EMPIRE: A Reaction Model Code for Nuclear Astrophysics
NASA Astrophysics Data System (ADS)
Palumbo, A.; Herman, M.; Capote, R.
2014-06-01
The correct modeling of abundances requires knowledge of nuclear cross sections for a variety of neutron, charged particle and γ induced reactions. These involve targets far from stability and are therefore difficult (or currently impossible) to measure. Nuclear reaction theory provides the only way to estimate values of such cross sections. In this paper we present application of the EMPIRE reaction code to nuclear astrophysics. Recent measurements are compared to the calculated cross sections showing consistent agreement for n-, p- and α-induced reactions of strophysical relevance.
EMPIRE: A Reaction Model Code for Nuclear Astrophysics
Palumbo, A.; Herman, M.; Capote, R.
2014-06-15
The correct modeling of abundances requires knowledge of nuclear cross sections for a variety of neutron, charged particle and γ induced reactions. These involve targets far from stability and are therefore difficult (or currently impossible) to measure. Nuclear reaction theory provides the only way to estimate values of such cross sections. In this paper we present application of the EMPIRE reaction code to nuclear astrophysics. Recent measurements are compared to the calculated cross sections showing consistent agreement for n-, p- and α-induced reactions of strophysical relevance.
EMPIRE: Nuclear Reaction Model Code System for Data Evaluation
Herman, M. Capote, R.; Carlson, B.V.; Oblozinsky, P.; Sin, M.; Trkov, A.; Wienke, H.; Zerkin, V.
2007-12-15
EMPIRE is a modular system of nuclear reaction codes, comprising various nuclear models, and designed for calculations over a broad range of energies and incident particles. A projectile can be a neutron, proton, any ion (including heavy-ions) or a photon. The energy range extends from the beginning of the unresolved resonance region for neutron-induced reactions ({approx} keV) and goes up to several hundred MeV for heavy-ion induced reactions. The code accounts for the major nuclear reaction mechanisms, including direct, pre-equilibrium and compound nucleus ones. Direct reactions are described by a generalized optical model (ECIS03) or by the simplified coupled-channels approach (CCFUS). The pre-equilibrium mechanism can be treated by a deformation dependent multi-step direct (ORION + TRISTAN) model, by a NVWY multi-step compound one or by either a pre-equilibrium exciton model with cluster emission (PCROSS) or by another with full angular momentum coupling (DEGAS). Finally, the compound nucleus decay is described by the full featured Hauser-Feshbach model with {gamma}-cascade and width-fluctuations. Advanced treatment of the fission channel takes into account transmission through a multiple-humped fission barrier with absorption in the wells. The fission probability is derived in the WKB approximation within the optical model of fission. Several options for nuclear level densities include the EMPIRE-specific approach, which accounts for the effects of the dynamic deformation of a fast rotating nucleus, the classical Gilbert-Cameron approach and pre-calculated tables obtained with a microscopic model based on HFB single-particle level schemes with collective enhancement. A comprehensive library of input parameters covers nuclear masses, optical model parameters, ground state deformations, discrete levels and decay schemes, level densities, fission barriers, moments of inertia and {gamma}-ray strength functions. The results can be converted into ENDF-6 formatted
Recent Developments of the Nuclear Reaction Model Code EMPIRE
Herman, M.; Oblozinsky, P.; Capote, R.; Trkov, A.; Zerkin, V.; Sin, M.; Ventura, A.
2005-05-24
Recent extensions and improvements of the EMPIRE code system are outlined. They add to the code new capabilities such as fission of actinides, preequilibrium emission of clusters, photo-nuclear reactions, and reactions on excited targets. These features, along with improved ENDF formatting, exclusive spectra, and recoils make the forthcoming 2.19 release a complete tool for evaluation of nuclear data at incident energies above the resonance region.
Modeling Proton- and Light Ion-Induced Reactions at Low Energies in the MARS15 Code
Rakhno, I. L.; Mokhov, N. V.; Gudima, K. K.
2015-04-25
An implementation of both ALICE code and TENDL evaluated nuclear data library in order to describe nuclear reactions induced by low-energy projectiles in the Monte Carlo code MARS15 is presented. Comparisons between results of modeling and experimental data on reaction cross sections and secondary particle distributions are shown.
SurfKin: an ab initio kinetic code for modeling surface reactions.
Le, Thong Nguyen-Minh; Liu, Bin; Huynh, Lam K
2014-10-01
In this article, we describe a C/C++ program called SurfKin (Surface Kinetics) to construct microkinetic mechanisms for modeling gas-surface reactions. Thermodynamic properties of reaction species are estimated based on density functional theory calculations and statistical mechanics. Rate constants for elementary steps (including adsorption, desorption, and chemical reactions on surfaces) are calculated using the classical collision theory and transition state theory. Methane decomposition and water-gas shift reaction on Ni(111) surface were chosen as test cases to validate the code implementations. The good agreement with literature data suggests this is a powerful tool to facilitate the analysis of complex reactions on surfaces, and thus it helps to effectively construct detailed microkinetic mechanisms for such surface reactions. SurfKin also opens a possibility for designing nanoscale model catalysts. PMID:25111729
PHASE-OTI: A pre-equilibrium model code for nuclear reactions calculations
NASA Astrophysics Data System (ADS)
Elmaghraby, Elsayed K.
2009-09-01
The present work focuses on a pre-equilibrium nuclear reaction code (based on the one, two and infinity hypothesis of pre-equilibrium nuclear reactions). In the PHASE-OTI code, pre-equilibrium decays are assumed to be single nucleon emissions, and the statistical probabilities come from the independence of nuclei decay. The code has proved to be a good tool to provide predictions of energy-differential cross sections. The probability of emission was calculated statistically using bases of hybrid model and exciton model. However, more precise depletion factors were used in the calculations. The present calculations were restricted to nucleon-nucleon interactions and one nucleon emission. Program summaryProgram title: PHASE-OTI Catalogue identifier: AEDN_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDN_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5858 No. of bytes in distributed program, including test data, etc.: 149 405 Distribution format: tar.gz Programming language: Fortran 77 Computer: Pentium 4 and Centrino Duo Operating system: MS Windows RAM: 128 MB Classification: 17.12 Nature of problem: Calculation of the differential cross section for nucleon induced nuclear reaction in the framework of pre-equilibrium emission model. Solution method: Single neutron emission was treated by assuming occurrence of the reaction in successive steps. Each step is called phase because of the phase transition nature of the theory. The probability of emission was calculated statistically using bases of hybrid model [1] and exciton model [2]. However, more precise depletion factor was used in the calculations. Exciton configuration used in the code is that described in earlier work [3]. Restrictions: The program is restricted to single nucleon emission and nucleon
Applications of Transport/Reaction Codes to Problems in Cell Modeling
MEANS, SHAWN A.; RINTOUL, MARK DANIEL; SHADID, JOHN N.
2001-11-01
We demonstrate two specific examples that show how our exiting capabilities in solving large systems of partial differential equations associated with transport/reaction systems can be easily applied to outstanding problems in computational biology. First, we examine a three-dimensional model for calcium wave propagation in a Xenopus Laevis frog egg and verify that a proposed model for the distribution of calcium release sites agrees with experimental results as a function of both space and time. Next, we create a model of the neuron's terminus based on experimental observations and show that the sodium-calcium exchanger is not the route of sodium's modulation of neurotransmitter release. These state-of-the-art simulations were performed on massively parallel platforms and required almost no modification of existing Sandia codes.
Ritter, E R
1991-08-01
A computer package has been developed called THERM, an acronym for THermodynamic property Estimation for Radicals and Molecules. THERM is a versatile computer code designed to automate the estimation of ideal gas phase thermodynamic properties for radicals and molecules important to combustion and reaction-modeling studies. Thermodynamic properties calculated include heat of formation and entropies at 298 K and heat capacities from 300 to 1500 K. Heat capacity estimates are then extrapolated to above 5000 K, and NASA format polynomial thermodynamic property representations valid from 298 to 5000 K are generated. This code is written in Microsoft Fortran version 5.0 for use on machines running under MSDOS. THERM uses group additivity principles of Benson and current best values for bond strengths, changes in entropy, and loss of vibrational degrees of freedom to estimate properties for radical species from parent molecules. This ensemble of computer programs can be used to input literature data, estimate data when not available, and review, update, and revise entries to reflect improvements and modifications to the group contribution and bond dissociation databases. All input and output files are ASCII so that they can be easily edited, updated, or expanded. In addition, heats of reaction, entropy changes, Gibbs free-energy changes, and equilibrium constants can be calculated as functions of temperature from a NASA format polynomial database. PMID:1939398
EXTENSION OF THE NUCLEAR REACTION MODEL CODE EMPIRE TO ACTINIDES NUCLEAR DATA EVALUATION.
CAPOTE,R.; SIN, M.; TRKOV, A.; HERMAN, M.; CARLSON, B.V.; OBLOZINSKY, P.
2007-04-22
Recent extensions and improvements of the EMPIRE code system are outlined. They add new capabilities to the code, such as prompt fission neutron spectra calculations using Hauser-Feshbach plus pre-equilibrium pre-fission spectra, cross section covariance matrix calculations by Monte Carlo method, fitting of optical model parameters, extended set of optical model potentials including new dispersive coupled channel potentials, parity-dependent level densities and transmission through numerically defined fission barriers. These features, along with improved and validated ENDF formatting, exclusive/inclusive spectra, and recoils make the current EMPIRE release a complete and well validated tool for evaluation of nuclear data at incident energies above the resonance region. The current EMPIRE release has been used in evaluations of neutron induced reaction files for {sup 232}Th and {sup 231,233}Pa nuclei in the fast neutron region at IAEA. Triple-humped fission barriers and exclusive pre-fission neutron spectra were considered for the fission data evaluation. Total, fission, capture and neutron emission cross section, average resonance parameters and angular distributions of neutron scattering are in excellent agreement with the available experimental data.
Code System to Calculate Nuclear Reaction Cross Sections by Evaporation Model.
Energy Science and Technology Software Center (ESTSC)
2000-11-27
Version: 00 Both STAPRE and STAPREF are included in this package. STAPRE calculates energy-averaged cross sections for nuclear reactions with emission of particles and gamma rays and fission. The models employed are the evaporation model with inclusion of pre-equilibrium decay and a gamma-ray cascade model. Angular momentum and parity conservation are accounted for. Major improvement in the 1976 STAPRE program relates to level density approach, implemented in subroutine ZSTDE. Generalized superfluid model is incorporated, boltzman-gasmore » modeling of intrinsic state density and semi-empirical modeling of a few-quasiparticle effects in total level density at equilibrium and saddle deformations of actinide nuclei. In addition to the activation cross sections, particle and gamma-ray production spectra are calculated. Isomeric state populations and production cross sections for gamma rays from low excited levels are obtained, too. For fission a single or a double humped barrier may be chosen.« less
The CRISP Code for Nuclear Reactions
Anefalos, S.; Deppman, A.; Silva, Gilson da; Arruda-Neto, J.D. T.; Garcia, F.
2005-05-24
The CRISP package performs the intranuclear cascade process and the evaporation/fission competition resulting in a code that represents a good tool to describe complexes characteristics of the nuclear reactions, and opens the opportunity for applications in different fields, such as medical physics, photonuclear reactions, spallation or fission process initiated by different probes and in Accelerator Driven Systems, where precise description of energetic and angular neutron distribution, neutron multiplicity and spallation products information are needed. In the CRISP model, was included the time-sequence characteristics of the MCMC code and the evaporation/fission competition process model of the MCEF. Also, includes improvements in the code, as the excitation of nucleonic resonances heavier than Delta; the initial nuclear ground state construction according to the Fermi model and Pauli principle; and a more realistic Pauli blocking mechanism. Some consequences of the improvements performed in the code will be discussed, as, e.g., the absence of Pauli Principle violations observed in the occupation number for single-particle bound states, and the absence the lack of the unphysical nuclear boiling. At the present two other reaction channels are being includes, namely, the quasi-deuteron mechanism at energies between 40 MeV and 140 MeV, and the photon hadronization process, which gives rise to the shadowing effect. With these modifications it will be possible to use the CRISP code for energies above 40 MeV up to a few GeV not only for reactions initiated by protons and neutrons, but also by photons. We will describe some of the consequences resulting of these modifications and present some results in order to illustrate the possible applications, for which this package can be used, mainly those related to spallation process involving high-energy protons.
ERIC Educational Resources Information Center
New Mexico Univ., Albuquerque. American Indian Law Center.
The Model Children's Code was developed to provide a legally correct model code that American Indian tribes can use to enact children's codes that fulfill their legal, cultural and economic needs. Code sections cover the court system, jurisdiction, juvenile offender procedures, minor-in-need-of-care, and termination. Almost every Code section is…
Delany, J.M.
1985-11-25
EQ3/6 geochemical modeling code package was used to investigate the interaction of the Topopah Spring Tuff and J-13 water at high temperatures. EQ3/6 input parameters were obtained from the results of laboratory experiments using USW G-1 core and J-13 water. Laboratory experiments were run at 150 and 250{sup 0}C for 66 days using both wafer-size and crushed tuff. EQ3/6 modeling reproduced results of the 150{sup 0}C experiments except for a small increase in the concentration of potassium that occurs in the first few days of the experiments. At 250{sup 0}C, the EQ3/6 modeling reproduced the major water/rock reactions except for a small increase in potassium, similar to that noted above, and an overall increase in aluminum. The increase in potassium concentration cannot be explained at this time, but the increase in A1 concentration is believed to be caused by the lack of thermodynamic data in the EQ3/6 data base for dachiardite, a zeolite observed as a run product at 250{sup 0}C. The ability to reproduce the majority of the experimental rock/water interactions at 150{sup 0}C validates the use of EQ3/6 as a geochemical modeling tool that can be used to theoretically investigate physical/chemical environments in support of the Waste Package Task of NNWSI.
An interactive code (NETPATH) for modeling NET geochemical reactions along a flow PATH, version 2.0
Plummer, L. Niel; Prestemon, Eric C.; Parkhurst, David L.
1994-01-01
NETPATH is an interactive Fortran 77 computer program used to interpret net geochemical mass-balance reactions between an initial and final water along a hydrologic flow path. Alternatively, NETPATH computes the mixing proportions of two to five initial waters and net geochemical reactions that can account for the observed composition of a final water. The program utilizes previously defined chemical and isotopic data for waters from a hydrochemical system. For a set of mineral and (or) gas phases hypothesized to be the reactive phases in the system, NETPATH calculates the mass transfers in every possible combination of the selected phases that accounts for the observed changes in the selected chemical and (or) isotopic compositions observed along the flow path. The calculations are of use in interpreting geochemical reactions, mixing proportions, evaporation and (or) dilution of waters, and mineral mass transfer in the chemical and isotopic evolution of natural and environmental waters. Rayleigh distillation calculations are applied to each mass-balance model that satisfies the constraints to predict carbon, sulfur, nitrogen, and strontium isotopic compositions at the end point, including radiocarbon dating. DB is an interactive Fortran 77 computer program used to enter analytical data into NETPATH, and calculate the distribution of species in aqueous solution. This report describes the types of problems that can be solved, the methods used to solve problems, and the features available in the program to facilitate these solutions. Examples are presented to demonstrate most of the applications and features of NETPATH. The codes DB and NETPATH can be executed in the UNIX or DOS1 environment. This report replaces U.S. Geological Survey Water-Resources Investigations Report 91-4078, by Plummer and others, which described the original release of NETPATH, version 1.0 (dated December, 1991), and documents revisions and enhancements that are included in version 2.0. 1 The
The nuclear reaction code McGNASH.
Talou, P.; Chadwick, M. B.; Chadwick, M B; Young, P. G. ,; Kawano, T.
2004-01-01
McGNASH is a modern statitistical/preequilibrium nuclear reaction code, being developed at Los Alamos, which can simulate neutron-, proton- and photon-induced reactions in the energy range from a few-keV to about 150 MeV. It is written in modern Fortran 95 scientific language, offering new capabilities both for the developer and the user. McGNASH is still in a development stage, and a first public release is planned for later in 2005. The statisticaUpre-equilibrium nuclear reaction code GNASH has been used successfully over the years to compute neutron-, proton- and photon-induced reactions cross sections on a variety of nuclei targets, and for incident particle energies from tens of keV up to 150-200 MeV. This code has been instrumental in producing numerous nuclear data evaluation files for various ENDF libraries around the World, and in particular the ENDFB-VI and pre-ENDFB-VII libraries in the US. More recently, GNASH was used extensively for the creation of the LA1501ibrary, including data on neutron- and proton-induced reactions up to 150 MeV incident energy. We are now developing a modern version of the code, called McGNASH.
