ppm. The possible mass accuracy allows for valid conclusions about the actual condition of proteins. Moreover, the ESIprot algorithm demonstrates an extraordinary robustness and allows spectral interpretation from as little as two peaks, given sufficient quality of the provided m/z data, without the necessity for peak intensity data. ESIprot is independent from the raw data format and the computer platform, making it a versatile tool for mass spectrometrists. The program code was released under the open-source GPLv3 license to support future developments of mass spectrometry software. Copyright 2010 John Wiley & Sons, Ltd.

Channel Capacity Calculation at Large SNR and Small Dispersion within Path-Integral Approach

Science.gov (United States)

Reznichenko, A. V.; Terekhov, I. S.

2018-04-01

We consider the optical fiber channel modelled by the nonlinear Shrödinger equation with additive white Gaussian noise. Using Feynman path-integral approach for the model with small dispersion we find the first nonzero corrections to the conditional probability density function and the channel capacity estimations at large signal-to-noise ratio. We demonstrate that the correction to the channel capacity in small dimensionless dispersion parameter is quadratic and positive therefore increasing the earlier calculated capacity for a nondispersive nonlinear optical fiber channel in the intermediate power region. Also for small dispersion case we find the analytical expressions for simple correlators of the output signals in our noisy channel.

New approaches for metabolomics by mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Vertes, Akos [George Washington Univ., Washington, DC (United States)

2017-07-10

Small molecules constitute a large part of the world around us, including fossil and some renewable energy sources. Solar energy harvested by plants and bacteria is converted into energy rich small molecules on a massive scale. Some of the worst contaminants of the environment and compounds of interest for national security also fall in the category of small molecules. The development of large scale metabolomic analysis methods lags behind the state of the art established for genomics and proteomics. This is commonly attributed to the diversity of molecular classes included in a metabolome. Unlike nucleic acids and proteins, metabolites do not have standard building blocks, and, as a result, their molecular properties exhibit a wide spectrum. This impedes the development of dedicated separation and spectroscopic methods. Mass spectrometry (MS) is a strong contender in the quest for a quantitative analytical tool with extensive metabolite coverage. Although various MS-based techniques are emerging for metabolomics, many of these approaches include extensive sample preparation that make large scale studies resource intensive and slow. New ionization methods are redefining the range of analytical problems that can be solved using MS. This project developed new approaches for the direct analysis of small molecules in unprocessed samples, as well as pushed the limits of ultratrace analysis in volume limited complex samples. The projects resulted in techniques that enabled metabolomics investigations with enhanced molecular coverage, as well as the study of cellular response to stimuli on a single cell level. Effectively individual cells became reaction vessels, where we followed the response of a complex biological system to external perturbation. We established two new analytical platforms for the direct study of metabolic changes in cells and tissues following external perturbation. For this purpose we developed a novel technique, laser ablation electrospray

A comprehensive high-resolution mass spectrometry approach for characterization of metabolites by combination of ambient ionization, chromatography and imaging methods.

Science.gov (United States)

Berisha, Arton; Dold, Sebastian; Guenther, Sabine; Desbenoit, Nicolas; Takats, Zoltan; Spengler, Bernhard; Römpp, Andreas

2014-08-30

An ideal method for bioanalytical applications would deliver spatially resolved quantitative information in real time and without sample preparation. In reality these requirements can typically not be met by a single analytical technique. Therefore, we combine different mass spectrometry approaches: chromatographic separation, ambient ionization and imaging techniques, in order to obtain comprehensive information about metabolites in complex biological samples. Samples were analyzed by laser desorption followed by electrospray ionization (LD-ESI) as an ambient ionization technique, by matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging for spatial distribution analysis and by high-performance liquid chromatography/electrospray ionization mass spectrometry (HPLC/ESI-MS) for quantitation and validation of compound identification. All MS data were acquired with high mass resolution and accurate mass (using orbital trapping and ion cyclotron resonance mass spectrometers). Grape berries were analyzed and evaluated in detail, whereas wheat seeds and mouse brain tissue were analyzed in proof-of-concept experiments. In situ measurements by LD-ESI without any sample preparation allowed for fast screening of plant metabolites on the grape surface. MALDI imaging of grape cross sections at 20 µm pixel size revealed the detailed distribution of metabolites which were in accordance with their biological function. HPLC/ESI-MS was used to quantify 13 anthocyanin species as well as to separate and identify isomeric compounds. A total of 41 metabolites (amino acids, carbohydrates, anthocyanins) were identified with all three approaches. Mass accuracy for all MS measurements was better than 2 ppm (root mean square error). The combined approach provides fast screening capabilities, spatial distribution information and the possibility to quantify metabolites. Accurate mass measurements proved to be critical in order to reliably combine data from different MS

Classical Electrodynamics Coupled to Quantum Mechanics for Calculation of Molecular Optical Properties: a RT-TDDFT/FDTD Approach

Energy Technology Data Exchange (ETDEWEB)

Chen, Hanning; McMahon, J. M.; Ratner, Mark A.; Schatz, George C.

2010-09-02

A new multiscale computational methodology was developed to effectively incorporate the scattered electric field of a plasmonic nanoparticle into a quantum mechanical (QM) optical property calculation for a nearby dye molecule. For a given location of the dye molecule with respect to the nanoparticle, a frequency-dependent scattering response function was first determined by the classical electrodynamics (ED) finite-difference time-domain (FDTD) approach. Subsequently, the time-dependent scattered electric field at the dye molecule was calculated using the FDTD scattering response function through a multidimensional Fourier transform to reflect the effect of polarization of the nanoparticle on the local field at the molecule. Finally, a real-time time-dependent density function theory (RT-TDDFT) approach was employed to obtain a desired optical property (such as absorption cross section) of the dye molecule in the presence of the nanoparticle’s scattered electric field. Our hybrid QM/ED methodology was demonstrated by investigating the absorption spectrum of the N3 dye molecule and the Raman spectrum of pyridine, both of which were shown to be significantly enhanced by a 20 nm diameter silver sphere. In contrast to traditional quantum mechanical optical calculations in which the field at the molecule is entirely determined by intensity and polarization direction of the incident light, in this work we show that the light propagation direction as well as polarization and intensity are important to nanoparticle-bound dye molecule response. At no additional computation cost compared to conventional ED and QM calculations, this method provides a reliable way to couple the response of the dye molecule’s individual electrons to the collective dielectric response of the nanoparticle.

On the Effect of the Cosmological Expansion on the Gravitational Lensing by a Point Mass

Directory of Open Access Journals (Sweden)

Oliver F. Piattella

2016-10-01

Full Text Available We analyse the effect of the cosmological expansion on the deflection of light caused by a point mass, adopting the McVittie metric as the geometrical description of a point-like lens embedded in an expanding universe. In the case of a generic, non-constant Hubble parameter, H, we derive and approximately solve the null geodesic equations, finding an expression for the bending angle δ, which we expand in powers of the mass-to-closest approach distance ratio and of the impact parameter-to-lens distance ratio. It turns out that the leading order of the aforementioned expansion is the same as the one calculated for the Schwarzschild metric and that cosmological corrections contribute to δ only at sub-dominant orders. We explicitly calculate these cosmological corrections for the case of the H constant and find that they provide a correction of order 10−11 on the lens mass estimate.

Superconductivity. Quasiparticle mass enhancement approaching optimal doping in a high-T(c) superconductor.

Science.gov (United States)

Ramshaw, B J; Sebastian, S E; McDonald, R D; Day, James; Tan, B S; Zhu, Z; Betts, J B; Liang, Ruixing; Bonn, D A; Hardy, W N; Harrison, N

2015-04-17

In the quest for superconductors with higher transition temperatures (T(c)), one emerging motif is that electronic interactions favorable for superconductivity can be enhanced by fluctuations of a broken-symmetry phase. Recent experiments have suggested the existence of the requisite broken-symmetry phase in the high-T(c) cuprates, but the impact of such a phase on the ground-state electronic interactions has remained unclear. We used magnetic fields exceeding 90 tesla to access the underlying metallic state of the cuprate YBa2Cu3O(6+δ) over a wide range of doping, and observed magnetic quantum oscillations that reveal a strong enhancement of the quasiparticle effective mass toward optimal doping. This mass enhancement results from increasing electronic interactions approaching optimal doping, and suggests a quantum critical point at a hole doping of p(crit) ≈ 0.18. Copyright © 2015, American Association for the Advancement of Science.

On the mass of rotating stars in Newtonian gravity and GR

International Nuclear Information System (INIS)

Reina, Borja; Vera, Raül

2016-01-01

We show how the correction to the calculation of the mass in the original relativistic model of a rotating star by Hartle (1967 Astrophys. J. 150 1005–29), found recently by Reina and Vera (2015 Class. Quantum Grav. 32 155008), appears in the Newtonian limit, and that the correcting term is indeed present, albeit hidden, in the original Newtonian approach by Chandrasekhar (1933 Mon. Not. Roy. Astr. Soc. 93 390–406). (note)

Multiplatform Mass Spectrometry-Based Approach Identifies Extracellular Glycolipids of the Yeast Rhodotorula babjevae UCDFST 04-877.

Science.gov (United States)

Cajka, Tomas; Garay, Luis A; Sitepu, Irnayuli R; Boundy-Mills, Kyria L; Fiehn, Oliver

2016-10-28

A multiplatform mass spectrometry-based approach was used for elucidating extracellular lipids with biosurfactant properties produced by the oleaginous yeast Rhodotorula babjevae UCDFST 04-877. This strain secreted 8.6 ± 0.1 g/L extracellular lipids when grown in a benchtop bioreactor fed with 100 g/L glucose in medium without addition of hydrophobic substrate, such as oleic acid. Untargeted reversed-phase liquid chromatography-quadrupole/time-of-flight mass spectrometry (QTOFMS) detected native glycolipid molecules with masses of 574-716 Da. After hydrolysis into the fatty acid and sugar components and hydrophilic interaction chromatography-QTOFMS analysis, the extracellular lipids were found to consist of hydroxy fatty acids and sugar alcohols. Derivatization and chiral separation gas chromatography-mass spectrometry (GC-MS) identified these components as d-arabitol, d-mannitol, (R)-3-hydroxymyristate, (R)-3-hydroxypalmitate, and (R)-3-hydroxystearate. In order to assemble these substructures back into intact glycolipids that were detected in the initial screen, potential structures were in-silico acetylated to match the observed molar masses and subsequently characterized by matching predicted and observed MS/MS fragmentation using the Mass Frontier software program. Eleven species of acetylated sugar alcohol esters of hydroxy fatty acids were characterized for this yeast strain.

Leading-order calculation of hadronic contributions to the Muon g-2 using the Dyson-Schwinger approach

Science.gov (United States)

Goecke, Tobias; Fischer, Christian S.; Williams, Richard

2011-10-01

We present a calculation of the hadronic vacuum polarisation (HVP) tensor within the framework of Dyson-Schwinger equations. To this end we use a well-established phenomenological model for the quark-gluon interaction with parameters fixed to reproduce hadronic observables. From the HVP tensor we compute both the Adler function and the HVP contribution to the anomalous magnetic moment of the muon, aμ. We find aμHVP = 6760 ×10-11 which deviates about two percent from the value extracted from experiment. Additionally, we make comparison with a recent lattice determination of aμHVP and find good agreement within our approach. We also discuss the implications of our result for a corresponding calculation of the hadronic light-by-light scattering contribution to aμ.