A chemical reaction network solver for the astrophysics code NIRVANA
NASA Astrophysics Data System (ADS)
Ziegler, U.
2016-02-01
Context. Chemistry often plays an important role in astrophysical gases. It regulates thermal properties by changing species abundances and via ionization processes. This way, time-dependent cooling mechanisms and other chemistry-related energy sources can have a profound influence on the dynamical evolution of an astrophysical system. Modeling those effects with the underlying chemical kinetics in realistic magneto-gasdynamical simulations provide the basis for a better link to observations. Aims: The present work describes the implementation of a chemical reaction network solver into the magneto-gasdynamical code NIRVANA. For this purpose a multispecies structure is installed, and a new module for evolving the rate equations of chemical kinetics is developed and coupled to the dynamical part of the code. A small chemical network for a hydrogen-helium plasma was constructed including associated thermal processes which is used in test problems. Methods: Evolving a chemical network within time-dependent simulations requires the additional solution of a set of coupled advection-reaction equations for species and gas temperature. Second-order Strang-splitting is used to separate the advection part from the reaction part. The ordinary differential equation (ODE) system representing the reaction part is solved with a fourth-order generalized Runge-Kutta method applicable for stiff systems inherent to astrochemistry. Results: A series of tests was performed in order to check the correctness of numerical and technical implementation. Tests include well-known stiff ODE problems from the mathematical literature in order to confirm accuracy properties of the solver used as well as problems combining gasdynamics and chemistry. Overall, very satisfactory results are achieved. Conclusions: The NIRVANA code is now ready to handle astrochemical processes in time-dependent simulations. An easy-to-use interface allows implementation of complex networks including thermal processes
NASA Astrophysics Data System (ADS)
Diaz-Torres, Alexis
2011-04-01
A self-contained Fortran-90 program based on a three-dimensional classical dynamical reaction model with stochastic breakup is presented, which is a useful tool for quantifying complete and incomplete fusion, and breakup in reactions induced by weakly-bound two-body projectiles near the Coulomb barrier. The code calculates (i) integrated complete and incomplete fusion cross sections and their angular momentum distribution, (ii) the excitation energy distribution of the primary incomplete-fusion products, (iii) the asymptotic angular distribution of the incomplete-fusion products and the surviving breakup fragments, and (iv) breakup observables, such as angle, kinetic energy and relative energy distributions. Program summaryProgram title: PLATYPUS Catalogue identifier: AEIG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 332 342 No. of bytes in distributed program, including test data, etc.: 344 124 Distribution format: tar.gz Programming language: Fortran-90 Computer: Any Unix/Linux workstation or PC with a Fortran-90 compiler Operating system: Linux or Unix RAM: 10 MB Classification: 16.9, 17.7, 17.8, 17.11 Nature of problem: The program calculates a wide range of observables in reactions induced by weakly-bound two-body nuclei near the Coulomb barrier. These include integrated complete and incomplete fusion cross sections and their spin distribution, as well as breakup observables (e.g. the angle, kinetic energy, and relative energy distributions of the fragments). Solution method: All the observables are calculated using a three-dimensional classical dynamical model combined with the Monte Carlo sampling of probability-density distributions. See Refs. [1,2] for further details. Restrictions: The
Cross Section Calculations of Deuteron-induced Reactions Using the Extended CCONE Code
NASA Astrophysics Data System (ADS)
Nakayama, S.; Araki, S.; Watanabe, Y.; Iwamoto, O.; Ye, T.; Ogata, K.
2014-04-01
We have extended the CCONE code to make it possible to calculate cross sections for deuteron-induced reactions. Elastic breakup and stripping reactions to continuum are calculated using another codes based on the Continuum-Discretized Coupled-Channels theory (CDCC) and the Glauber model, respectively, and the calculated results are inputted to the CCONE code as direct reaction components. Statistical decay from compound nuclei formed by nucleon stripping and deuteron absorption is calculated with the exciton and Hauser-Feshbach models implemented in the original CCONE code. The extended CCONE code is applied to analyses of deuteron-induced reactions on 27Al and 58Ni. CDCC calculations for deuteron elastic scattering show good agreement with the experimental data at incident energies of several tens of MeV. The calculated double-differential (d,xp) cross sections reproduce the measured ones at forward angles for incident energies of 56 and 100 MeV fairly well.
The CCONE Code System and its Application to Nuclear Data Evaluation for Fission and Other Reactions
NASA Astrophysics Data System (ADS)
Iwamoto, O.; Iwamoto, N.; Kunieda, S.; Minato, F.; Shibata, K.
2016-01-01
A computer code system, CCONE, was developed for nuclear data evaluation within the JENDL project. The CCONE code system integrates various nuclear reaction models needed to describe nucleon, light charged nuclei up to alpha-particle and photon induced reactions. The code is written in the C++ programming language using an object-oriented technology. At first, it was applied to neutron-induced reaction data on actinides, which were compiled into JENDL Actinide File 2008 and JENDL-4.0. It has been extensively used in various nuclear data evaluations for both actinide and non-actinide nuclei. The CCONE code has been upgraded to nuclear data evaluation at higher incident energies for neutron-, proton-, and photon-induced reactions. It was also used for estimating β-delayed neutron emission. This paper describes the CCONE code system indicating the concept and design of coding and inputs. Details of the formulation for modelings of the direct, pre-equilibrium and compound reactions are presented. Applications to the nuclear data evaluations such as neutron-induced reactions on actinides and medium-heavy nuclei, high-energy nucleon-induced reactions, photonuclear reaction and β-delayed neutron emission are mentioned.
NASA Technical Reports Server (NTRS)
Radhakrishnan, Krishnan; Bittker, David A.
1993-01-01
A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.
Cheetah: Starspot modeling code
NASA Astrophysics Data System (ADS)
Walkowicz, Lucianne; Thomas, Michael; Finkestein, Adam
2014-12-01
Cheetah models starspots in photometric data (lightcurves) by calculating the modulation of a light curve due to starspots. The main parameters of the program are the linear and quadratic limb darkening coefficients, stellar inclination, spot locations and sizes, and the intensity ratio of the spots to the stellar photosphere. Cheetah uses uniform spot contrast and the minimum number of spots needed to produce a good fit and ignores bright regions for the sake of simplicity.
Serpentinization reaction pathways: implications for modeling approach
Janecky, D.R.
1986-01-01
Experimental seawater-peridotite reaction pathways to form serpentinites at 300/sup 0/C, 500 bars, can be accurately modeled using the EQ3/6 codes in conjunction with thermodynamic and kinetic data from the literature and unpublished compilations. These models provide both confirmation of experimental interpretations and more detailed insight into hydrothermal reaction processes within the oceanic crust. The accuracy of these models depends on careful evaluation of the aqueous speciation model, use of mineral compositions that closely reproduce compositions in the experiments, and definition of realistic reactive components in terms of composition, thermodynamic data, and reaction rates.
Code System to Calculate Integral Parameters with Reaction Rates from WIMS Output.
Energy Science and Technology Software Center (ESTSC)
1994-10-25
Version 00 REACTION calculates different integral parameters related to neutron reactions on reactor lattices, from reaction rates calculated with WIMSD4 code, and comparisons with experimental values.
Developing a Multi-Dimensional Hydrodynamics Code with Astrochemical Reactions
NASA Astrophysics Data System (ADS)
Kwak, Kyujin; Yang, Seungwon
2015-08-01
The Atacama Large Millimeter/submillimeter Array (ALMA) revealed high resolution molecular lines some of which are still unidentified yet. Because formation of these astrochemical molecules has been seldom studied in traditional chemistry, observations of new molecular lines drew a lot of attention from not only astronomers but also chemists both experimental and theoretical. Theoretical calculations for the formation of these astrochemical molecules have been carried out providing reaction rates for some important molecules, and some of theoretical predictions have been measured in laboratories. The reaction rates for the astronomically important molecules are now collected to form databases some of which are publically available. By utilizing these databases, we develop a multi-dimensional hydrodynamics code that includes the reaction rates of astrochemical molecules. Because this type of hydrodynamics code is able to trace the molecular formation in a non-equilibrium fashion, it is useful to study the formation history of these molecules that affects the spatial distribution of some specific molecules. We present the development procedure of this code and some test problems in order to verify and validate the developed code.
HIBRA: A computer code for heavy ion binary reaction analysis employing ion track detectors
NASA Astrophysics Data System (ADS)
Jamil, Khalid; Ahmad, Siraj-ul-Islam; Manzoor, Shahid
2016-01-01
Collisions of heavy ions many times result in production of only two reaction products. Study of heavy ions using ion track detectors allows experimentalists to observe the track length in the plane of the detector, depth of the tracks in the volume of the detector and angles between the tracks on the detector surface, all known as track parameters. How to convert these into useful physics parameters such as masses, energies, momenta of the reaction products and the Q-values of the reaction? This paper describes the (a) model used to analyze binary reactions in terms of measured etched track parameters of the reaction products recorded in ion track detectors, and (b) the code developed for computing useful physics parameters for fast and accurate analysis of a large number of binary events. A computer code, HIBRA (Heavy Ion Binary Reaction Analysis) has been developed both in C++ and FORTRAN programming languages. It has been tested on the binary reactions from 12.5 MeV/u 84Kr ions incident upon U (natural) target deposited on mica ion track detector. The HIBRA code can be employed with any ion track detector for which range-velocity relation is available including the widely used CR-39 ion track detectors. This paper provides the source code of HIBRA in C++ language along with input and output data to test the program.
Visualized kinematics code for two-body nuclear reactions
NASA Astrophysics Data System (ADS)
Lee, E. J.; Chae, K. Y.
2016-05-01
The one or few nucleon transfer reaction has been a great tool for investigating the single-particle properties of a nucleus. Both stable and exotic beams are utilized to study transfer reactions in normal and inverse kinematics, respectively. Because many energy levels of the heavy recoil from the two-body nuclear reaction can be populated by using a single beam energy, identifying each populated state, which is not often trivial owing to high level-density of the nucleus, is essential. For identification of the energy levels, a visualized kinematics code called VISKIN has been developed by utilizing the Java programming language. The development procedure, usage, and application of the VISKIN is reported.
The GNASH preequilibrium-statistical nuclear model code
Arthur, E. D.
1988-01-01
The following report is based on materials presented in a series of lectures at the International Center for Theoretical Physics, Trieste, which were designed to describe the GNASH preequilibrium statistical model code and its use. An overview is provided of the code with emphasis upon code's calculational capabilities and the theoretical models that have been implemented in it. Two sample problems are discussed, the first dealing with neutron reactions on /sup 58/Ni. the second illustrates the fission model capabilities implemented in the code and involves n + /sup 235/U reactions. Finally a description is provided of current theoretical model and code development underway. Examples of calculated results using these new capabilities are also given. 19 refs., 17 figs., 3 tabs.
Assessment of nuclear-reaction codes for proton-induced reactions on light nuclei below 250 MeV
NASA Astrophysics Data System (ADS)
Braunn, Benjamin; Boudard, Alain; David, Jean-Christophe; Koning, Arjan J.; Leprince, Anne; Leray, Sylvie; Mancusi, Davide
2015-07-01
We assess the suitability of nuclear-reaction codes for the generation of accurate cross-section libraries targeted at the simulation of the transport of high-energy protons (up to 250 MeV) in the human body, or in any material containing light nuclides. To this end we present an extensive study of elastic, reaction and fragmentation cross sections for proton-induced reactions on several nuclides. We compare TALYS evaluations against experimental data and, wherever applicable, against the predictions of the INCL/ABLA07 nuclear-reaction model. The TALYS evaluations have been cast in the form of a new cross-section library, which also includes evaluated proton-proton cross sections based on the NN-OnLine tool.
The Variance Reaction Time Model
ERIC Educational Resources Information Center
Sikstrom, Sverker
2004-01-01
The variance reaction time model (VRTM) is proposed to account for various recognition data on reaction time, the mirror effect, receiver-operating-characteristic (ROC) curves, etc. The model is based on simple and plausible assumptions within a neural network: VRTM is a two layer neural network where one layer represents items and one layer…
Material model library for explicit numerical codes
Hofmann, R.; Dial, B.W.
1982-08-01
A material model logic structure has been developed which is useful for most explicit finite-difference and explicit finite-element Lagrange computer codes. This structure has been implemented and tested in the STEALTH codes to provide an example for researchers who wish to implement it in generically similar codes. In parallel with these models, material parameter libraries have been created for the implemented models for materials which are often needed in DoD applications.
A reaction-diffusion-based coding rate control mechanism for camera sensor networks.
Yamamoto, Hiroshi; Hyodo, Katsuya; Wakamiya, Naoki; Murata, Masayuki
2010-01-01
A wireless camera sensor network is useful for surveillance and monitoring for its visibility and easy deployment. However, it suffers from the limited capacity of wireless communication and a network is easily overflown with a considerable amount of video traffic. In this paper, we propose an autonomous video coding rate control mechanism where each camera sensor node can autonomously determine its coding rate in accordance with the location and velocity of target objects. For this purpose, we adopted a biological model, i.e., reaction-diffusion model, inspired by the similarity of biological spatial patterns and the spatial distribution of video coding rate. Through simulation and practical experiments, we verify the effectiveness of our proposal. PMID:22163620
A Reaction-Diffusion-Based Coding Rate Control Mechanism for Camera Sensor Networks
Yamamoto, Hiroshi; Hyodo, Katsuya; Wakamiya, Naoki; Murata, Masayuki
2010-01-01
A wireless camera sensor network is useful for surveillance and monitoring for its visibility and easy deployment. However, it suffers from the limited capacity of wireless communication and a network is easily overflown with a considerable amount of video traffic. In this paper, we propose an autonomous video coding rate control mechanism where each camera sensor node can autonomously determine its coding rate in accordance with the location and velocity of target objects. For this purpose, we adopted a biological model, i.e., reaction-diffusion model, inspired by the similarity of biological spatial patterns and the spatial distribution of video coding rate. Through simulation and practical experiments, we verify the effectiveness of our proposal. PMID:22163620
Evaluation of help model replacement codes
Whiteside, Tad; Hang, Thong; Flach, Gregory
2009-07-01
This work evaluates the computer codes that are proposed to be used to predict percolation of water through the closure-cap and into the waste containment zone at the Department of Energy closure sites. This work compares the currently used water-balance code (HELP) with newly developed computer codes that use unsaturated flow (Richards’ equation). It provides a literature review of the HELP model and the proposed codes, which result in two recommended codes for further evaluation: HYDRUS-2D3D and VADOSE/W. This further evaluation involved performing actual simulations on a simple model and comparing the results of those simulations to those obtained with the HELP code and the field data. From the results of this work, we conclude that the new codes perform nearly the same, although moving forward, we recommend HYDRUS-2D3D.
Reduction of chemical reaction models
NASA Technical Reports Server (NTRS)
Frenklach, Michael
1991-01-01
An attempt is made to reconcile the different terminologies pertaining to reduction of chemical reaction models. The approaches considered include global modeling, response modeling, detailed reduction, chemical lumping, and statistical lumping. The advantages and drawbacks of each of these methods are pointed out.
Propulsive Reaction Control System Model
NASA Technical Reports Server (NTRS)
Brugarolas, Paul; Phan, Linh H.; Serricchio, Frederick; San Martin, Alejandro M.
2011-01-01
This software models a propulsive reaction control system (RCS) for guidance, navigation, and control simulation purposes. The model includes the drive electronics, the electromechanical valve dynamics, the combustion dynamics, and thrust. This innovation follows the Mars Science Laboratory entry reaction control system design, and has been created to meet the Mars Science Laboratory (MSL) entry, descent, and landing simulation needs. It has been built to be plug-and-play on multiple MSL testbeds [analysis, Monte Carlo, flight software development, hardware-in-the-loop, and ATLO (assembly, test and launch operations) testbeds]. This RCS model is a C language program. It contains two main functions: the RCS electronics model function that models the RCS FPGA (field-programmable-gate-array) processing and commanding of the RCS valve, and the RCS dynamic model function that models the valve and combustion dynamics. In addition, this software provides support functions to initialize the model states, set parameters, access model telemetry, and access calculated thruster forces.