Leading-order calculation of hadronic contributions to the Muon g-2 using the Dyson-Schwinger approach

International Nuclear Information System (INIS)

Goecke, Tobias; Fischer, Christian S.; Williams, Richard

2011-01-01

We present a calculation of the hadronic vacuum polarisation (HVP) tensor within the framework of Dyson-Schwinger equations. To this end we use a well-established phenomenological model for the quark-gluon interaction with parameters fixed to reproduce hadronic observables. From the HVP tensor we compute both the Adler function and the HVP contribution to the anomalous magnetic moment of the muon, a μ . We find a μ HVP =6760x10 -11 which deviates about two percent from the value extracted from experiment. Additionally, we make comparison with a recent lattice determination of a μ HVP and find good agreement within our approach. We also discuss the implications of our result for a corresponding calculation of the hadronic light-by-light scattering contribution to a μ .

Calculation of the protons stopping power in water using dielectric formalism in the MELF-GOS approach

International Nuclear Information System (INIS)

Ribeiro, Franciane; Mazer, Amanda Cristina; Hormaza, Joel Mesa

2016-01-01

In order to calculate the stopping power of protons, there are many very successful models at high energies, which are extrapolated to low-energy regions. From the point of view of application of proton beam in cancer treatment is just this low energy region the most relevant due to the dose deposition profile in depth for protons. In this work, we present a calculation of the stopping power of protons in a water target using the dielectric formalism in MELF-GOS approach. The results when compared to other models show good agreement for energies above 100 keV and lower values below this energy. This result should impact the range of values of protons and the Bragg peak position. (author)

ORIGEN2 calculations supporting TRIGA irradiated fuel data package

Energy Technology Data Exchange (ETDEWEB)

Schmittroth, F.A.

1996-09-20

ORIGEN2 calculations were performed for TRIGA spent fuel elements from the Hanford Neutron Radiography Facility. The calculations support storage and disposal and results include mass, activity,and decay heat. Comparisons with underwater dose-rate measurements were used to confirm and adjust the calculations.

Propagation calculation for reactor cases

Energy Technology Data Exchange (ETDEWEB)

Yang Yanhua [School of Power and Energy Engineering, Shanghai Jiao Tong Univ., Shanghai (China); Moriyama, K.; Maruyama, Y.; Nakamura, H.; Hashimoto, K. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

2000-11-01

The propagation of steam explosion for real reactor geometry and conditions are investigated by using the computer code JASMINE-pro. The ex-vessel steam explosion is considered, which is described as follow: during the accident of reactor core meltdown, the molten core melts a hole at the bottom of reactor vessel and causes the higher temperature core fuel being leaked into the water pool below reactor vessel. During the melt-water mixing interaction process, the high temperature melt evaporates the cool water at an extreme high rate and might induce a steam explosion. A steam explosion could experience first the premixing phase and then the propagation explosion phase. For a propagation calculation, we should know the information about the initial fragmentation time, the total melt mass, premixing region size, initial void fraction and distribution of the melt volume fraction, and so on. All the initial conditions used in this calculation are based on analyses from some simple assumptions and the observation from the experiments. The results show that the most important parameter for the initial condition of this phase is the total mass and its initial distribution. This gives the requirement for a premixing calculation. On the other hand, for higher melt volume fraction case, the fragmentation is strong so that the local pressure can exceed over the EOS maximum pressure of the code, which lead to the incorrect calculation or divergence of the calculation. (Suetake, M.)

The extra-atmospheric masses of small meteoric fireballs from the Prairie and the Canadian camera networks.

Science.gov (United States)

Popelenskaya, N.

2007-08-01

Existing methods of definition of extra-atmospheric masses of small meteoric bodies according to supervision of their movement in an atmosphere contain the certain arbitrariness. Vigorous attempts to overcome a divergence of results of calculations on the basis of various approaches often lead to physically incorrect conclusions. The output consists in patient accumulation of estimations and calculations for gradual elimination uncertainties. The equations of meteoric physics include two dimensionless parameters - factor ablation ? and factor of braking ?. In work are cited the data processing supervision of small meteors Prairie and Canadian networks, by a finding of values of parameters ? and ? with use of a method of the least squares. Also values of heights blackout a meteor which turn out from conditions of full destruction or final braking with use of the received values of ? and ? are considered. In prevailing number of supervision for considered meteors braking is insignificant. Results of calculations of height of blackout meteors confirm suitability of the approximations used in work for the description of movement of small meteors. In work results of calculation of extra-atmospheric masses with use of factor of braking for meteoric bodies of the spherical form with density of an ice and a stone are presented. On the basis of the received results discrepancy of photometric masses to values of masses of the input, received on observable braking proves to be true. In most cases received magnitude of masses essentially less photometric masses. Processing of supervision of small meteors Prairie and Canadian camera networks has shown, that the so-called photometric mass mismatches values of mass of the input, defined on observable braking. Acceptance of photometric value as the mass defining braking of a body, leads to obviously underestimated values of density of substance meteoric body. The further researches on specification of interpretation of supervision

Design of pulsed perforated-plate columns for industrial scale mass transfer applications - present experience and the need for a model based approach

International Nuclear Information System (INIS)

Roy, Amitava

2010-01-01

Mass transfer is a vital unit operation in the processing of spent nuclear fuel in the backend of closed fuel cycle and Pulsed perforated plate extraction columns are used as mass transfer device for more than five decades. The pulsed perforated plate column is an agitated differential contactor, which has wide applicability due to its simplicity, high mass transfer efficiency, high through put, suitability for maintenance free remote operation, ease of cleaning/decontamination and cost effectiveness. Design of pulsed columns are based on a model proposed to describe the hydrodynamics and mass transfer. In equilibrium stage model, the HETS values are obtained from pilot plant experiments and then scaled empirically to design columns for industrial application. The dispersion model accounts for mass transfer kinetics and back-mixing. The drop population balance model can describe complex hydrodynamics of dispersed phase, that is, drop formation, break-up and drop-to-drop interactions. In recent years, significant progress has been made to model pulsed columns using CFD, which provides complete mathematical description of hydrodynamics in terms of spatial distribution of flow fields and 3D visualization. Under the condition of pulsation, the poly-dispersed nature of turbulent droplet swarm renders modeling difficult. In the absence of industry acceptance of proposed models, the conventional chemical engineering practice is to use HETS-NTS concept or HTU-NTU approach to design extraction columns. The practicability of HTU-NTU approach has some limitations due to the lack of experimental data on individual film mass transfer coefficients. Presently, the HETS-NTS concept has been used for designing the columns, which has given satisfactory performance. The design objective is mainly to arrive at the diameter and height of the mass transfer section for a specific plate geometry, fluid properties and pulsing condition to meet the intended throughput (capacity) and mass