From Verified Models to Verifiable Code
NASA Technical Reports Server (NTRS)
Lensink, Leonard; Munoz, Cesar A.; Goodloe, Alwyn E.
2009-01-01
Declarative specifications of digital systems often contain parts that can be automatically translated into executable code. Automated code generation may reduce or eliminate the kinds of errors typically introduced through manual code writing. For this approach to be effective, the generated code should be reasonably efficient and, more importantly, verifiable. This paper presents a prototype code generator for the Prototype Verification System (PVS) that translates a subset of PVS functional specifications into an intermediate language and subsequently to multiple target programming languages. Several case studies are presented to illustrate the tool's functionality. The generated code can be analyzed by software verification tools such as verification condition generators, static analyzers, and software model-checkers to increase the confidence that the generated code is correct.
Reaction models in nuclear astrophysics
NASA Astrophysics Data System (ADS)
Descouvemont, Pierre
2016-05-01
We present different reaction models commonly used in nuclear astrophysics, in particular for the nucleosynthesis of light elements. Pioneering works were performed within the potential model, where the internal structure of the colliding nuclei is completely ignored. Significant advances in microscopic cluster models provided the first microscopic description of the 3He(α,&gamma)7 Be reaction more than thirty years ago. In this approach, the calculations are based on an effective nucleon-nucleon interaction, but the cluster approximation should be made to simplify the calculations. Nowadays, modern microscopic calculations are able to go beyond the cluster approximation, and aim at finding exact solutions of the Schrödinger equation with realistic nucleon-nucleon interactions. We discuss recent examples on the d+d reactions at low energies.
NUCLEAR REACTION MODELING FOR RIA ISOL TARGET DESIGN
S. MASHNIK; ET AL
2001-03-01
Los Alamos scientists are collaborating with researchers at Argonne and Oak Ridge on the development of improved nuclear reaction physics for modeling radionuclide production in ISOL targets. This is being done in the context of the MCNPX simulation code, which is a merger of MCNP and the LAHET intranuclear cascade code, and simulates both nuclear reaction cross sections and radiation transport in the target. The CINDER code is also used to calculate the time-dependent nuclear decays for estimating induced radioactivities. They give an overview of the reaction physics improvements they are addressing, including intranuclear cascade (INC) physics, where recent high-quality inverse-kinematics residue data from GSI have led to INC spallation and fission model improvements; and preequilibrium reactions important in modeling (p,xn) and (p,xnyp) cross sections for the production of nuclides far from stability.
COLD-SAT Dynamic Model Computer Code
NASA Technical Reports Server (NTRS)
Bollenbacher, G.; Adams, N. S.
1995-01-01
COLD-SAT Dynamic Model (CSDM) computer code implements six-degree-of-freedom, rigid-body mathematical model for simulation of spacecraft in orbit around Earth. Investigates flow dynamics and thermodynamics of subcritical cryogenic fluids in microgravity. Consists of three parts: translation model, rotation model, and slosh model. Written in FORTRAN 77.
Comprehensive Nuclear Model Code, Nucleons, Ions, Induced Cross-Sections
2002-09-27
EMPIRE-II is a flexible code for calculation of nuclear reactions in the frame of combined op0tical, Multistep Direct (TUL), Multistep Compound (NVWY) and statistical (Hauser-Feshbach) models. Incident particle can be a nucleon or any nucleus (Heavy Ion). Isomer ratios, residue production cross sections and emission spectra for neutrons, protons, alpha- particles, gamma-rays, and one type of Light Ion can be calculated. The energy range starts just above the resonance region for neutron induced reactions and extends up to several hundreds of MeV for the Heavy Ion induced reactions.
Comprehensive Nuclear Model Code, Nucleons, Ions, Induced Cross-Sections
Energy Science and Technology Software Center (ESTSC)
2002-09-27
EMPIRE-II is a flexible code for calculation of nuclear reactions in the frame of combined op0tical, Multistep Direct (TUL), Multistep Compound (NVWY) and statistical (Hauser-Feshbach) models. Incident particle can be a nucleon or any nucleus (Heavy Ion). Isomer ratios, residue production cross sections and emission spectra for neutrons, protons, alpha- particles, gamma-rays, and one type of Light Ion can be calculated. The energy range starts just above the resonance region for neutron induced reactions andmore » extends up to several hundreds of MeV for the Heavy Ion induced reactions.« less
Transmutation Fuel Performance Code Thermal Model Verification
Gregory K. Miller; Pavel G. Medvedev
2007-09-01
FRAPCON fuel performance code is being modified to be able to model performance of the nuclear fuels of interest to the Global Nuclear Energy Partnership (GNEP). The present report documents the effort for verification of the FRAPCON thermal model. It was found that, with minor modifications, FRAPCON thermal model temperature calculation agrees with that of the commercial software ABAQUS (Version 6.4-4). This report outlines the methodology of the verification, code input, and calculation results.
Genetic coding and gene expression - new Quadruplet genetic coding model
NASA Astrophysics Data System (ADS)
Shankar Singh, Rama
2012-07-01
Successful demonstration of human genome project has opened the door not only for developing personalized medicine and cure for genetic diseases, but it may also answer the complex and difficult question of the origin of life. It may lead to making 21st century, a century of Biological Sciences as well. Based on the central dogma of Biology, genetic codons in conjunction with tRNA play a key role in translating the RNA bases forming sequence of amino acids leading to a synthesized protein. This is the most critical step in synthesizing the right protein needed for personalized medicine and curing genetic diseases. So far, only triplet codons involving three bases of RNA, transcribed from DNA bases, have been used. Since this approach has several inconsistencies and limitations, even the promise of personalized medicine has not been realized. The new Quadruplet genetic coding model proposed and developed here involves all four RNA bases which in conjunction with tRNA will synthesize the right protein. The transcription and translation process used will be the same, but the Quadruplet codons will help overcome most of the inconsistencies and limitations of the triplet codes. Details of this new Quadruplet genetic coding model and its subsequent potential applications including relevance to the origin of life will be presented.
Finite element code development for modeling detonation of HMX composites
NASA Astrophysics Data System (ADS)
Duran, Adam; Sundararaghavan, Veera
2015-06-01
In this talk, we present a hydrodynamics code for modeling shock and detonation waves in HMX. A stable efficient solution strategy based on a Taylor-Galerkin finite element (FE) discretization was developed to solve the reactive Euler equations. In our code, well calibrated equations of state for the solid unreacted material and gaseous reaction products have been implemented, along with a chemical reaction scheme and a mixing rule to define the properties of partially reacted states. A linear Gruneisen equation of state was employed for the unreacted HMX calibrated from experiments. The JWL form was used to model the EOS of gaseous reaction products. It is assumed that the unreacted explosive and reaction products are in both pressure and temperature equilibrium. The overall specific volume and internal energy was computed using the rule of mixtures. Arrhenius kinetics scheme was integrated to model the chemical reactions. A locally controlled dissipation was introduced that induces a non-oscillatory stabilized scheme for the shock front. The FE model was validated using analytical solutions for sod shock and ZND strong detonation models and then used to perform 2D and 3D shock simulations. We will present benchmark problems for geometries in which a single HMX crystal is subjected to a shock condition. Our current progress towards developing microstructural models of HMX/binder composite will also be discussed.
Modelling reaction kinetics inside cells
Grima, Ramon; Schnell, Santiago
2009-01-01
In the past decade, advances in molecular biology such as the development of non-invasive single molecule imaging techniques have given us a window into the intricate biochemical activities that occur inside cells. In this article we review four distinct theoretical and simulation frameworks: (1) non-spatial and deterministic, (2) spatial and deterministic, (3) non-spatial and stochastic and (4) spatial and stochastic. Each framework can be suited to modelling and interpreting intracellular reaction kinetics. By estimating the fundamental length scales, one can roughly determine which models are best suited for the particular reaction pathway under study. We discuss differences in prediction between the four modelling methodologies. In particular we show that taking into account noise and space does not simply add quantitative predictive accuracy but may also lead to qualitatively different physiological predictions, unaccounted for by classical deterministic models. PMID:18793122
Generation of Java code from Alvis model
NASA Astrophysics Data System (ADS)
Matyasik, Piotr; Szpyrka, Marcin; Wypych, Michał
2015-12-01
Alvis is a formal language that combines graphical modelling of interconnections between system entities (called agents) and a high level programming language to describe behaviour of any individual agent. An Alvis model can be verified formally with model checking techniques applied to the model LTS graph that represents the model state space. This paper presents transformation of an Alvis model into executable Java code. Thus, the approach provides a method of automatic generation of a Java application from formally verified Alvis model.
Spatial model of autocatalytic reactions
NASA Astrophysics Data System (ADS)
de Anna, Pietro; di Patti, Francesca; Fanelli, Duccio; McKane, Alan J.; Dauxois, Thierry
2010-05-01
Biological cells with all of their surface structure and complex interior stripped away are essentially vesicles—membranes composed of lipid bilayers which form closed sacs. Vesicles are thought to be relevant as models of primitive protocells, and they could have provided the ideal environment for prebiotic reactions to occur. In this paper, we investigate the stochastic dynamics of a set of autocatalytic reactions, within a spatially bounded domain, so as to mimic a primordial cell. The discreteness of the constituents of the autocatalytic reactions gives rise to large sustained oscillations even when the number of constituents is quite large. These oscillations are spatiotemporal in nature, unlike those found in previous studies, which consisted only of temporal oscillations. We speculate that these oscillations may have a role in seeding membrane instabilities which lead to vesicle division. In this way synchronization could be achieved between protocell growth and the reproduction rate of the constituents (the protogenetic material) in simple protocells.
Fluid-Rock Interaction Models: Code Release and Results
NASA Astrophysics Data System (ADS)
Bolton, E. W.
2006-12-01
Numerical models our group has developed for understanding the role of kinetic processes during fluid-rock interaction will be released free to the public. We will also present results that highlight the importance of kinetic processes. The author is preparing manuals describing the numerical methods used, as well as "how-to" guides for using the models. The release will include input files, full in-line code documentation of the FORTRAN source code, and instructions for use of model output for visualization and analysis. The aqueous phase (weathering) and supercritical (mixed-volatile metamorphic) fluid flow and reaction models for porous media will be released separately. These codes will be useful as teaching and research tools. The codes may be run on current generation personal computers. Although other codes are available for attacking some of the problems we address, unique aspects of our codes include sub-grid-scale grain models to track grain size changes, as well as dynamic porosity and permeability. Also, as the flow field can change significantly over the course of the simulation, efficient solution methods have been developed for the repeated solution of Poisson-type equations that arise from Darcy's law. These include sparse-matrix methods as well as the even more efficient spectral-transform technique. Results will be presented for kinetic control of reaction pathways and for heterogeneous media. Codes and documentation for modeling intra-grain diffusion of trace elements and isotopes, and exchange of these between grains and moving fluids will also be released. The unique aspect of this model is that it includes concurrent diffusion and grain growth or dissolution for multiple mineral types (low-diffusion regridding has been developed to deal with the moving-boundary problem at the fluid/mineral interface). Results for finite diffusion rates will be compared to batch and fractional melting models. Additional code and documentation will be released
SWAAM-LT: The long-term, sodium/water reaction analysis method computer code
Shin, Y.W.; Chung, H.H.; Wiedermann, A.H.; Tanabe, H.
1993-01-01
The SWAAM-LT Code, developed for analysis of long-term effects of sodium/water reactions, is discussed. The theoretical formulation of the code is described, including the introduction of system matrices for ease of computer programming as a general system code. Also, some typical results of the code predictions for available large scale tests are presented. Test data for the steam generator design with the cover-gas feature and without the cover-gas feature are available and analyzed. The capabilities and limitations of the code are then discussed in light of the comparison between the code prediction and the test data.
Predictive coding as a model of cognition.
Spratling, M W
2016-08-01
Previous work has shown that predictive coding can provide a detailed explanation of a very wide range of low-level perceptual processes. It is also widely believed that predictive coding can account for high-level, cognitive, abilities. This article provides support for this view by showing that predictive coding can simulate phenomena such as categorisation, the influence of abstract knowledge on perception, recall and reasoning about conceptual knowledge, context-dependent behavioural control, and naive physics. The particular implementation of predictive coding used here (PC/BC-DIM) has previously been used to simulate low-level perceptual behaviour and the neural mechanisms that underlie them. This algorithm thus provides a single framework for modelling both perceptual and cognitive brain function. PMID:27118562
Reaction Wheel Disturbance Model Extraction Software - RWDMES
NASA Technical Reports Server (NTRS)
Blaurock, Carl
2009-01-01
densities); converting PSDs to order analysis data; extracting harmonics; initializing and simultaneously tuning a harmonic model and a wheel structural model; initializing and tuning a broadband model; and verifying the harmonic/broadband/structural model against the measurement data. Functional operation is through a MATLAB GUI that loads test data, performs the various analyses, plots evaluation data for assessment and refinement of analysis parameters, and exports the data to documentation or downstream analysis code. The harmonic models are defined as specified functions of frequency, typically speed-squared. The reaction wheel structural model is realized as mass, damping, and stiffness matrices (typically from a finite element analysis package) with the addition of a gyroscopic forcing matrix. The broadband noise model is realized as a set of speed-dependent filters. The tuning of the combined model is performed using nonlinear least squares techniques. RWDMES is implemented as a MATLAB toolbox comprising the Fit Manager for performing the model extraction, Data Manager for managing input data and output models, the Gyro Manager for modifying wheel structural models, and the Harmonic Editor for evaluating and tuning harmonic models. This software was validated using data from Goodrich E wheels, and from GSFC Lunar Reconnaissance Orbiter (LRO) wheels. The validation testing proved that RWDMES has the capability to extract accurate disturbance models from flight reaction wheels with minimal user effort.
PP: A graphics post-processor for the EQ6 reaction path code
Stockman, H.W.
1994-09-01
The PP code is a graphics post-processor and plotting program for EQ6, a popular reaction-path code. PP runs on personal computers, allocates memory dynamically, and can handle very large reaction path runs. Plots of simple variable groups, such as fluid and solid phase composition, can be obtained with as few as two keystrokes. Navigation through the list of reaction path variables is simple and efficient. Graphics files can be exported for inclusion in word processing documents and spreadsheets, and experimental data may be imported and superposed on the reaction path runs. The EQ6 thermodynamic database can be searched from within PP, to simplify interpretation of complex plots.
Internal Dosimetry Code System Using Biokinetics Models
Energy Science and Technology Software Center (ESTSC)
2003-11-12
Version 00 InDose is an internal dosimetry code to calculate dose estimations using biokinetic models (presented in ICRP-56 to ICRP71) as well as older ones. The code uses the ICRP-66 respiratory tract model and the ICRP-30 gastrointestinal tract model as well as the new and old biokinetic models. The code was written in such a way that the user can change any parameters of any one of the models without recompiling the code. All parametersmore » are given in well annotated parameters files that the user may change. As default, these files contain the values listed in ICRP publications. The full InDose code was planned to have three parts: 1) the main part includes the uptake and systemic models and is used to calculate the activities in the body tissues and excretion as a function of time for a given intake. 2) An optimization module for automatic estimation of the intake for a specific exposure case. 3) A module to calculate the dose due to the estimated intake. Currently, the code is able to perform only it`s main task (part 1) while the other two have to be done externally using other tools. In the future, developers would like to add these modules in order to provide a complete solution. The code was tested extensively to verify accuracy of its results. The verification procedure was divided into three parts: 1) verification of the implementation of each model, 2) verification of the integrity of the whole code, and 3) usability test. The first two parts consisted of comparing results obtained with InDose to published results for the same cases. For example ICRP-78 monitoring data. The last part consisted of participating in the 3rd EIE-IDA and assessing some of the scenarios provided in this exercise. These tests where presented in a few publications. Good agreement was found between the results of InDose and published data.« less
Spallation reactions: A successful interplay between modeling and applications
NASA Astrophysics Data System (ADS)
David, J.-C.
2015-06-01
The spallation reactions are a type of nuclear reaction which occur in space by interaction of the cosmic rays with interstellar bodies. The first spallation reactions induced with an accelerator took place in 1947 at the Berkeley cyclotron (University of California) with 200MeV deuterons and 400MeV alpha beams. They highlighted the multiple emission of neutrons and charged particles and the production of a large number of residual nuclei far different from the target nuclei. In the same year, R. Serber described the reaction in two steps: a first and fast one with high-energy particle emission leading to an excited remnant nucleus, and a second one, much slower, the de-excitation of the remnant. In 2010 IAEA organized a workshop to present the results of the most widely used spallation codes within a benchmark of spallation models. If one of the goals was to understand the deficiencies, if any, in each code, one remarkable outcome points out the overall high-quality level of some models and so the great improvements achieved since Serber. Particle transport codes can then rely on such spallation models to treat the reactions between a light particle and an atomic nucleus with energies spanning from few tens of MeV up to some GeV. An overview of the spallation reactions modeling is presented in order to point out the incomparable contribution of models based on basic physics to numerous applications where such reactions occur. Validations or benchmarks, which are necessary steps in the improvement process, are also addressed, as well as the potential future domains of development. Spallation reactions modeling is a representative case of continuous studies aiming at understanding a reaction mechanism and which end up in a powerful tool.
SORD: A New Rupture Dynamics Modeling Code
NASA Astrophysics Data System (ADS)
Ely, G.; Minster, B.; Day, S.
2005-12-01
We report on our progress in validating our rupture dynamics modeling code, capable of dealing with nonplanar faults and surface topography. The method uses a "mimetic" approach to model spontaneous rupture on a fault within a 3D isotropic anelastic solid, wherein the equations of motion are approximated with a second order Support-Operator method on a logically rectangular mesh. Grid cells are not required to be parallelepipeds, however, so that non-rectangular meshes can be supported to model complex regions. However, for areas in the mesh which are in fact rectangular, the code uses a streamlined version of the algorithm that takes advantage of the simplifications of the operators in such areas. The fault itself is modeled using a double node technique, and the rheology on the fault surface is modeled through a slip-weakening, frictional, internal boundary condition. The Support Operator Rupture Dynamics (SORD) code, was prototyped in MATLAB, and all algorithms have been validated against known (including analytical solutions, eg Kostrov, 1964) solutions or previously validated solutions. This validation effort is conducted in the context of the SCEC Dynamic Rupture model validation effort led by R. Archuleta and R. Harris. Absorbing boundaries at the model edges are handled using the perfectly matched layers method (PML) (Olsen & Marcinkovich, 2003). PML is shown to work extremely well on rectangular meshes. We show that our implementation is also effective on non-rectangular meshes under the restriction that the boundary be planar. For validation of the model we use a variety of test cases using two types of meshes: a rectangular mesh and skewed mesh. The skewed mesh amplifies any biases caused by the Support-Operator method on non-rectangular elements. Wave propagation and absorbing boundaries are tested with a spherical wave source. Rupture dynamics on a planar fault are tested against (1) a Kostrov analytical solution, (2) data from foam rubber scale models
Computerized reduction of elementary reaction sets for combustion modeling
NASA Technical Reports Server (NTRS)
Wikstrom, Carl V.
1991-01-01
If the entire set of elementary reactions is to be solved in the modeling of chemistry in computational fluid dynamics, a set of stiff ordinary differential equations must be integrated. Some of the reactions take place at very high rates, requiring short time steps, while others take place more slowly and make little progress in the short time step integration. The goal is to develop a procedure to automatically obtain sets of finite rate equations, consistent with a partial equilibrium assumptions, from an elementary set appropriate to local conditions. The possibility of computerized reaction reduction was demonstrated. However, the ability to use the reduced reaction set depends on the ability of the CFD approach in incorporate partial equilibrium calculations into the computer code. Therefore, the results should be tested on a code with partial equilibrium capability.
28 CFR 36.607 - Guidance concerning model codes.
Code of Federal Regulations, 2013 CFR
2013-07-01
... 28 Judicial Administration 1 2013-07-01 2013-07-01 false Guidance concerning model codes. 36.607... Codes § 36.607 Guidance concerning model codes. Upon application by an authorized representative of a private entity responsible for developing a model code, the Assistant Attorney General may review...
28 CFR 36.607 - Guidance concerning model codes.
Code of Federal Regulations, 2014 CFR
2014-07-01
... 28 Judicial Administration 1 2014-07-01 2014-07-01 false Guidance concerning model codes. 36.607... Codes § 36.607 Guidance concerning model codes. Upon application by an authorized representative of a private entity responsible for developing a model code, the Assistant Attorney General may review...
28 CFR 36.607 - Guidance concerning model codes.
Code of Federal Regulations, 2012 CFR
2012-07-01
... 28 Judicial Administration 1 2012-07-01 2012-07-01 false Guidance concerning model codes. 36.607... Codes § 36.607 Guidance concerning model codes. Upon application by an authorized representative of a private entity responsible for developing a model code, the Assistant Attorney General may review...
28 CFR 36.607 - Guidance concerning model codes.
Code of Federal Regulations, 2011 CFR
2011-07-01
... 28 Judicial Administration 1 2011-07-01 2011-07-01 false Guidance concerning model codes. 36.607... Codes § 36.607 Guidance concerning model codes. Upon application by an authorized representative of a private entity responsible for developing a model code, the Assistant Attorney General may review...
Modeling Enzymatic Reactions in Proteins.
NASA Astrophysics Data System (ADS)
Friesner, Richard
2007-03-01
We will discuss application of our density functional (DFT)-based QM/MM methodology to modeling a variety of protein active sites, including methane monooxygenase, myoglobin, and cytochrome P450. In addition to the calculation of intermediates, transition states, and rate constants, we will discuss modeling of reactions requiring protein conformational changes. Our methodology reliably achieves small errors as a result of imposition of the QM/MM boundary. However, the accuracy of DFT methods can vary significantly with the type of system under study. We will discuss a novel approach to the reduction of errors in gradient corrected and hybrid DFT functionals, using empirical localized orbital corrections (DFT-LOC), which addresses this problem effectively. For example, the mean unsigned error in atomization energies for the G3 data set using the B3LYP-LOC model is 0.8 kcal/mole, as compared with 4.8 kcal/mole for B3LYP and 1.0 kcal/mole for G3 theory.
Fixed-fugacity option for the EQ6 geochemical reaction path code
Delany, J.M.; Wolery, T.J.
1984-12-20
EQ3/6 is a software package used to model aqueous geochemical systems. The EQ6 code allows reaction paths of dynamic systems to be calculated. This report describes a new option for the EQ6 computer program that permits the fugacity of any gas in the EQ6 data base to be set to a fixed value. This capability permits simulation of the effect of rapid chemical exchange with a large external gas reservoir by allowing the user to fix the fugacities of selected gas species. Geochemical environments such as groundwater systems open to the atmosphere (e.g., the unsaturated zone), natural aqueous systems that form closed systems at depth, and experimental systems that use controlled atmospheres can be modeled. Two of the principal geochemical weathering agents, CO{sub 2} and O{sub 2}, are the most likely gas species for which this type of exchange may be important. An example of the effect of constant CO{sub 2} fugacity on both open and closed systems is shown for the case of albite dissolution (NaAlSi{sub 3}O{sub 8}) in distilled water. This example demonstrates that the effects of imposed fugacities on geochemical systems can be considerable. This computer code is used in the Nevada Nuclear Waste Storage Investigations Project. 15 refs., 8 figs.
Rapid installation of numerical models in multiple parent codes
Brannon, R.M.; Wong, M.K.
1996-10-01
A set of``model interface guidelines``, called MIG, is offered as a means to more rapidly install numerical models (such as stress-strain laws) into any parent code (hydrocode, finite element code, etc.) without having to modify the model subroutines. The model developer (who creates the model package in compliance with the guidelines) specifies the model`s input and storage requirements in a standardized way. For portability, database management (such as saving user inputs and field variables) is handled by the parent code. To date, NUG has proved viable in beta installations of several diverse models in vectorized and parallel codes written in different computer languages. A NUG-compliant model can be installed in different codes without modifying the model`s subroutines. By maintaining one model for many codes, MIG facilitates code-to-code comparisons and reduces duplication of effort potentially reducing the cost of installing and sharing models.
Dynamic alignment models for neural coding.
Kollmorgen, Sepp; Hahnloser, Richard H R
2014-03-01
Recently, there have been remarkable advances in modeling the relationships between the sensory environment, neuronal responses, and behavior. However, most models cannot encompass variable stimulus-response relationships such as varying response latencies and state or context dependence of the neural code. Here, we consider response modeling as a dynamic alignment problem and model stimulus and response jointly by a mixed pair hidden Markov model (MPH). In MPHs, multiple stimulus-response relationships (e.g., receptive fields) are represented by different states or groups of states in a Markov chain. Each stimulus-response relationship features temporal flexibility, allowing modeling of variable response latencies, including noisy ones. We derive algorithms for learning of MPH parameters and for inference of spike response probabilities. We show that some linear-nonlinear Poisson cascade (LNP) models are a special case of MPHs. We demonstrate the efficiency and usefulness of MPHs in simulations of both jittered and switching spike responses to white noise and natural stimuli. Furthermore, we apply MPHs to extracellular single and multi-unit data recorded in cortical brain areas of singing birds to showcase a novel method for estimating response lag distributions. MPHs allow simultaneous estimation of receptive fields, latency statistics, and hidden state dynamics and so can help to uncover complex stimulus response relationships that are subject to variable timing and involve diverse neural codes. PMID:24625448
NASA Technical Reports Server (NTRS)
Radhakrishnan, Krishnan; Bittker, David A.
1994-01-01
LSENS, the Lewis General Chemical Kinetics Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 2 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 2 describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part 1 (NASA RP-1328) derives the governing equations describes the numerical solution procedures for the types of problems that can be solved by lSENS. Part 3 (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.
Nasrabadi, M. N. Sepiani, M.
2015-03-30
Production of medical radioisotopes is one of the most important tasks in the field of nuclear technology. These radioactive isotopes are mainly produced through variety nuclear process. In this research, excitation functions and nuclear reaction mechanisms are studied for simulation of production of these radioisotopes in the TALYS, EMPIRE and LISE++ reaction codes, then parameters and different models of nuclear level density as one of the most important components in statistical reaction models are adjusted for optimum production of desired radioactive yields.
NASA Astrophysics Data System (ADS)
Nasrabadi, M. N.; Sepiani, M.
2015-03-01
Production of medical radioisotopes is one of the most important tasks in the field of nuclear technology. These radioactive isotopes are mainly produced through variety nuclear process. In this research, excitation functions and nuclear reaction mechanisms are studied for simulation of production of these radioisotopes in the TALYS, EMPIRE & LISE++ reaction codes, then parameters and different models of nuclear level density as one of the most important components in statistical reaction models are adjusted for optimum production of desired radioactive yields.
MEMOPS: data modelling and automatic code generation.
Fogh, Rasmus H; Boucher, Wayne; Ionides, John M C; Vranken, Wim F; Stevens, Tim J; Laue, Ernest D
2010-01-01
In recent years the amount of biological data has exploded to the point where much useful information can only be extracted by complex computational analyses. Such analyses are greatly facilitated by metadata standards, both in terms of the ability to compare data originating from different sources, and in terms of exchanging data in standard forms, e.g. when running processes on a distributed computing infrastructure. However, standards thrive on stability whereas science tends to constantly move, with new methods being developed and old ones modified. Therefore maintaining both metadata standards, and all the code that is required to make them useful, is a non-trivial problem. Memops is a framework that uses an abstract definition of the metadata (described in UML) to generate internal data structures and subroutine libraries for data access (application programming interfaces--APIs--currently in Python, C and Java) and data storage (in XML files or databases). For the individual project these libraries obviate the need for writing code for input parsing, validity checking or output. Memops also ensures that the code is always internally consistent, massively reducing the need for code reorganisation. Across a scientific domain a Memops-supported data model makes it easier to support complex standards that can capture all the data produced in a scientific area, share them among all programs in a complex software pipeline, and carry them forward to deposition in an archive. The principles behind the Memops generation code will be presented, along with example applications in Nuclear Magnetic Resonance (NMR) spectroscopy and structural biology. PMID:20375445
NASA Technical Reports Server (NTRS)
Bittker, David A.; Radhakrishnan, Krishnan
1994-01-01
LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.
24 CFR 200.926b - Model codes.
Code of Federal Regulations, 2010 CFR
2010-04-01
... 24 Housing and Urban Development 2 2010-04-01 2010-04-01 false Model codes. 200.926b Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.926b Model codes. (a) Incorporation by reference. The following model code publications are incorporated by reference in...
24 CFR 200.926b - Model codes.
Code of Federal Regulations, 2014 CFR
2014-04-01
... 24 Housing and Urban Development 2 2014-04-01 2014-04-01 false Model codes. 200.926b Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.926b Model codes. (a) Incorporation by reference. The following model code publications are incorporated by reference in...
49 CFR 41.120 - Acceptable model codes.
Code of Federal Regulations, 2014 CFR
2014-10-01
... 49 Transportation 1 2014-10-01 2014-10-01 false Acceptable model codes. 41.120 Section 41.120 Transportation Office of the Secretary of Transportation SEISMIC SAFETY § 41.120 Acceptable model codes. (a) This... of this part. (b)(1) The following are model codes which have been found to provide a level...
24 CFR 200.926b - Model codes.
Code of Federal Regulations, 2013 CFR
2013-04-01
... 24 Housing and Urban Development 2 2013-04-01 2013-04-01 false Model codes. 200.926b Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.926b Model codes. (a) Incorporation by reference. The following model code publications are incorporated by reference in...
49 CFR 41.120 - Acceptable model codes.
Code of Federal Regulations, 2010 CFR
2010-10-01
... 49 Transportation 1 2010-10-01 2010-10-01 false Acceptable model codes. 41.120 Section 41.120 Transportation Office of the Secretary of Transportation SEISMIC SAFETY § 41.120 Acceptable model codes. (a) This... of this part. (b)(1) The following are model codes which have been found to provide a level...
24 CFR 200.926b - Model codes.
Code of Federal Regulations, 2012 CFR
2012-04-01
... 24 Housing and Urban Development 2 2012-04-01 2012-04-01 false Model codes. 200.926b Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.926b Model codes. (a) Incorporation by reference. The following model code publications are incorporated by reference in...
24 CFR 200.926b - Model codes.
Code of Federal Regulations, 2011 CFR
2011-04-01
... 24 Housing and Urban Development 2 2011-04-01 2011-04-01 false Model codes. 200.926b Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.926b Model codes. (a) Incorporation by reference. The following model code publications are incorporated by reference in...
Subgroup A : nuclear model codes report to the Sixteenth Meeting of the WPEC
Talou, P.; Chadwick, M. B.; Dietrich, F. S.; Herman, M.; Kawano, T.; Konig, A.; Obložinský, P.
2004-01-01
The Subgroup A activities focus on the development of nuclear reaction models and codes, used in evaluation work for nuclear reactions from the unresolved energy region up to the pion threshold production limit, and for target nuclides from the low teens and heavier. Much of the efforts are devoted by each participant to the continuing development of their own Institution codes. Progresses in this arena are reported in detail for each code in the present document. EMPIRE-II is of public access. The release of the TALYS code has been announced for the ND2004 Conference in Santa Fe, NM, October 2004. McGNASH is still under development and is not expected to be released in the very near future. In addition, Subgroup A members have demonstrated a growing interest in working on common modeling and codes capabilities, which would significantly reduce the amount of duplicate work, help manage efficiently the growing lines of existing codes, and render codes inter-comparison much easier. A recent and important activity of the Subgroup A has therefore been to develop the framework and the first bricks of the ModLib library, which is constituted of mostly independent pieces of codes written in Fortran 90 (and above) to be used in existing and future nuclear reaction codes. Significant progresses in the development of ModLib have been made during the past year. Several physics modules have been added to the library, and a few more have been planned in detail for the coming year.
Direct containment heating models in the CONTAIN code
Washington, K.E.; Williams, D.C.