Rapid assay of resveratrol in red wine by paper spray tandem mass spectrometry and isotope dilution.

Science.gov (United States)

Di Donna, Leonardo; Taverna, Domenico; Indelicato, Serena; Napoli, Anna; Sindona, Giovanni; Mazzotti, Fabio

2017-08-15

A rapid analytical approach for the assay of resveratrol in red wines, based on Paper Spray Mass Spectrometry (PS-MS) and Multiple Reaction Monitoring (MRM) is described. The assay involves the use of the stable isotope dilution method. The analytical parameters calculated analyzing fortified samples confirm the reliability of the proposed approach, with accuracy values about 100%, and LOD and LOQ values calculated at 0.5 and 0.8μg/mL, respectively. Furthermore, both the recovery, which was quantitative for the analyte, and the reproducibility (RSD%), checked on different days on the same wine, always below 7%, highlighted the consistency of the methodology. Copyright © 2017 Elsevier Ltd. All rights reserved.

Monte Carlo alpha calculation

Energy Technology Data Exchange (ETDEWEB)

Brockway, D.; Soran, P.; Whalen, P.

1985-01-01

A Monte Carlo algorithm to efficiently calculate static alpha eigenvalues, N = ne/sup ..cap alpha..t/, for supercritical systems has been developed and tested. A direct Monte Carlo approach to calculating a static alpha is to simply follow the buildup in time of neutrons in a supercritical system and evaluate the logarithmic derivative of the neutron population with respect to time. This procedure is expensive, and the solution is very noisy and almost useless for a system near critical. The modified approach is to convert the time-dependent problem to a static ..cap alpha../sup -/eigenvalue problem and regress ..cap alpha.. on solutions of a/sup -/ k/sup -/eigenvalue problem. In practice, this procedure is much more efficient than the direct calculation, and produces much more accurate results. Because the Monte Carlo codes are intrinsically three-dimensional and use elaborate continuous-energy cross sections, this technique is now used as a standard for evaluating other calculational techniques in odd geometries or with group cross sections.

Approaches to reducing photon dose calculation errors near metal implants

Energy Technology Data Exchange (ETDEWEB)

Huang, Jessie Y.; Followill, David S.; Howell, Rebecca M.; Mirkovic, Dragan; Kry, Stephen F., E-mail: sfkry@mdanderson.org [Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, Texas 77030 and Graduate School of Biomedical Sciences, The University of Texas Health Science Center Houston, Houston, Texas 77030 (United States); Liu, Xinming [Department of Imaging Physics, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, Texas 77030 and Graduate School of Biomedical Sciences, The University of Texas Health Science Center Houston, Houston, Texas 77030 (United States); Stingo, Francesco C. [Department of Biostatistics, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, Texas 77030 and Graduate School of Biomedical Sciences, The University of Texas Health Science Center Houston, Houston, Texas 77030 (United States)

2016-09-15

Purpose: Dose calculation errors near metal implants are caused by limitations of the dose calculation algorithm in modeling tissue/metal interface effects as well as density assignment errors caused by imaging artifacts. The purpose of this study was to investigate two strategies for reducing dose calculation errors near metal implants: implementation of metal-based energy deposition kernels in the convolution/superposition (C/S) dose calculation method and use of metal artifact reduction methods for computed tomography (CT) imaging. Methods: Both error reduction strategies were investigated using a simple geometric slab phantom with a rectangular metal insert (composed of titanium or Cerrobend), as well as two anthropomorphic phantoms (one with spinal hardware and one with dental fillings), designed to mimic relevant clinical scenarios. To assess the dosimetric impact of metal kernels, the authors implemented titanium and silver kernels in a commercial collapsed cone C/S algorithm. To assess the impact of CT metal artifact reduction methods, the authors performed dose calculations using baseline imaging techniques (uncorrected 120 kVp imaging) and three commercial metal artifact reduction methods: Philips Healthcare’s O-MAR, GE Healthcare’s monochromatic gemstone spectral imaging (GSI) using dual-energy CT, and GSI with metal artifact reduction software (MARS) applied. For the simple geometric phantom, radiochromic film was used to measure dose upstream and downstream of metal inserts. For the anthropomorphic phantoms, ion chambers and radiochromic film were used to quantify the benefit of the error reduction strategies. Results: Metal kernels did not universally improve accuracy but rather resulted in better accuracy upstream of metal implants and decreased accuracy directly downstream. For the clinical cases (spinal hardware and dental fillings), metal kernels had very little impact on the dose calculation accuracy (<1.0%). Of the commercial CT artifact

Approaches to reducing photon dose calculation errors near metal implants

International Nuclear Information System (INIS)

Huang, Jessie Y.; Followill, David S.; Howell, Rebecca M.; Mirkovic, Dragan; Kry, Stephen F.; Liu, Xinming; Stingo, Francesco C.

2016-01-01

Purpose: Dose calculation errors near metal implants are caused by limitations of the dose calculation algorithm in modeling tissue/metal interface effects as well as density assignment errors caused by imaging artifacts. The purpose of this study was to investigate two strategies for reducing dose calculation errors near metal implants: implementation of metal-based energy deposition kernels in the convolution/superposition (C/S) dose calculation method and use of metal artifact reduction methods for computed tomography (CT) imaging. Methods: Both error reduction strategies were investigated using a simple geometric slab phantom with a rectangular metal insert (composed of titanium or Cerrobend), as well as two anthropomorphic phantoms (one with spinal hardware and one with dental fillings), designed to mimic relevant clinical scenarios. To assess the dosimetric impact of metal kernels, the authors implemented titanium and silver kernels in a commercial collapsed cone C/S algorithm. To assess the impact of CT metal artifact reduction methods, the authors performed dose calculations using baseline imaging techniques (uncorrected 120 kVp imaging) and three commercial metal artifact reduction methods: Philips Healthcare’s O-MAR, GE Healthcare’s monochromatic gemstone spectral imaging (GSI) using dual-energy CT, and GSI with metal artifact reduction software (MARS) applied. For the simple geometric phantom, radiochromic film was used to measure dose upstream and downstream of metal inserts. For the anthropomorphic phantoms, ion chambers and radiochromic film were used to quantify the benefit of the error reduction strategies. Results: Metal kernels did not universally improve accuracy but rather resulted in better accuracy upstream of metal implants and decreased accuracy directly downstream. For the clinical cases (spinal hardware and dental fillings), metal kernels had very little impact on the dose calculation accuracy (<1.0%). Of the commercial CT artifact

Structure And Chemistry Of Ion Masses ≤ 40 Amu In The Inner Coma Of Comet HalleyStructure And Chemistry Of Ion Masses ≤ 40 Amu In The Inner Coma Of Comet Halley

Science.gov (United States)

Haider, S. A.; Bhardwaj, A.

In this paper, we have developed a chemical model to study the chemistry of 46 ions (CH5+, SH+, S+, H2S+, NH3OH+, CH3+, HCO+, H2CO+, C2H3+, C3H3+, H3CO+, H2CN+, H3S+, NH3+, CH3OH2+, CH3OH+, NH4+, H3O+, N+, NH+, NH2+, N2+, C2H+, C+, CH2+, CH+, C2N+, C3H+, C2H4+, C2H5+, CO+, O+, H+, C2+, HCN+, OH+, O2+, CHOH2+, HNO+, N2H+, H2O+, CH4+, C2H2+, (H2O)2+, H5O2+ and C3H+) corresponding to masses ≤ 40 amu in the inner coma of comet Halley. The ionization sources included in the model are solar EUV photon, photoelectron and auroral electron of solar wind origin. The production rates, loss rates and mass densities of these ions are calculated using Analytical Yield Spectrum approach and coupled continuity equation controlled by steady state photochemical model, which involves over 600 chemical reactions between ions, neutrals, photons and electrons in the coma. The calculated mass densities are compared with Giotto Ion Mass Spectrometer (IMS) and Neutral Mass Spectrometer (NMS) data at radial distances 1500 km, 3500 km and 6000 km. The nine major peaks at 12, 15, 19, 26, 28, 31, 33, 35, and 39 amu observed in IMS/NMS spectra are reproduced well by model calculation. ^

Some experience of shielding calculations by combinatorial method

International Nuclear Information System (INIS)

Korobejnikov, V.V.; Oussanov, V.I.

1996-01-01

Some aspects of the compound systems shielding calculations by a combinatorial approach are discussed. The effectiveness of such an approach is based on the fundamental characteristic of a compound system: if some element of the system have in itself mathematical or physical properties favorable for calculation, these properties may be used in a combinatorial approach and are lost when the system is being calculated in the whole by a direct approach. The combinatorial technique applied is well known. A compound system are being splitting for two or more auxiliary subsystems (so that calculation each of them is a more simple problem than calculation of the original problem (or at last is a soluble problem if original one is not). Calculation of every subsystem are carried out by suitable method and code, the coupling being made through boundary conditions or boundary source. The special consideration in the paper is given to a fast reactor shielding combinatorial analysis and to the testing of the results received. (author)

The mass spectrum of double heavy baryons in new potential quark models

Directory of Open Access Journals (Sweden)

Kovalenko Vladimir

2017-01-01

Full Text Available A new approach to study the mass spectrum of double heavy baryons (QQ′q containing strange and charmed quarks is proposed. It is based on the separation of variables in the Schrodinger equation in the prolate spheroidal coordinates. Two nonrelativistic potential models are considered. In the first model, the interaction potential of the quarks is the sum of the Coulomb and non-spherically symmetrical linear confinement potential. In the second model it is assumed that the quark confinement provided by a spherically symmetric harmonic oscillator potential. In both models the mass spectrum is calculated, and a comparison with previous results from other models is performed.

Use of spatial symmetry in atomic--integral calculations: an efficient permutational approach

International Nuclear Information System (INIS)

Rouzo, H.L.

1979-01-01

The minimal number of independent nonzero atomic integrals that occur over arbitrarily oriented basis orbitals of the form R(r).Y/sub lm/(Ω) is theoretically derived. The corresponding method can be easily applied to any point group, including the molecular continuous groups C/sub infinity v/ and D/sub infinity h/. On the basis of this (theoretical) lower bound, the efficiency of the permutational approach in generating sets of independent integrals is discussed. It is proved that lobe orbitals are always more efficient than the familiar Cartesian Gaussians, in the sense that GLOS provide the shortest integral lists. Moreover, it appears that the new axial GLOS often lead to a number of integrals, which is the theoretical lower bound previously defined. With AGLOS, the numbers of two-electron integrals to be computed, stored, and processed are divided by factors 2.9 (NH 3 ), 4.2 (C 5 H 5 ), and 3.6 (C 6 H 6 ) with reference to the corresponding CGTOS calculations. Remembering that in the permutational approach, atomic integrals are directly computed without any four-indice transformation, it appears that its utilization in connection with AGLOS provides one of the most powerful tools for treating symmetrical species. 34 references