1995-08-01
The potential exists in a nuclear reactor core melt severe accident for molten core debris to be dispersed under high pressure into the containment building. If this occurs, the set of phenomena that result in the transfer of energy to the containment atmosphere and its surroundings is referred to as direct containment heating (DCH). Because of the potential for DCH to lead to early containment failure, the U.S. Nuclear Regulatory Commission (USNRC) has sponsored an extensive research program consisting of experimental, analytical, and risk integration components. An important element of the analytical research has been the development and assessment of direct containment heating models in the CONTAIN code. This report documents the DCH models in the CONTAIN code. DCH models in CONTAIN for representing debris transport, trapping, chemical reactions, and heat transfer from debris to the containment atmosphere and surroundings are described. The descriptions include the governing equations and input instructions in CONTAIN unique to performing DCH calculations. Modifications made to the combustion models in CONTAIN for representing the combustion of DCH-produced and pre-existing hydrogen under DCH conditions are also described. Input table options for representing the discharge of debris from the RPV and the entrainment phase of the DCH process are also described. A sample calculation is presented to demonstrate the functionality of the models. The results show that reasonable behavior is obtained when the models are used to predict the sixth Zion geometry integral effects test at 1/10th scale.
Transport model of nucleon-nucleus reaction
NASA Technical Reports Server (NTRS)
Wilson, J. W.; Townsend, L. W.; Cucinotta, F. A.
1986-01-01
A simplified model of nucleon-nucleus reaction is developed and some of its properties are examined. Comparisons with proton production measured for targets of Al-27, Ni-58, Zr-90, and Bi-209 show some hope for developing an accurate model for these complex reactions. It is suggested that binding effects are the next step required for further development.
Modeling Inhibitory Interneurons in Efficient Sensory Coding Models
Zhu, Mengchen; Rozell, Christopher J.
2015-01-01
There is still much unknown regarding the computational role of inhibitory cells in the sensory cortex. While modeling studies could potentially shed light on the critical role played by inhibition in cortical computation, there is a gap between the simplicity of many models of sensory coding and the biological complexity of the inhibitory subpopulation. In particular, many models do not respect that inhibition must be implemented in a separate subpopulation, with those inhibitory interneurons having a diversity of tuning properties and characteristic E/I cell ratios. In this study we demonstrate a computational framework for implementing inhibition in dynamical systems models that better respects these biophysical observations about inhibitory interneurons. The main approach leverages recent work related to decomposing matrices into low-rank and sparse components via convex optimization, and explicitly exploits the fact that models and input statistics often have low-dimensional structure that can be exploited for efficient implementations. While this approach is applicable to a wide range of sensory coding models (including a family of models based on Bayesian inference in a linear generative model), for concreteness we demonstrate the approach on a network implementing sparse coding. We show that the resulting implementation stays faithful to the original coding goals while using inhibitory interneurons that are much more biophysically plausible. PMID:26172289
Modeling Inhibitory Interneurons in Efficient Sensory Coding Models.
Zhu, Mengchen; Rozell, Christopher J
2015-07-01
There is still much unknown regarding the computational role of inhibitory cells in the sensory cortex. While modeling studies could potentially shed light on the critical role played by inhibition in cortical computation, there is a gap between the simplicity of many models of sensory coding and the biological complexity of the inhibitory subpopulation. In particular, many models do not respect that inhibition must be implemented in a separate subpopulation, with those inhibitory interneurons having a diversity of tuning properties and characteristic E/I cell ratios. In this study we demonstrate a computational framework for implementing inhibition in dynamical systems models that better respects these biophysical observations about inhibitory interneurons. The main approach leverages recent work related to decomposing matrices into low-rank and sparse components via convex optimization, and explicitly exploits the fact that models and input statistics often have low-dimensional structure that can be exploited for efficient implementations. While this approach is applicable to a wide range of sensory coding models (including a family of models based on Bayesian inference in a linear generative model), for concreteness we demonstrate the approach on a network implementing sparse coding. We show that the resulting implementation stays faithful to the original coding goals while using inhibitory interneurons that are much more biophysically plausible. PMID:26172289
Three Dimensional Thermal Abuse Reaction Model for Lithium Ion Batteries
Energy Science and Technology Software Center (ESTSC)
2006-06-29
Three dimensional computer models for simulating thermal runaway of lithium ion battery was developed. The three-dimensional model captures the shapes and dimensions of cell components and the spatial distributions of materials and temperatures, so we could consider the geometrical features, which are critical especially in large cells. An array of possible exothermic reactions, such as solid-electrolyte-interface (SEI) layer decomposition, negative active/electrolyte reaction, and positive active/electrolyte reaction, were considered and formulated to fit experimental data frommore » accelerating rate calorimetry and differential scanning calorimetry. User subroutine code was written to implement NREL developed approach and to utilize a commercially available solver. The model is proposed to use for simulation a variety of lithium-ion battery safety events including thermal heating and short circuit.« less
Three Dimensional Thermal Abuse Reaction Model for Lithium Ion Batteries
and Ahmad Pesaran, Gi-Heon Kim
2006-06-29
Three dimensional computer models for simulating thermal runaway of lithium ion battery was developed. The three-dimensional model captures the shapes and dimensions of cell components and the spatial distributions of materials and temperatures, so we could consider the geometrical features, which are critical especially in large cells. An array of possible exothermic reactions, such as solid-electrolyte-interface (SEI) layer decomposition, negative active/electrolyte reaction, and positive active/electrolyte reaction, were considered and formulated to fit experimental data from accelerating rate calorimetry and differential scanning calorimetry. User subroutine code was written to implement NREL developed approach and to utilize a commercially available solver. The model is proposed to use for simulation a variety of lithium-ion battery safety events including thermal heating and short circuit.
Code C# for chaos analysis of relativistic many-body systems with reactions
NASA Astrophysics Data System (ADS)
Grossu, I. V.; Besliu, C.; Jipa, Al.; Stan, E.; Esanu, T.; Felea, D.; Bordeianu, C. C.
2012-04-01
In this work we present a reaction module for “Chaos Many-Body Engine” (Grossu et al., 2010 [1]). Following our goal of creating a customizable, object oriented code library, the list of all possible reactions, including the corresponding properties (particle types, probability, cross section, particle lifetime, etc.), could be supplied as parameter, using a specific XML input file. Inspired by the Poincaré section, we propose also the “Clusterization Map”, as a new intuitive analysis method of many-body systems. For exemplification, we implemented a numerical toy-model for nuclear relativistic collisions at 4.5 A GeV/c (the SKM200 Collaboration). An encouraging agreement with experimental data was obtained for momentum, energy, rapidity, and angular π distributions. Catalogue identifier: AEGH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 184 628 No. of bytes in distributed program, including test data, etc.: 7 905 425 Distribution format: tar.gz Programming language: Visual C#.NET 2005 Computer: PC Operating system: Net Framework 2.0 running on MS Windows Has the code been vectorized or parallelized?: Each many-body system is simulated on a separate execution thread. One processor used for each many-body system. RAM: 128 Megabytes Classification: 6.2, 6.5 Catalogue identifier of previous version: AEGH_v1_0 Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 1464 External routines: Net Framework 2.0 Library Does the new version supersede the previous version?: Yes Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Solution method: Second order Runge-Kutta algorithm for simulating relativistic many-body systems with reactions
A Networks Approach to Modeling Enzymatic Reactions.
Imhof, P
2016-01-01
Modeling enzymatic reactions is a demanding task due to the complexity of the system, the many degrees of freedom involved and the complex, chemical, and conformational transitions associated with the reaction. Consequently, enzymatic reactions are not determined by precisely one reaction pathway. Hence, it is beneficial to obtain a comprehensive picture of possible reaction paths and competing mechanisms. By combining individually generated intermediate states and chemical transition steps a network of such pathways can be constructed. Transition networks are a discretized representation of a potential energy landscape consisting of a multitude of reaction pathways connecting the end states of the reaction. The graph structure of the network allows an easy identification of the energetically most favorable pathways as well as a number of alternative routes. PMID:27497170
Modeling shock-driven reaction in low density PMDI foam
NASA Astrophysics Data System (ADS)
Brundage, Aaron; Alexander, C. Scott; Reinhart, William; Peterson, David
Shock experiments on low density polyurethane foams reveal evidence of reaction at low impact pressures. However, these reaction thresholds are not evident over the low pressures reported for historical Hugoniot data of highly distended polyurethane at densities below 0.1 g/cc. To fill this gap, impact data given in a companion paper for polymethylene diisocyanate (PMDI) foam with a density of 0.087 g/cc were acquired for model validation. An equation of state (EOS) was developed to predict the shock response of these highly distended materials over the full range of impact conditions representing compaction of the inert material, low-pressure decomposition, and compression of the reaction products. A tabular SESAME EOS of the reaction products was generated using the JCZS database in the TIGER equilibrium code. In particular, the Arrhenius Burn EOS, a two-state model which transitions from an unreacted to a reacted state using single step Arrhenius kinetics, as implemented in the shock physics code CTH, was modified to include a statistical distribution of states. Hence, a single EOS is presented that predicts the onset to reaction due to shock loading in PMDI-based polyurethane foams. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's NNSA under Contract DE-AC04-94AL85000.
Software Model Checking Without Source Code
NASA Technical Reports Server (NTRS)
Chaki, Sagar; Ivers, James
2009-01-01
We present a framework, called AIR, for verifying safety properties of assembly language programs via software model checking. AIR extends the applicability of predicate abstraction and counterexample guided abstraction refinement to the automated verification of low-level software. By working at the assembly level, AIR allows verification of programs for which source code is unavailable-such as legacy and COTS software-and programs that use features-such as pointers, structures, and object-orientation-that are problematic for source-level software verification tools. In addition, AIR makes no assumptions about the underlying compiler technology. We have implemented a prototype of AIR and present encouraging results on several non-trivial examples.
Voinov, Alexander V.; Grimes, Steven M.; Brune, Carl R.; Burger, Alexander; Gorgen, Andreas; Guttormsen, Magne; Larsen, Ann -Cecilie; Massey, Thomas N.; Siem, Sunniva
2013-11-08
Proton double-differential cross sections from 59Co(α,p)62Ni, 57Fe(α,p)60Co, 56Fe(7Li,p)62Ni, and 55Mn(6Li,p)60Co reactions have been measured with 21-MeV α and 15-MeV lithium beams. Cross sections have been compared against calculations with the empire reaction code. Different input level density models have been tested. It was found that the Gilbert and Cameron [A. Gilbert and A. G. W. Cameron, Can. J. Phys. 43, 1446 (1965)] level density model is best to reproduce experimental data. Level densities and spin cutoff parameters for 62Ni and 60Co above the excitation energy range of discrete levels (in continuum) have been obtained with a Monte Carlo technique. Furthermore,more » excitation energy dependencies were found to be inconsistent with the Fermi-gas model.« less
NASA Astrophysics Data System (ADS)
Voinov, A. V.; Grimes, S. M.; Brune, C. R.; Bürger, A.; Görgen, A.; Guttormsen, M.; Larsen, A. C.; Massey, T. N.; Siem, S.
2013-11-01
Proton double-differential cross sections from 59Co(α,p)62Ni, 57Fe(α,p)60Co, 56Fe(7Li,p)62Ni, and 55Mn(6Li,p)60Co reactions have been measured with 21-MeV α and 15-MeV lithium beams. Cross sections have been compared against calculations with the empire reaction code. Different input level density models have been tested. It was found that the Gilbert and Cameron [A. Gilbert and A. G. W. Cameron, Can. J. Phys.0008-420410.1139/p65-139 43, 1446 (1965)] level density model is best to reproduce experimental data. Level densities and spin cutoff parameters for 62Ni and 60Co above the excitation energy range of discrete levels (in continuum) have been obtained with a Monte Carlo technique. Excitation energy dependencies were found to be inconsistent with the Fermi-gas model.
A model for astrophysical spallation reactions
NASA Technical Reports Server (NTRS)
Schmitt, W. F.; Ayres, C. L.; Merker, M.; Shen, B. S. P.
1974-01-01
A Monte-Carlo model (RENO) for spallation reactions is described which can treat both the spallations induced by a free nucleon and those induced by a complex nucleus. It differs from other such models in that it employs a discrete-nucleon representation of the nucleus and allows clusters of nucleons to form and to participate in the reaction. The RENO model is particularly suited for spallations involving the relatively light nuclei of astrophysical and cosmic-ray interest.
NASA Astrophysics Data System (ADS)
Plante, Ianik; Devroye, Luc
2015-09-01
Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well.
Plante, Ianik; Devroye, Luc
2015-09-15
Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well.
A model for reaction rates in turbulent reacting flows
NASA Technical Reports Server (NTRS)
Chinitz, W.; Evans, J. S.
1984-01-01
To account for the turbulent temperature and species-concentration fluctuations, a model is presented on the effects of chemical reaction rates in computer analyses of turbulent reacting flows. The model results in two parameters which multiply the terms in the reaction-rate equations. For these two parameters, graphs are presented as functions of the mean values and intensity of the turbulent fluctuations of the temperature and species concentrations. These graphs will facilitate incorporation of the model into existing computer programs which describe turbulent reacting flows. When the model was used in a two-dimensional parabolic-flow computer code to predict the behavior of an experimental, supersonic hydrogen jet burning in air, some improvement in agreement with the experimental data was obtained in the far field in the region near the jet centerline. Recommendations are included for further improvement of the model and for additional comparisons with experimental data.
Simulink Code Generation: Tutorial for Generating C Code from Simulink Models using Simulink Coder
NASA Technical Reports Server (NTRS)
MolinaFraticelli, Jose Carlos
2012-01-01
This document explains all the necessary steps in order to generate optimized C code from Simulink Models. This document also covers some general information on good programming practices, selection of variable types, how to organize models and subsystems, and finally how to test the generated C code and compare it with data from MATLAB.
Modeling of turbulent chemical reaction
NASA Technical Reports Server (NTRS)
Chen, J.-Y.
1995-01-01
Viewgraphs are presented on modeling turbulent reacting flows, regimes of turbulent combustion, regimes of premixed and regimes of non-premixed turbulent combustion, chemical closure models, flamelet model, conditional moment closure (CMC), NO(x) emissions from turbulent H2 jet flames, probability density function (PDF), departures from chemical equilibrium, mixing models for PDF methods, comparison of predicted and measured H2O mass fractions in turbulent nonpremixed jet flames, experimental evidence of preferential diffusion in turbulent jet flames, and computation of turbulent reacting flows.
Evaluation of reaction rates in streambed sediments with seepage flow: a novel code
NASA Astrophysics Data System (ADS)
Boano, Fulvio; De Falco, Natalie; Arnon, Shai
2015-04-01
Streambed interfaces represent hotspots for nutrient transformations because they host different microbial species which perform many heterotrophic and autotrophic reactions. The evaluation of these reaction rates is crucial to assess the fate of nutrients in riverine environments, and it is often performed through the analysis of concentrations from water samples collected along vertical profiles. The most commonly employed evaluation tool is the Profile code developed by Berg et al. (1998), which determines reaction rates by fitting observed concentrations to a diffusion-reaction equation that neglects the presence of water flow within sediments. However, hyporheic flow is extremely common in streambeds, where solute transport is often controlled by advection rather than diffusion. There is hence a pressing need to develop new methods that can be applied even to advection-dominated sediments. This contribution fills this gap by presenting a novel approach that extends the method proposed by Berg et al. (1998). This new approach includes the influence of vertical solute transport by upwelling or downwelling water, and it is this suited to the typical flow conditions of stream sediments. The code is applied to vertical profiles of dissolved oxygen from a laboratory flume designed to mimic the complex flow conditions of real streams. The results show that it is fundamental to consider water flow to obtain reliable estimates of reaction rates in streambeds. Berg, P., N. Risgaard-Petersen, and S. Rysgaard, 1998, Interpretation of measured concentration profiles in the sediment porewater, Limnology and Oceanography, 43:1500-1510.