A dose error evaluation study for 4D dose calculations

Science.gov (United States)

Milz, Stefan; Wilkens, Jan J.; Ullrich, Wolfgang

2014-10-01

Previous studies have shown that respiration induced motion is not negligible for Stereotactic Body Radiation Therapy. The intrafractional breathing induced motion influences the delivered dose distribution on the underlying patient geometry such as the lung or the abdomen. If a static geometry is used, a planning process for these indications does not represent the entire dynamic process. The quality of a full 4D dose calculation approach depends on the dose coordinate transformation process between deformable geometries. This article provides an evaluation study that introduces an advanced method to verify the quality of numerical dose transformation generated by four different algorithms. The used transformation metric value is based on the deviation of the dose mass histogram (DMH) and the mean dose throughout dose transformation. The study compares the results of four algorithms. In general, two elementary approaches are used: dose mapping and energy transformation. Dose interpolation (DIM) and an advanced concept, so called divergent dose mapping model (dDMM), are used for dose mapping. The algorithms are compared to the basic energy transformation model (bETM) and the energy mass congruent mapping (EMCM). For evaluation 900 small sample regions of interest (ROI) are generated inside an exemplary lung geometry (4DCT). A homogeneous fluence distribution is assumed for dose calculation inside the ROIs. The dose transformations are performed with the four different algorithms. The study investigates the DMH-metric and the mean dose metric for different scenarios (voxel sizes: 8 mm, 4 mm, 2 mm, 1 mm 9 different breathing phases). dDMM achieves the best transformation accuracy in all measured test cases with 3-5% lower errors than the other models. The results of dDMM are reasonable and most efficient in this study, although the model is simple and easy to implement. The EMCM model also achieved suitable results, but the approach requires a more complex

Accurate prediction of the ammonia probes of a variable proton-to-electron mass ratio

Science.gov (United States)

Owens, A.; Yurchenko, S. N.; Thiel, W.; Špirko, V.

2015-07-01

A comprehensive study of the mass sensitivity of the vibration-rotation-inversion transitions of 14NH3, 15NH3, 14ND3 and 15ND3 is carried out variationally using the TROVE approach. Variational calculations are robust and accurate, offering a new way to compute sensitivity coefficients. Particular attention is paid to the Δk = ±3 transitions between the accidentally coinciding rotation-inversion energy levels of the ν2 = 0+, 0-, 1+ and 1- states, and the inversion transitions in the ν4 = 1 state affected by the `giant' l-type doubling effect. These transitions exhibit highly anomalous sensitivities, thus appearing as promising probes of a possible cosmological variation of the proton-to-electron mass ratio μ. Moreover, a simultaneous comparison of the calculated sensitivities reveals a sizeable isotopic dependence which could aid an exclusive ammonia detection.

EMPIRE-II statistical model code for nuclear reaction calculations

Energy Technology Data Exchange (ETDEWEB)

Herman, M [International Atomic Energy Agency, Vienna (Austria)

2001-12-15

EMPIRE II is a nuclear reaction code, comprising various nuclear models, and designed for calculations in the broad range of energies and incident particles. A projectile can be any nucleon or Heavy Ion. The energy range starts just above the resonance region, in the case of neutron projectile, and extends up to few hundreds of MeV for Heavy Ion induced reactions. The code accounts for the major nuclear reaction mechanisms, such as optical model (SCATB), Multistep Direct (ORION + TRISTAN), NVWY Multistep Compound, and the full featured Hauser-Feshbach model. Heavy Ion fusion cross section can be calculated within the simplified coupled channels approach (CCFUS). A comprehensive library of input parameters covers nuclear masses, optical model parameters, ground state deformations, discrete levels and decay schemes, level densities, fission barriers (BARFIT), moments of inertia (MOMFIT), and {gamma}-ray strength functions. Effects of the dynamic deformation of a fast rotating nucleus can be taken into account in the calculations. The results can be converted into the ENDF-VI format using the accompanying code EMPEND. The package contains the full EXFOR library of experimental data. Relevant EXFOR entries are automatically retrieved during the calculations. Plots comparing experimental results with the calculated ones can be produced using X4TOC4 and PLOTC4 codes linked to the rest of the system through bash-shell (UNIX) scripts. The graphic user interface written in Tcl/Tk is provided. (author)

Calculation of the tunneling time using the extended probability of the quantum histories approach

International Nuclear Information System (INIS)

Rewrujirek, Jiravatt; Hutem, Artit; Boonchui, Sutee

2014-01-01

The dwell time of quantum tunneling has been derived by Steinberg (1995) [7] as a function of the relation between transmission and reflection times τ t and τ r , weighted by the transmissivity and the reflectivity. In this paper, we reexamine the dwell time using the extended probability approach. The dwell time is calculated as the weighted average of three mutually exclusive events. We consider also the scattering process due to a resonance potential in the long-time limit. The results show that the dwell time can be expressed as the weighted sum of transmission, reflection and internal probabilities.

A practical approach for calculating reliable cost estimates from observational data: application to cost analyses in maternal and child health.