Energy Science and Technology Software Center (ESTSC)
2007-07-09
Version 02 PRECO-2006 is a two-component exciton model code for the calculation of double differential cross sections of light particle nuclear reactions. PRECO calculates the emission of light particles (A = 1 to 4) from nuclear reactions induced by light particles on a wide variety of target nuclei. Their distribution in both energy and angle is calculated. Since it currently only considers the emission of up to two particles in any given reaction, it ismore » most useful for incident energies of 14 to 30 MeV when used as a stand-alone code. However, the preequilibrium calculations are valid up to at least around 100 MeV, and these can be used as input for more complete evaporation calculations, such as are performed in a Hauser-Feshbach model code. Finally, the production cross sections for specific product nuclides can be obtained« less
Implementation of a kappa-epsilon turbulence model to RPLUS3D code
NASA Technical Reports Server (NTRS)
Chitsomboon, Tawit
1992-01-01
The RPLUS3D code has been developed at the NASA Lewis Research Center to support the National Aerospace Plane (NASP) project. The code has the ability to solve three dimensional flowfields with finite rate combustion of hydrogen and air. The combustion process of the hydrogen-air system are simulated by an 18 reaction path, 8 species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though a fully implicit numerical algorithm is used. A k-epsilon turbulence model has recently been incorporated into the code. Initial validations have been conducted for a flow over a flat plate. Results of the validation studies are shown. Some difficulties in implementing the k-epsilon equations to the code are also discussed.
Astrophysical Plasmas: Codes, Models, and Observations
NASA Astrophysics Data System (ADS)
Canto, Jorge; Rodriguez, Luis F.
2000-05-01
The conference Astrophysical Plasmas: Codes, Models, and Observations was aimed at discussing the most recent advances, arid some of the avenues for future work, in the field of cosmical plasmas. It was held (hiring the week of October 25th to 29th 1999, at the Centro Nacional de las Artes (CNA) in Mexico City, Mexico it modern and impressive center of theaters and schools devoted to the performing arts. This was an excellent setting, for reviewing the present status of observational (both on earth and in space) arid theoretical research. as well as some of the recent advances of laboratory research that are relevant, to astrophysics. The demography of the meeting was impressive: 128 participants from 12 countries in 4 continents, a large fraction of them, 29% were women and most of them were young persons (either recent Ph.Ds. or graduate students). This created it very lively and friendly atmosphere that made it easy to move from the ionization of the Universe and high-redshift absorbers, to Active Galactic Nucleotides (AGN)s and X-rays from galaxies, to the gas in the Magellanic Clouds and our Galaxy, to the evolution of H II regions and Planetary Nebulae (PNe), and to the details of plasmas in the Solar System and the lab. All these topics were well covered with 23 invited talks, 43 contributed talks. and 22 posters. Most of them are contained in these proceedings, in the same order of the presentations.
Review and verification of CARE 3 mathematical model and code
NASA Technical Reports Server (NTRS)
Rose, D. M.; Altschul, R. E.; Manke, J. W.; Nelson, D. L.
1983-01-01
The CARE-III mathematical model and code verification performed by Boeing Computer Services were documented. The mathematical model was verified for permanent and intermittent faults. The transient fault model was not addressed. The code verification was performed on CARE-III, Version 3. A CARE III Version 4, which corrects deficiencies identified in Version 3, is being developed.
Results and code prediction comparisons of lithium-air reaction and aerosol behavior tests
Jeppson, D.W.
1986-03-01
The Hanford Engineering Development Laboratory (HEDL) Fusion Safety Support Studies include evaluation of potential safety and environmental concerns associated with the use of liquid lithium as a breeder and coolant for fusion reactors. Potential mechanisms for volatilization and transport of radioactive metallic species associated with breeder materials are of particular interest. Liquid lithium pool-air reaction and aerosol behavior tests were conducted with lithium masses up to 100 kg within the 850-m/sup 3/ containment vessel in the Containment Systems Test Facility. Lithium-air reaction rates, aerosol generation rates, aerosol behavior and characterization, as well as containment atmosphere temperature and pressure responses were determined. Pool-air reaction and aerosol behavior test results were compared with computer code calculations for reaction rates, containment atmosphere response, and aerosol behavior. The volatility of potentially radioactive metallic species from a lithium pool-air reaction was measured. The response of various aerosol detectors to the aerosol generated was determined. Liquid lithium spray tests in air and in nitrogen atmospheres were conducted with lithium temperatures of about 427/sup 0/ and 650/sup 0/C. Lithium reaction rates, containment atmosphere response, and aerosol generation and characterization were determined for these spray tests.
24 CFR 200.926c - Model code provisions for use in partially accepted code jurisdictions.
Code of Federal Regulations, 2012 CFR
2012-04-01
... 24 Housing and Urban Development 2 2012-04-01 2012-04-01 false Model code provisions for use in partially accepted code jurisdictions. 200.926c Section 200.926c Housing and Urban Development Regulations Relating to Housing and Urban Development (Continued) OFFICE OF ASSISTANT SECRETARY FOR...
24 CFR 200.926c - Model code provisions for use in partially accepted code jurisdictions.
Code of Federal Regulations, 2011 CFR
2011-04-01
... 24 Housing and Urban Development 2 2011-04-01 2011-04-01 false Model code provisions for use in partially accepted code jurisdictions. 200.926c Section 200.926c Housing and Urban Development Regulations Relating to Housing and Urban Development (Continued) OFFICE OF ASSISTANT SECRETARY FOR HOUSING-FEDERAL HOUSING COMMISSIONER, DEPARTMENT...
24 CFR 200.926c - Model code provisions for use in partially accepted code jurisdictions.
Code of Federal Regulations, 2010 CFR
2010-04-01
... 24 Housing and Urban Development 2 2010-04-01 2010-04-01 false Model code provisions for use in partially accepted code jurisdictions. 200.926c Section 200.926c Housing and Urban Development Regulations Relating to Housing and Urban Development (Continued) OFFICE OF ASSISTANT SECRETARY FOR HOUSING-FEDERAL HOUSING COMMISSIONER, DEPARTMENT...
Mathematical model to predict drivers' reaction speeds.
Long, Benjamin L; Gillespie, A Isabella; Tanaka, Martin L
2012-02-01
Mental distractions and physical impairments can increase the risk of accidents by affecting a driver's ability to control the vehicle. In this article, we developed a linear mathematical model that can be used to quantitatively predict drivers' performance over a variety of possible driving conditions. Predictions were not limited only to conditions tested, but also included linear combinations of these tests conditions. Two groups of 12 participants were evaluated using a custom drivers' reaction speed testing device to evaluate the effect of cell phone talking, texting, and a fixed knee brace on the components of drivers' reaction speed. Cognitive reaction time was found to increase by 24% for cell phone talking and 74% for texting. The fixed knee brace increased musculoskeletal reaction time by 24%. These experimental data were used to develop a mathematical model to predict reaction speed for an untested condition, talking on a cell phone with a fixed knee brace. The model was verified by comparing the predicted reaction speed to measured experimental values from an independent test. The model predicted full braking time within 3% of the measured value. Although only a few influential conditions were evaluated, we present a general approach that can be expanded to include other types of distractions, impairments, and environmental conditions. PMID:22431214
Numerical MHD codes for modeling astrophysical flows
NASA Astrophysics Data System (ADS)
Koldoba, A. V.; Ustyugova, G. V.; Lii, P. S.; Comins, M. L.; Dyda, S.; Romanova, M. M.; Lovelace, R. V. E.
2016-05-01
We describe a Godunov-type magnetohydrodynamic (MHD) code based on the Miyoshi and Kusano (2005) solver which can be used to solve various astrophysical hydrodynamic and MHD problems. The energy equation is in the form of entropy conservation. The code has been implemented on several different coordinate systems: 2.5D axisymmetric cylindrical coordinates, 2D Cartesian coordinates, 2D plane polar coordinates, and fully 3D cylindrical coordinates. Viscosity and diffusivity are implemented in the code to control the accretion rate in the disk and the rate of penetration of the disk matter through the magnetic field lines. The code has been utilized for the numerical investigations of a number of different astrophysical problems, several examples of which are shown.
Level density inputs in nuclear reaction codes and the role of the spin cutoff parameter
Voinov, A. V.; Grimes, S. M.; Brune, C. R.; Burger, A.; Gorgen, A.; Guttormsen, M.; Larsen, A. C.; Massey, T. N.; Siem, S.
2014-09-03
Here, the proton spectrum from the 57Fe(α,p) reaction has been measured and analyzed with the Hauser-Feshbach model of nuclear reactions. Different input level density models have been tested. It was found that the best description is achieved with either Fermi-gas or constant temperature model functions obtained by fitting them to neutron resonance spacing and to discrete levels and using the spin cutoff parameter with much weaker excitation energy dependence than it is predicted by the Fermi-gas model.
Level density inputs in nuclear reaction codes and the role of the spin cutoff parameter
Voinov, A. V.; Grimes, S. M.; Brune, C. R.; Burger, A.; Gorgen, A.; Guttormsen, M.; Larsen, A. C.; Massey, T. N.; Siem, S.
2014-09-03
Here, the proton spectrum from the ^{57}Fe(α,p) reaction has been measured and analyzed with the Hauser-Feshbach model of nuclear reactions. Different input level density models have been tested. It was found that the best description is achieved with either Fermi-gas or constant temperature model functions obtained by fitting them to neutron resonance spacing and to discrete levels and using the spin cutoff parameter with much weaker excitation energy dependence than it is predicted by the Fermi-gas model.
Level Density Inputs in Nuclear Reaction Codes and the Role of the Spin Cutoff Parameter
NASA Astrophysics Data System (ADS)
Voinov, A. V.; Grimes, S. M.; Brune, C. R.; Bürger, A.; Görgen, A.; Guttormsen, M.; Larsen, A. C.; Massey, T. N.; Siem, S.
2014-05-01
The proton spectrum from the 57Fe(α, p) reaction has been measured and analyzed with the Hauser-Feshbach model of nuclear reactions. Different input level density models have been tested. It was found that the best description is achieved with either Fermi-gas or constant temperature model functions obtained by fitting them to neutron resonance spacings and to discrete levels and using the spin cutoff parameter with much a weaker excitation energy dependence than predicted by the Fermi-gas model.
Energy standards and model codes development, adoption, implementation, and enforcement
Conover, D.R.
1994-08-01
This report provides an overview of the energy standards and model codes process for the voluntary sector within the United States. The report was prepared by Pacific Northwest Laboratory (PNL) for the Building Energy Standards Program and is intended to be used as a primer or reference on this process. Building standards and model codes that address energy have been developed by organizations in the voluntary sector since the early 1970s. These standards and model codes provide minimum energy-efficient design and construction requirements for new buildings and, in some instances, existing buildings. The first step in the process is developing new or revising existing standards or codes. There are two overall differences between standards and codes. Energy standards are developed by a consensus process and are revised as needed. Model codes are revised on a regular annual cycle through a public hearing process. In addition to these overall differences, the specific steps in developing/revising energy standards differ from model codes. These energy standards or model codes are then available for adoption by states and local governments. Typically, energy standards are adopted by or adopted into model codes. Model codes are in turn adopted by states through either legislation or regulation. Enforcement is essential to the implementation of energy standards and model codes. Low-rise residential construction is generally evaluated for compliance at the local level, whereas state agencies tend to be more involved with other types of buildings. Low-rise residential buildings also may be more easily evaluated for compliance because the governing requirements tend to be less complex than for commercial buildings.
24 CFR 200.925c - Model codes.
Code of Federal Regulations, 2014 CFR
2014-04-01
... 24 Housing and Urban Development 2 2014-04-01 2014-04-01 false Model codes. 200.925c Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.925c Model codes. (a... CFR part 51. The incorporation by reference of these publications has been approved by the Director...
24 CFR 200.925c - Model codes.
Code of Federal Regulations, 2010 CFR
2010-04-01
... 24 Housing and Urban Development 2 2010-04-01 2010-04-01 false Model codes. 200.925c Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.925c Model codes. (a... CFR part 51. The incorporation by reference of these publications has been approved by the Director...
24 CFR 200.925c - Model codes.
Code of Federal Regulations, 2011 CFR
2011-04-01
... 24 Housing and Urban Development 2 2011-04-01 2011-04-01 false Model codes. 200.925c Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.925c Model codes. (a... CFR part 51. The incorporation by reference of these publications has been approved by the Director...
24 CFR 200.925c - Model codes.
Code of Federal Regulations, 2012 CFR
2012-04-01
... 24 Housing and Urban Development 2 2012-04-01 2012-04-01 false Model codes. 200.925c Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.925c Model codes. (a... CFR part 51. The incorporation by reference of these publications has been approved by the Director...
24 CFR 200.925c - Model codes.
Code of Federal Regulations, 2013 CFR
2013-04-01
... 24 Housing and Urban Development 2 2013-04-01 2013-04-01 false Model codes. 200.925c Section 200... DEVELOPMENT GENERAL INTRODUCTION TO FHA PROGRAMS Minimum Property Standards § 200.925c Model codes. (a... CFR part 51. The incorporation by reference of these publications has been approved by the Director...
40 CFR 194.23 - Models and computer codes.
Code of Federal Regulations, 2012 CFR
2012-07-01
... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 26 2012-07-01 2011-07-01 true Models and computer codes....
40 CFR 194.23 - Models and computer codes.
Code of Federal Regulations, 2011 CFR
2011-07-01
... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Models and computer codes....
40 CFR 194.23 - Models and computer codes.
Code of Federal Regulations, 2013 CFR
2013-07-01
... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 26 2013-07-01 2013-07-01 false Models and computer codes....
40 CFR 194.23 - Models and computer codes.
Code of Federal Regulations, 2010 CFR
2010-07-01
... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Models and computer codes....
40 CFR 194.23 - Models and computer codes.
Code of Federal Regulations, 2014 CFR
2014-07-01
... COMPLIANCE WITH THE 40 CFR PART 191 DISPOSAL REGULATIONS Compliance Certification and Re-certification General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... 40 Protection of Environment 25 2014-07-01 2014-07-01 false Models and computer codes....
Secondary neutron source modelling using MCNPX and ALEPH codes
NASA Astrophysics Data System (ADS)
Trakas, Christos; Kerkar, Nordine
2014-06-01
Monitoring the subcritical state and divergence of reactors requires the presence of neutron sources. But mainly secondary neutrons from these sources feed the ex-core detectors (SRD, Source Range Detector) whose counting rate is correlated with the level of the subcriticality of reactor. In cycle 1, primary neutrons are provided by sources activated outside of the reactor (e.g. Cf252); part of this source can be used for the divergence of cycle 2 (not systematic). A second family of neutron sources is used for the second cycle: the spontaneous neutrons of actinides produced after irradiation of fuel in the first cycle. Both families of sources are not sufficient to efficiently monitor the divergence of the second cycles and following ones, in most reactors. Secondary sources cluster (SSC) fulfil this role. In the present case, the SSC [Sb, Be], after activation in the first cycle (production of Sb124, unstable), produces in subsequent cycles a photo-neutron source by gamma (from Sb124)-neutron (on Be9) reaction. This paper presents the model of the process between irradiation in cycle 1 and cycle 2 results for SRD counting rate at the beginning of cycle 2, using the MCNPX code and the depletion chain ALEPH-V1 (coupling of MCNPX and ORIGEN codes). The results of this simulation are compared with two experimental results of the PWR 1450 MWe-N4 reactors. A good agreement is observed between these results and the simulations. The subcriticality of the reactors is about at -15,000 pcm. Discrepancies on the SRD counting rate between calculations and measurements are in the order of 10%, lower than the combined uncertainty of measurements and code simulation. This comparison validates the AREVA methodology, which allows having an SRD counting rate best-estimate for cycles 2 and next ones and optimizing the position of the SSC, depending on the geographic location of sources, main parameter for optimal monitoring of subcritical states.
CFD code evaluation for internal flow modeling
NASA Technical Reports Server (NTRS)
Chung, T. J.
1990-01-01
Research on the computational fluid dynamics (CFD) code evaluation with emphasis on supercomputing in reacting flows is discussed. Advantages of unstructured grids, multigrids, adaptive methods, improved flow solvers, vector processing, parallel processing, and reduction of memory requirements are discussed. As examples, researchers include applications of supercomputing to reacting flow Navier-Stokes equations including shock waves and turbulence and combustion instability problems associated with solid and liquid propellants. Evaluation of codes developed by other organizations are not included. Instead, the basic criteria for accuracy and efficiency have been established, and some applications on rocket combustion have been made. Research toward an ultimate goal, the most accurate and efficient CFD code, is in progress and will continue for years to come.
Development of a model and computer code to describe solar grade silicon production processes
NASA Technical Reports Server (NTRS)
Srivastava, R.; Gould, R. K.
1979-01-01
Mathematical models, and computer codes based on these models were developed which allow prediction of the product distribution in chemical reactors in which gaseous silicon compounds are converted to condensed phase silicon. The reactors to be modeled are flow reactors in which silane or one of the halogenated silanes is thermally decomposed or reacted with an alkali metal, H2 or H atoms. Because the product of interest is particulate silicon, processes which must be modeled, in addition to mixing and reaction of gas-phase reactants, include the nucleation and growth of condensed Si via coagulation, condensation, and heterogeneous reaction.
ERIC Educational Resources Information Center
Lantto, Hanna
2016-01-01
This study examines the manifestations of purity and authenticity in 47 Basque bilinguals' reactions to code-switching. The respondents listened to two speech extracts with code-switching, filled in a short questionnaire and talked about the extracts in small groups. These conversations were then recorded. The respondents' beliefs can be…
Aerosol kinetic code "AERFORM": Model, validation and simulation results
NASA Astrophysics Data System (ADS)
Gainullin, K. G.; Golubev, A. I.; Petrov, A. M.; Piskunov, V. N.
2016-06-01
The aerosol kinetic code "AERFORM" is modified to simulate droplet and ice particle formation in mixed clouds. The splitting method is used to calculate condensation and coagulation simultaneously. The method is calibrated with analytic solutions of kinetic equations. Condensation kinetic model is based on cloud particle growth equation, mass and heat balance equations. The coagulation kinetic model includes Brownian, turbulent and precipitation effects. The real values are used for condensation and coagulation growth of water droplets and ice particles. The model and the simulation results for two full-scale cloud experiments are presented. The simulation model and code may be used autonomously or as an element of another code.
Modeling coal chemistry: One electron catalytic reactions
Farcasiu, M.; Smith, C.; Hunter, E.A. )
1991-01-01
The complexity of the coal structure, in general, and of its organic part, in particular, prevents a rigorous study of coal chemistry. The use of model compounds with less complicated chemical structures to model specific reactions relevant to coal transformation into useful products is necessary and helpful. This is true, however, only if the modeling is properly applied and especially if the results are not excessively extrapolated to all aspects of coal reactivity. The emphasis on all catalytic routes in coal liquefaction has enhanced the interest in the study of the chemistry involved in heterogeneous catalytic reactions relevant to the first stage, solubilization, of coal. One of the important reactions associated with this first stage is the cleavage of carbon-carbon bonds linking aromatic rings with aliphatic moieties. In previous publications (1,2,3) we have used a model compound 4-(l-naphthylmethyl)bibenzyl (1) in which the bond linking the naphthalene ring to a methylene carbon can be selectively cleaved by specific catalysts (i.e. carbon materials, some iron catalysts) at temperatures at which thermal, free radical-initiated reactions, do not take place. Our data suggest that the above-mentioned catalytic cleavage is initiated by the ion radical of 1, with the unpaired electron localized in the naphthalene ring.
Modeling coal chemistry: One electron catalytic reactions
Farcasiu, M.; Smith, C.; Hunter, E.A.
1991-12-31
The complexity of the coal structure, in general, and of its organic part, in particular, prevents a rigorous study of coal chemistry. The use of model compounds with less complicated chemical structures to model specific reactions relevant to coal transformation into useful products is necessary and helpful. This is true, however, only if the modeling is properly applied and especially if the results are not excessively extrapolated to all aspects of coal reactivity. The emphasis on all catalytic routes in coal liquefaction has enhanced the interest in the study of the chemistry involved in heterogeneous catalytic reactions relevant to the first stage, solubilization, of coal. One of the important reactions associated with this first stage is the cleavage of carbon-carbon bonds linking aromatic rings with aliphatic moieties. In previous publications (1,2,3) we have used a model compound 4-(l-naphthylmethyl)bibenzyl (1) in which the bond linking the naphthalene ring to a methylene carbon can be selectively cleaved by specific catalysts (i.e. carbon materials, some iron catalysts) at temperatures at which thermal, free radical-initiated reactions, do not take place. Our data suggest that the above-mentioned catalytic cleavage is initiated by the ion radical of 1, with the unpaired electron localized in the naphthalene ring.
Wells, J.T. . Dept. of Geological Sciences); Janecky, D.R.; Travis, B.J. )
1990-01-15
A lattice gas automata (LGA) model is described, which couples solute transport with chemical reactions at mineral surfaces and in pore networks. Chemical reactions and transport are integrated into a FHP-I LGA code as a module so that the approach is readily transportable to other codes. Diffusion in a box calculations are compared to finite element Fickian diffusion results and provide an approach to quantifying space-time ratios of the models. Chemical reactions at solid surfaces, including precipitation/dissolution, sorption, and catalytic reaction, can be examined with the model because solute diffusion and mineral surface processes are all treated explicitly. The simplicity and flexibility of the LGA approach provides the ability to study the interrelationship between fluid flow and chemical reactions in porous materials, at a level of complexity that has not previously been computationally possible. 20 refs., 8 figs.
Competing reaction model with many absorbing configurations.
de Andrade, M F; Figueiredo, W
2010-02-01
We study a competitive reaction model between two monomers A and B on a linear lattice. We assume that monomer A can react with a nearest-neighbor monomer A or B , but reactions between monomers of type B are prohibited. We include in our model lateral interactions between monomers as well as the effects of temperature of the catalyst. The model is considered in the adsorption controlled limit, where the reaction rate is infinitely larger than the adsorption rate of the monomers. We employ site and pair mean-field approximations as well as static Monte Carlo simulations. We determine the phase diagram of the model in the plane y_{A} versus temperature, where y_{A} is the probability that a monomer of the type A arrives at the surface. This phase diagram shows regions of active and absorbing states separated by a line of continuous phase transitions. Despite the absorbing state of the model to be strongly dependent on temperature, we show that the static critical exponents of the model belong to the same universality class of the directed percolation. PMID:20365537
Heavy Ion Reaction Modeling for Hadrontherapy Applications
Cerutti, F.; Ferrari, A.; Enghardt, W.; Gadioli, E.; Mairani, A.; Parodi, K.; Sommerer, F.
2007-10-26
A comprehensive and reliable description of nucleus-nucleus interactions represents a crucial need in different interdisciplinary fields. In particular, hadrontherapy monitoring by means of in-beam positron emission tomography (PET) requires, in addition to measuring, the capability of calculating the activity of {beta}{sup +}-decaying nuclei produced in the irradiated tissue. For this purpose, in view of treatment monitoring at the Heidelberg Ion Therapy (HIT) facility, the transport and interaction Monte Carlo code FLUKA is a promising candidate. It is provided with the description of heavy ion reactions at intermediate and low energies by two specific event generators. In-beam PET experiments performed at GSI for a few beam-target combinations have been simulated and first comparisons between the measured and calculated {beta}{sup +}-activity are available.
NASA Technical Reports Server (NTRS)
Magnotti, F.; Diskin, G.; Matulaitis, J.; Chinitz, W.
1984-01-01
The use of silane (SiH4) as an effective ignitor and flame stabilizing pilot fuel is well documented. A reliable chemical kinetic mechanism for prediction of its behavior at the conditions encountered in the combustor of a SCRAMJET engine was calculated. The effects of hydrogen addition on hydrocarbon ignition and flame stabilization as a means for reduction of lengthy ignition delays and reaction times were studied. The ranges of applicability of chemical kinetic models of hydrogen-air combustors were also investigated. The CHARNAL computer code was applied to the turbulent reaction rate modeling.
Magnotti, F.; Diskin, G.; Matulaitis, J.; Chinitz, W.
1984-01-01
The use of silane (SiH4) as an effective ignitor and flame stabilizing pilot fuel is well documented. A reliable chemical kinetic mechanism for prediction of its behavior at the conditions encountered in the combustor of a SCRAMJET engine was calculated. The effects of hydrogen addition on hydrocarbon ignition and flame stabilization as a means for reduction of lengthy ignition delays and reaction times were studied. The ranges of applicability of chemical kinetic models of hydrogen-air combustors were also investigated. The CHARNAL computer code was applied to the turbulent reaction rate modeling.
RELAP5/MOD3 code manual: Code structure, system models, and solution methods. Volume 1
1995-08-01
The RELAP5 code has been developed for best estimate transient simulation of light water reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents, and operational transients, such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling, approach is used that permits simulating a variety of thermal hydraulic systems. Control system and secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems. RELAP5/MOD3 code documentation is divided into seven volumes: Volume I provides modeling theory and associated numerical schemes.
28 CFR 36.608 - Guidance concerning model codes.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Guidance concerning model codes. 36.608 Section 36.608 Judicial Administration DEPARTMENT OF JUSTICE NONDISCRIMINATION ON THE BASIS OF DISABILITY BY PUBLIC ACCOMMODATIONS AND IN COMMERCIAL FACILITIES Certification of State Laws or Local Building Codes § 36.608 Guidance concerning...
Theory and Modeling of Asymmetric Catalytic Reactions.
Lam, Yu-Hong; Grayson, Matthew N; Holland, Mareike C; Simon, Adam; Houk, K N
2016-04-19
Modern density functional theory and powerful contemporary computers have made it possible to explore complex reactions of value in organic synthesis. We describe recent explorations of mechanisms and origins of stereoselectivities with density functional theory calculations. The specific functionals and basis sets that are routinely used in computational studies of stereoselectivities of organic and organometallic reactions in our group are described, followed by our recent studies that uncovered the origins of stereocontrol in reactions catalyzed by (1) vicinal diamines, including cinchona alkaloid-derived primary amines, (2) vicinal amidophosphines, and (3) organo-transition-metal complexes. Two common cyclic models account for the stereoselectivity of aldol reactions of metal enolates (Zimmerman-Traxler) or those catalyzed by the organocatalyst proline (Houk-List). Three other models were derived from computational studies described in this Account. Cinchona alkaloid-derived primary amines and other vicinal diamines are venerable asymmetric organocatalysts. For α-fluorinations and a variety of aldol reactions, vicinal diamines form enamines at one terminal amine and activate electrophilically with NH(+) or NF(+) at the other. We found that the stereocontrolling transition states are cyclic and that their conformational preferences are responsible for the observed stereoselectivity. In fluorinations, the chair seven-membered cyclic transition states is highly favored, just as the Zimmerman-Traxler chair six-membered aldol transition state controls stereoselectivity. In aldol reactions with vicinal diamine catalysts, the crown transition states are favored, both in the prototype and in an experimental example, shown in the graphic. We found that low-energy conformations of cyclic transition states occur and control stereoselectivities in these reactions. Another class of bifunctional organocatalysts, the vicinal amidophosphines, catalyzes the (3 + 2) annulation
Towards many-body based nuclear reaction modelling
NASA Astrophysics Data System (ADS)
Hilaire, Stéphane; Goriely, Stéphane
2016-06-01
The increasing need for cross sections far from the valley of stability poses a challenge for nuclear reaction models. So far, predictions of cross sections have relied on more or less phenomenological approaches, depending on parameters adjusted to available experimental data or deduced from systematic expressions. While such predictions are expected to be reliable for nuclei not too far from the experimentally known regions, it is clearly preferable to use more fundamental approaches, based on sound physical principles, when dealing with very exotic nuclei. Thanks to the high computer power available today, all the ingredients required to model a nuclear reaction can now be (and have been) microscopically (or semi-microscopically) determined starting from the information provided by a nucleon-nucleon effective interaction. This concerns nuclear masses, optical model potential, nuclear level densities, photon strength functions, as well as fission barriers. All these nuclear model ingredients, traditionally given by phenomenological expressions, now have a microscopic counterpart implemented in the TALYS nuclear reaction code. We are thus now able to perform fully microscopic cross section calculations. The quality of these ingredients and the impact of using them instead of the usually adopted phenomenological parameters will be discussed. Perspectives for the coming years will be drawn on the improvements one can expect.
EM modeling for GPIR using 3D FDTD modeling codes
Nelson, S.D.
1994-10-01
An analysis of the one-, two-, and three-dimensional electrical characteristics of structural cement and concrete is presented. This work connects experimental efforts in characterizing cement and concrete in the frequency and time domains with the Finite Difference Time Domain (FDTD) modeling efforts of these substances. These efforts include Electromagnetic (EM) modeling of simple lossless homogeneous materials with aggregate and targets and the modeling dispersive and lossy materials with aggregate and complex target geometries for Ground Penetrating Imaging Radar (GPIR). Two- and three-dimensional FDTD codes (developed at LLNL) where used for the modeling efforts. Purpose of the experimental and modeling efforts is to gain knowledge about the electrical properties of concrete typically used in the construction industry for bridges and other load bearing structures. The goal is to optimize the performance of a high-sample-rate impulse radar and data acquisition system and to design an antenna system to match the characteristics of this material. Results show agreement to within 2 dB of the amplitudes of the experimental and modeled data while the frequency peaks correlate to within 10% the differences being due to the unknown exact nature of the aggregate placement.
Two-dimensional MHD generator model. [GEN code
Geyer, H. K.; Ahluwalia, R. K.; Doss, E. D.
1980-09-01
A steady state, two-dimensional MHD generator code, GEN, is presented. The code solves the equations of conservation of mass, momentum, and energy, using a Von Mises transformation and a local linearization of the equations. By splitting the source terms into a part proportional to the axial pressure gradient and a part independent of the gradient, the pressure distribution along the channel is easily obtained to satisfy various criteria. Thus, the code can run effectively in both design modes, where the channel geometry is determined, and analysis modes, where the geometry is previously known. The code also employs a mixing length concept for turbulent flows, Cebeci and Chang's wall roughness model, and an extension of that model to the effective thermal diffusities. Results on code validation, as well as comparisons of skin friction and Stanton number calculations with experimental results, are presented.
Subgrid Combustion Modeling for the Next Generation National Combustion Code
NASA Technical Reports Server (NTRS)
Menon, Suresh; Sankaran, Vaidyanathan; Stone, Christopher
2003-01-01
In the first year of this research, a subgrid turbulent mixing and combustion methodology developed earlier at Georgia Tech has been provided to researchers at NASA/GRC for incorporation into the next generation National Combustion Code (called NCCLES hereafter). A key feature of this approach is that scalar mixing and combustion processes are simulated within the LES grid using a stochastic 1D model. The subgrid simulation approach recovers locally molecular diffusion and reaction kinetics exactly without requiring closure and thus, provides an attractive feature to simulate complex, highly turbulent reacting flows of interest. Data acquisition algorithms and statistical analysis strategies and routines to analyze NCCLES results have also been provided to NASA/GRC. The overall goal of this research is to systematically develop and implement LES capability into the current NCC. For this purpose, issues regarding initialization and running LES are also addressed in the collaborative effort. In parallel to this technology transfer effort (that is continuously on going), research has also been underway at Georgia Tech to enhance the LES capability to tackle more complex flows. In particular, subgrid scalar mixing and combustion method has been evaluated in three distinctly different flow field in order to demonstrate its generality: (a) Flame-Turbulence Interactions using premixed combustion, (b) Spatially evolving supersonic mixing layers, and (c) Temporal single and two-phase mixing layers. The configurations chosen are such that they can be implemented in NCCLES and used to evaluate the ability of the new code. Future development and validation will be in spray combustion in gas turbine engine and supersonic scalar mixing.
Modeling anomalous radial transport in kinetic transport codes
NASA Astrophysics Data System (ADS)
Bodi, K.; Krasheninnikov, S. I.; Cohen, R. H.; Rognlien, T. D.
2009-11-01
Anomalous transport is typically the dominant component of the radial transport in magnetically confined plasmas, where the physical origin of this transport is believed to be plasma turbulence. A model is presented for anomalous transport that can be used in continuum kinetic edge codes like TEMPEST, NEO and the next-generation code being developed by the Edge Simulation Laboratory. The model can also be adapted to particle-based codes. It is demonstrated that the model with a velocity-dependent diffusion and convection terms can match a diagonal gradient-driven transport matrix as found in contemporary fluid codes, but can also include off-diagonal effects. The anomalous transport model is also combined with particle drifts and a particle/energy-conserving Krook collision operator to study possible synergistic effects with neoclassical transport. For the latter study, a velocity-independent anomalous diffusion coefficient is used to mimic the effect of long-wavelength ExB turbulence.