Science.gov (United States)

Salemi, Jason L; Comins, Meg M; Chandler, Kristen; Mogos, Mulubrhan F; Salihu, Hamisu M

2013-08-01

Comparative effectiveness research (CER) and cost-effectiveness analysis are valuable tools for informing health policy and clinical care decisions. Despite the increased availability of rich observational databases with economic measures, few researchers have the skills needed to conduct valid and reliable cost analyses for CER. The objectives of this paper are to (i) describe a practical approach for calculating cost estimates from hospital charges in discharge data using publicly available hospital cost reports, and (ii) assess the impact of using different methods for cost estimation in maternal and child health (MCH) studies by conducting economic analyses on gestational diabetes (GDM) and pre-pregnancy overweight/obesity. In Florida, we have constructed a clinically enhanced, longitudinal, encounter-level MCH database covering over 2.3 million infants (and their mothers) born alive from 1998 to 2009. Using this as a template, we describe a detailed methodology to use publicly available data to calculate hospital-wide and department-specific cost-to-charge ratios (CCRs), link them to the master database, and convert reported hospital charges to refined cost estimates. We then conduct an economic analysis as a case study on women by GDM and pre-pregnancy body mass index (BMI) status to compare the impact of using different methods on cost estimation. Over 60 % of inpatient charges for birth hospitalizations came from the nursery/labor/delivery units, which have very different cost-to-charge markups (CCR = 0.70) than the commonly substituted hospital average (CCR = 0.29). Using estimated mean, per-person maternal hospitalization costs for women with GDM as an example, unadjusted charges ($US14,696) grossly overestimated actual cost, compared with hospital-wide ($US3,498) and department-level ($US4,986) CCR adjustments. However, the refined cost estimation method, although more accurate, did not alter our conclusions that infant/maternal hospitalization costs

THE PANCHROMATIC HUBBLE ANDROMEDA TREASURY. IV. A PROBABILISTIC APPROACH TO INFERRING THE HIGH-MASS STELLAR INITIAL MASS FUNCTION AND OTHER POWER-LAW FUNCTIONS

Energy Technology Data Exchange (ETDEWEB)

Weisz, Daniel R.; Fouesneau, Morgan; Dalcanton, Julianne J.; Clifton Johnson, L.; Beerman, Lori C.; Williams, Benjamin F. [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States); Hogg, David W.; Foreman-Mackey, Daniel T. [Center for Cosmology and Particle Physics, New York University, 4 Washington Place, New York, NY 10003 (United States); Rix, Hans-Walter; Gouliermis, Dimitrios [Max Planck Institute for Astronomy, Koenigstuhl 17, D-69117 Heidelberg (Germany); Dolphin, Andrew E. [Raytheon Company, 1151 East Hermans Road, Tucson, AZ 85756 (United States); Lang, Dustin [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); Bell, Eric F. [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States); Gordon, Karl D.; Kalirai, Jason S. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Skillman, Evan D., E-mail: dweisz@astro.washington.edu [Minnesota Institute for Astrophysics, University of Minnesota, 116 Church Street SE, Minneapolis, MN 55455 (United States)

2013-01-10

We present a probabilistic approach for inferring the parameters of the present-day power-law stellar mass function (MF) of a resolved young star cluster. This technique (1) fully exploits the information content of a given data set; (2) can account for observational uncertainties in a straightforward way; (3) assigns meaningful uncertainties to the inferred parameters; (4) avoids the pitfalls associated with binning data; and (5) can be applied to virtually any resolved young cluster, laying the groundwork for a systematic study of the high-mass stellar MF (M {approx}> 1 M {sub Sun }). Using simulated clusters and Markov Chain Monte Carlo sampling of the probability distribution functions, we show that estimates of the MF slope, {alpha}, are unbiased and that the uncertainty, {Delta}{alpha}, depends primarily on the number of observed stars and on the range of stellar masses they span, assuming that the uncertainties on individual masses and the completeness are both well characterized. Using idealized mock data, we compute the theoretical precision, i.e., lower limits, on {alpha}, and provide an analytic approximation for {Delta}{alpha} as a function of the observed number of stars and mass range. Comparison with literature studies shows that {approx}3/4 of quoted uncertainties are smaller than the theoretical lower limit. By correcting these uncertainties to the theoretical lower limits, we find that the literature studies yield ({alpha}) = 2.46, with a 1{sigma} dispersion of 0.35 dex. We verify that it is impossible for a power-law MF to obtain meaningful constraints on the upper mass limit of the initial mass function, beyond the lower bound of the most massive star actually observed. We show that avoiding substantial biases in the MF slope requires (1) including the MF as a prior when deriving individual stellar mass estimates, (2) modeling the uncertainties in the individual stellar masses, and (3) fully characterizing and then explicitly modeling the

THE PANCHROMATIC HUBBLE ANDROMEDA TREASURY. IV. A PROBABILISTIC APPROACH TO INFERRING THE HIGH-MASS STELLAR INITIAL MASS FUNCTION AND OTHER POWER-LAW FUNCTIONS

International Nuclear Information System (INIS)

Weisz, Daniel R.; Fouesneau, Morgan; Dalcanton, Julianne J.; Clifton Johnson, L.; Beerman, Lori C.; Williams, Benjamin F.; Hogg, David W.; Foreman-Mackey, Daniel T.; Rix, Hans-Walter; Gouliermis, Dimitrios; Dolphin, Andrew E.; Lang, Dustin; Bell, Eric F.; Gordon, Karl D.; Kalirai, Jason S.; Skillman, Evan D.

2013-01-01

We present a probabilistic approach for inferring the parameters of the present-day power-law stellar mass function (MF) of a resolved young star cluster. This technique (1) fully exploits the information content of a given data set; (2) can account for observational uncertainties in a straightforward way; (3) assigns meaningful uncertainties to the inferred parameters; (4) avoids the pitfalls associated with binning data; and (5) can be applied to virtually any resolved young cluster, laying the groundwork for a systematic study of the high-mass stellar MF (M ∼> 1 M ☉ ). Using simulated clusters and Markov Chain Monte Carlo sampling of the probability distribution functions, we show that estimates of the MF slope, α, are unbiased and that the uncertainty, Δα, depends primarily on the number of observed stars and on the range of stellar masses they span, assuming that the uncertainties on individual masses and the completeness are both well characterized. Using idealized mock data, we compute the theoretical precision, i.e., lower limits, on α, and provide an analytic approximation for Δα as a function of the observed number of stars and mass range. Comparison with literature studies shows that ∼3/4 of quoted uncertainties are smaller than the theoretical lower limit. By correcting these uncertainties to the theoretical lower limits, we find that the literature studies yield (α) = 2.46, with a 1σ dispersion of 0.35 dex. We verify that it is impossible for a power-law MF to obtain meaningful constraints on the upper mass limit of the initial mass function, beyond the lower bound of the most massive star actually observed. We show that avoiding substantial biases in the MF slope requires (1) including the MF as a prior when deriving individual stellar mass estimates, (2) modeling the uncertainties in the individual stellar masses, and (3) fully characterizing and then explicitly modeling the completeness for stars of a given mass. The precision on MF

Calculating Quenching Weights

CERN Document Server

Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim

2003-01-01

We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...

Effective mass of 4He atom in superfluid and normal phases

International Nuclear Information System (INIS)

Vakarchuk, Yi.O.; Grigorchak, O.Yi.; Pastukhov, V.S.; Pritula, R.O.

2016-01-01

The formula for the temperature dependence of the effective mass of a 4 He atom in the superfluid and normal phases is obtained. This expression for the effective mass allows one to eliminate infra-red divergences, being applicable at all temperatures, except for a narrow fluctuation region 0.97< < approx T/T c <=1. In the high and low temperature limits, as well as in the interactionless limit, the obtained expression reproduces the well known results. The temperature dependence of the heat capacity and the phase transition temperature T c ∼2.18 K are calculated, by using the formula obtained for the effective mass. In the framework of the approach proposed in this work, the small critical index η is determined in the random phase approximation. The obtained value corresponds to the well known result

Low missing mass, single- and double diffraction dissociation at the LHC

CERN Document Server

Jenkovszky, Laszlo; Orava, Risto; Salii, Andrii

2014-01-01

Low missing mass, single- and double diffraction dissociation is calculated for the LHC energies from a dual-Regge model, dominated by a Pomeron Regge pole exchange. The model reproduces the rich resonance structure in the low missing mass Mx region. The diffractionly excited states lie on the nucleon trajectory, appended by the isolated Roper resonance. Detailed predictions for the squared momentum transfer and missing mass dependence of the differential and integrated single- and double diffraction dissociation in the kinematical range of present and future LHC measurements are given. The model predicts a possible turn-down of the cross section towards, t -> 0 in a region probably accessible in future experiments in the nearly forward direction. The present work is a continuation and extension (e.g. with double diffraction) of a previous work using the dual Regge approach.

Determination of thermodynamic parameters of tautomerization in gas phase by mass spectrometry and DFT calculations: Keto-enol versus nitrile-ketenimine equilibria.

Science.gov (United States)

Giussi, Juan M; Gastaca, Belen; Albesa, Alberto; Cortizo, M Susana; Allegretti, Patricia E

2011-02-01

The study of tautomerics equilibria is really important because the reactivity of each compound with tautomeric capacity can be determined from the proportion of each tautomer. In the present work the tautomeric equilibria in some γ,δ-unsaturated β-hydroxynitriles and γ,δ-unsaturated β-ketonitriles were studied. The first family of compounds presents two possible theoretical tautomers, nitrile and ketenimine, while the second one presents four possible theoretical tautomers, keto-nitrile, enol (E and Z)-nitrile and keto-ketenimine. The equilibrium in gas phase was studied by gas chromatography-mass spectrometry (GC-MS). Tautomerization enthalpies were calculated by this methodology, and results were compared with those obtained by density functional theory (DFT) calculations, observing a good agreement between them. Nitrile tautomers were favored within the first family of compounds, while keto-nitrile tautomers were favored in the second family. Copyright © 2010 Elsevier B.V. All rights reserved.

Masses of Cepheids

International Nuclear Information System (INIS)

Fox, A.N.

1980-01-01

About ten years ago it became apparent that the masses of Cepheids predicted from the theory of stellar evolution were larger than those predicted by pulsation theory. This mass anomaly for the classical Cepheids was displayed by Christy (1968) and Stobie (1969a,b,c) using nonlinear hydrodynamic calculations and by Cogan (1970) using linear theory. Rodgers (1970) has also discussed the several mass anomalies in some detail. These mass anomalies, and some others to be discussed, have not yet been completely resolved, but many of the discrepancies have been alleviated mostly by an increase in the Cepheid luminosities and a decrease in their surface temperatures

Leading-order calculation of hadronic contributions to the Muon g-2 using the Dyson-Schwinger approach

Energy Technology Data Exchange (ETDEWEB)

Goecke, Tobias [Institut fuer Theoretische Physik, Universitaet Giessen, 35392 Giessen (Germany); Fischer, Christian S., E-mail: christian.fischer@theo.physik.uni-giessen.de [Institut fuer Theoretische Physik, Universitaet Giessen, 35392 Giessen (Germany); Gesellschaft fuer Schwerionenforschung mbH, Planckstr. 1, D-64291 Darmstadt (Germany); Williams, Richard [Dept. Fisica Teorica I, Universidad Complutense, 28040 Madrid (Spain)

2011-10-13

We present a calculation of the hadronic vacuum polarisation (HVP) tensor within the framework of Dyson-Schwinger equations. To this end we use a well-established phenomenological model for the quark-gluon interaction with parameters fixed to reproduce hadronic observables. From the HVP tensor we compute both the Adler function and the HVP contribution to the anomalous magnetic moment of the muon, a{sub {mu}}. We find a{sub {mu}}{sup HVP}=6760x10{sup -11} which deviates about two percent from the value extracted from experiment. Additionally, we make comparison with a recent lattice determination of a{sub {mu}}{sup HVP} and find good agreement within our approach. We also discuss the implications of our result for a corresponding calculation of the hadronic light-by-light scattering contribution to a{sub {mu}.}

Neutralino-nucleon cross sections for detection of low-mass dark matter particles

International Nuclear Information System (INIS)

Titkova, I.V.; Bednyakov, V.A.

2004-01-01