Voinov, Alexander V.; Grimes, Steven M.; Brune, Carl R.; Burger, Alexander; Gorgen, Andreas; Guttormsen, Magne; Larsen, Ann -Cecilie; Massey, Thomas N.; Siem, Sunniva
2013-11-08
Proton double-differential cross sections from ^{59}Co(α,p)^{62}Ni, ^{57}Fe(α,p)^{60}Co, ^{56}Fe(^{7}Li,p)^{62}Ni, and ^{55}Mn(^{6}Li,p)^{60}Co reactions have been measured with 21-MeV α and 15-MeV lithium beams. Cross sections have been compared against calculations with the empire reaction code. Different input level density models have been tested. It was found that the Gilbert and Cameron [A. Gilbert and A. G. W. Cameron, Can. J. Phys. 43, 1446 (1965)] level density model is best to reproduce experimental data. Level densities and spin cutoff parameters for ^{62}Ni and ^{60}Co above the excitation energy range of discrete levels (in continuum) have been obtained with a Monte Carlo technique. Furthermore, excitation energy dependencies were found to be inconsistent with the Fermi-gas model.
Feasibility study of nuclear transmutation by negative muon capture reaction using the PHITS code
NASA Astrophysics Data System (ADS)
Abe, Shin-ichiro; Sato, Tatsuhiko
2016-06-01
Feasibility of nuclear transmutation of fission products in high-level radioactive waste by negative muon capture reaction is investigated using the Particle and Heave Ion Transport code System (PHITS). It is found that about 80 % of stopped negative muons contribute to transmute target nuclide into stable or short-lived nuclide in the case of 135Cs, which is one of the most important nuclide in the transmutation. The simulation result also indicates that the position of transmutation is controllable by changing the energy of incident negative muon. Based on our simulation, it takes approximately 8.5 × 108years to transmute 500 g of 135Cs by negative muon beam with the highest intensity currently available.
NASA Astrophysics Data System (ADS)
Hermanne, A.; Adam-Rebeles, R.; Tarkanyi, F.; Takacs, S.; Csikai, J.; Takacs, M. P.; Ignatyuk, A.
2013-09-01
Activation products of rare earth elements are gaining importance in medical and technical applications. In stacked foil irradiations, followed by high resolution gamma spectroscopy, the cross-sections for production of 161,165Er, 166gHo on 165Ho and 135,137m,137g,139Ce, 140La, 133m,133g,cumBa and 136Cs on natLa targets were measured up to 50 MeV. Reduced uncertainty is obtained by simultaneous remeasurement of the 27Al(d,x)24,22Na monitor reactions over the whole energy range. A comparison with experimental literature values and results from updated theoretical codes (ALICE-D, EMPIRE-D and the TENDL2012 online library) is discussed.
ADVANCED ELECTRIC AND MAGNETIC MATERIAL MODELS FOR FDTD ELECTROMAGNETIC CODES
Poole, B R; Nelson, S D; Langdon, S
2005-05-05
The modeling of dielectric and magnetic materials in the time domain is required for pulse power applications, pulsed induction accelerators, and advanced transmission lines. For example, most induction accelerator modules require the use of magnetic materials to provide adequate Volt-sec during the acceleration pulse. These models require hysteresis and saturation to simulate the saturation wavefront in a multipulse environment. In high voltage transmission line applications such as shock or soliton lines the dielectric is operating in a highly nonlinear regime, which require nonlinear models. Simple 1-D models are developed for fast parameterization of transmission line structures. In the case of nonlinear dielectrics, a simple analytic model describing the permittivity in terms of electric field is used in a 3-D finite difference time domain code (FDTD). In the case of magnetic materials, both rate independent and rate dependent Hodgdon magnetic material models have been implemented into 3-D FDTD codes and 1-D codes.
Quantization and psychoacoustic model in audio coding in advanced audio coding
NASA Astrophysics Data System (ADS)
Brzuchalski, Grzegorz
2011-10-01
This paper presents complete optimized architecture of Advanced Audio Coder quantization with Huffman coding. After that psychoacoustic model theory is presented and few algorithms described: standard Two Loop Search, its modifications, Genetic, Just Noticeable Level Difference, Trellis-Based and its modification: Cascaded Trellis-Based Algorithm.
No-Core Shell Model and Reactions
Navratil, Petr; Ormand, W. Erich; Caurier, Etienne; Bertulani, Carlos
2005-10-14
There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic two- and three-nucleon interactions the ab initio no-core shell model (NCSM) can predict low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. In this contribution, we present a brief overview of the NCSM with examples of recent applications as well as the first steps taken toward nuclear reaction applications. In particular, we discuss cross section calculations of p+6Li and 6He+p scattering as well as a calculation of the astrophysically important 7Be(p,{gamma})8B S-factor.
No-Core Shell Model and Reactions
Navratil, P; Ormand, W E; Caurier, E; Bertulani, C
2005-04-29
There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic two- and three-nucleon interactions the ab initio no-core shell model (NCSM) can predict low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. In this contribution, we present a brief overview of the NCSM with examples of recent applications as well as the first steps taken toward nuclear reaction applications. In particular, we discuss cross section calculations of p+{sup 6}Li and {sup 6}He+p scattering as well as a calculation of the astrophysically important {sup 7}Be(p, {gamma}){sup 8}B S-factor.
LMFBR models for the ORIGEN2 computer code
Croff, A.G.; McAdoo, J.W.; Bjerke, M.A.
1981-10-01
Reactor physics calculations have led to the development of nine liquid-metal fast breeder reactor (LMFBR) models for the ORIGEN2 computer code. Four of the models are based on the U-Pu fuel cycle, two are based on the Th-U-Pu fuel cycle, and three are based on the Th-/sup 238/U fuel cycle. The reactor models are based on cross sections taken directly from the reactor physics codes. Descriptions of the reactor models as well as values for the ORIGEN2 flux parameters THERM, RES, and FAST are given.
LMFBR models for the ORIGEN2 computer code
Croff, A.G.; McAdoo, J.W.; Bjerke, M.A.
1983-06-01
Reactor physics calculations have led to the development of nine liquid-metal fast breeder reactor (LMFBR) models for the ORIGEN2 computer code. Four of the models are based on the U-Pu fuel cycle, two are based on the Th-U-Pu fuel cycle, and three are based on the Th-/sup 233/U fuel cycle. The reactor models are based on cross sections taken directly from the reactor physics codes. Descriptions of the reactor models as well as values for the ORIGEN2 flux parameters THERM, RES, and FAST are given.
The improved code TAC maker for modeling of planet transits
NASA Astrophysics Data System (ADS)
Kjurkchieva, D.; Dimitrov, D.; Vladev, A.
We present improvements of the code TAC-maker for modeling of planet transits. While the initial version of the code calculated synthetic transits for certain values of the input parameters, the new version TAC-maker 1.1.0 gives a possibility to obtain simultaneously numerous synthetic transits corresponding to chosen ranges of values for each fitted parameter. The most valuable property of the improved version of the code is the ability to obtain the global minimum of χ^{2} in the multidimensional parametric space and to estimate the errors of the searched parameters.
Modeling Guidelines for Code Generation in the Railway Signaling Context
NASA Technical Reports Server (NTRS)
Ferrari, Alessio; Bacherini, Stefano; Fantechi, Alessandro; Zingoni, Niccolo
2009-01-01
Modeling guidelines constitute one of the fundamental cornerstones for Model Based Development. Their relevance is essential when dealing with code generation in the safety-critical domain. This article presents the experience of a railway signaling systems manufacturer on this issue. Introduction of Model-Based Development (MBD) and code generation in the industrial safety-critical sector created a crucial paradigm shift in the development process of dependable systems. While traditional software development focuses on the code, with MBD practices the focus shifts to model abstractions. The change has fundamental implications for safety-critical systems, which still need to guarantee a high degree of confidence also at code level. Usage of the Simulink/Stateflow platform for modeling, which is a de facto standard in control software development, does not ensure by itself production of high-quality dependable code. This issue has been addressed by companies through the definition of modeling rules imposing restrictions on the usage of design tools components, in order to enable production of qualified code. The MAAB Control Algorithm Modeling Guidelines (MathWorks Automotive Advisory Board)[3] is a well established set of publicly available rules for modeling with Simulink/Stateflow. This set of recommendations has been developed by a group of OEMs and suppliers of the automotive sector with the objective of enforcing and easing the usage of the MathWorks tools within the automotive industry. The guidelines have been published in 2001 and afterwords revisited in 2007 in order to integrate some additional rules developed by the Japanese division of MAAB [5]. The scope of the current edition of the guidelines ranges from model maintainability and readability to code generation issues. The rules are conceived as a reference baseline and therefore they need to be tailored to comply with the characteristics of each industrial context. Customization of these
First Principles Modeling of Bimolecular Reactions with Diffusion
NASA Astrophysics Data System (ADS)
Hansen, S. K.; Scher, H.; Berkowitz, B.
2013-12-01
We consider three approaches to modeling A + B → C irreversible reactions in natural media: 1) a discretized diffusion-reaction equation (DRE), 2) a particle tracking (PT) scheme in which reaction occurs if and only if an A and B particle pair are within a fixed distance, r (the "reaction radius"), and 3) a PT scheme using an alternative to the fixed reaction radius: a collocation probability distribution derived directly from first principles. Each approach has advantages. In some cases a discretized DRE may be the most computationally efficient method. For PT simulations, robust codes exist based on use of a fixed reaction radius. And finally, collocation probabilities may be derived directly from the Fick's Law constant, D, which is a well-established property for most species. In each approach, a single parameter governs the 'promiscuity' of the reaction (i.e. the thermodynamic favorability of reaction, predicated on the particles being locally well mixed). For the DRE, fixed-reaction-radius PT, and collocation-based PT, these parameters are, respectively: a second-order decay rate, r, and D. We established a number of new results enhancing these approaches and relating them to each other (and to nature). In particular, a thought experiment concerning a simple system in which the predictions of each approach can be computed analytically was used to derive formulas establishing a universal one-to-one correspondence among each of the governing parameters. We thus showed the conditions for equivalence of the three approaches, and grounded both the DRE approach and the fixed-radius PT approach in the Fick's Law D. We further showed that the existing collocation-based PT theory is based on a probability distribution that is only correct for infinitesimally small times, but which can be modified to be accurate for larger times by means of continuous time random walk analysis and first-passage probability distributions. Finally, we employed a novel mathematical
Simple models for reading neuronal population codes.
Seung, H S; Sompolinsky, H
1993-01-01
In many neural systems, sensory information is distributed throughout a population of neurons. We study simple neural network models for extracting this information. The inputs to the networks are the stochastic responses of a population of sensory neurons tuned to directional stimuli. The performance of each network model in psychophysical tasks is compared with that of the optimal maximum likelihood procedure. As a model of direction estimation in two dimensions, we consider a linear network that computes a population vector. Its performance depends on the width of the population tuning curves and is maximal for width, which increases with the level of background activity. Although for narrowly tuned neurons the performance of the population vector is significantly inferior to that of maximum likelihood estimation, the difference between the two is small when the tuning is broad. For direction discrimination, we consider two models: a perceptron with fully adaptive weights and a network made by adding an adaptive second layer to the population vector network. We calculate the error rates of these networks after exhaustive training to a particular direction. By testing on the full range of possible directions, the extent of transfer of training to novel stimuli can be calculated. It is found that for threshold linear networks the transfer of perceptual learning is nonmonotonic. Although performance deteriorates away from the training stimulus, it peaks again at an intermediate angle. This nonmonotonicity provides an important psychophysical test of these models. PMID:8248166
Not Available
1988-03-01
HYDROCOIN is an international study for examining ground-water flow modeling strategies and their influence on safety assessments of geologic repositories for nuclear waste. This report summarizes only the combined NRC project temas' simulation efforts on the computer code bench-marking problems. The codes used to simulate thesee seven problems were SWIFT II, FEMWATER, UNSAT2M USGS-3D, AND TOUGH. In general, linear problems involving scalars such as hydraulic head were accurately simulated by both finite-difference and finite-element solution algorithms. Both types of codes produced accurate results even for complex geometrics such as intersecting fractures. Difficulties were encountered in solving problems that invovled nonlinear effects such as density-driven flow and unsaturated flow. In order to fully evaluate the accuracy of these codes, post-processing of results using paricle tracking algorithms and calculating fluxes were examined. This proved very valuable by uncovering disagreements among code results even through the hydraulic-head solutions had been in agreement. 9 refs., 111 figs., 6 tabs.
Thermodynamic performance for a chemical reactions model
NASA Astrophysics Data System (ADS)
Gonzalez-Narvaez, R. E.; Sánchez-Salas, N.; Chimal-Eguía, J. C.
2015-01-01
This paper presents the analysis efficiency of a chemical reaction model of four states, such that their activated states can occur at any point (fixed but arbitrary) of the transition from one state to another. This mechanism operates under a single heat reservoir temperature, unlike the internal combustion engines where there are two thermal sources. Different efficiencies are compared to this model, which operate at different optimum engine regimes. Thus, some analytical methods are used to give an approximate expression, facilitating the comparison between them. Finally, the result is compared with that obtained by other authors considered a general model of an isothermal molecular machine. Taking into account the above, the results seems to follow a similar behaviour for all the optimized engines, which resemble that observed in the case of heat engine efficiencies.
Photochemical reactions of various model protocell systems
NASA Technical Reports Server (NTRS)
Folsome, C. E.
1986-01-01
Models for the emergence of cellular life on the primitive Earth, and for physical environments of that era have been studied that embody these assumptions: (1) pregenetic cellular forms were phase-bounded systems primarily photosynthetic in nature, and (2) the early Earth environment was anoxic (lacking appreciable amounts of free hydrogen). It was found that organic structures can also be formed under anoxic conditions (N2, CO3=, H2O) by protracted longwavelength UV radiation. Apparently these structures form initially as organic layers upon CaCO3 crystalloids. The question remains as to whether the UV photosynthetic ability of such phase bounded structures is a curiosity, or a general property of phase bounded systems which is of direct interest to the emergence of cellular life. The question of the requirement and sailient features of a phase boundary for UV photosynthetic abilities was addressed by searching for similar general physical properties which might be manifest in a variety of other simple protocell-like structures. Since it has been shown that laboratory protocell models can effect the UV photosynthesis of low molecular weight compounds, this reaction is being used as an assay to survey other types of structures for similar UV photosynthetic reactions. Various kinds of structures surveyed are: (1) proteinoids; (2) liposomes; (3) reconstituted cell membrane spheroids; (4) coacervates; and (5) model protocells formed under anoxic conditions.
SRVAL. Stock-Recruitment Model VALidation Code
Christensen, S.W.
1989-12-07
SRVAL is a computer simulation model of the Hudson River striped bass population. It was designed to aid in assessing the validity of curve-fits of the linearized Ricker stock-recruitment model, modified to incorporate multiple-age spawners and to include an environmental variable, to variously processed annual catch-per-unit-effort (CPUE) statistics for a fish population. It is sometimes asserted that curve-fits of this kind can be used to determine the sensitivity of fish populations to such man-induced stresses as entrainment and impingement at power plants. SRVAL was developed to test such assertions and was utilized in testimony written in connection with the Hudson River Power Case (U. S. Environmental Protection Agency, Region II).
Code System to Model Aqueous Geochemical Equilibria.
Energy Science and Technology Software Center (ESTSC)
2001-08-23
Version: 00 MINTEQ is a geochemical program to model aqueous solutions and the interactions of aqueous solutions with hypothesized assemblages of solid phases. It was developed for the Environmental Protection Agency to perform the calculations necessary to simulate the contact of waste solutions with heterogeneous sediments or the interaction of ground water with solidified wastes. MINTEQ can calculate ion speciation/solubility, adsorption, oxidation-reduction, gas phase equilibria, and precipitation/dissolution ofsolid phases. MINTEQ can accept a finite massmore » for any solid considered for dissolution and will dissolve the specified solid phase only until its initial mass is exhausted. This ability enables MINTEQ to model flow-through systems. In these systems the masses of solid phases that precipitate at earlier pore volumes can be dissolved at later pore volumes according to thermodynamic constraints imposed by the solution composition and solid phases present. The ability to model these systems permits evaluation of the geochemistry of dissolved traced metals, such as low-level waste in shallow land burial sites. MINTEQ was designed to solve geochemical equilibria for systems composed of one kilogram of water, various amounts of material dissolved in solution, and any solid materials that are present. Systems modeled using MINTEQ can exchange energy and material (open systems) or just energy (closed systems) with the surrounding environment. Each system is composed of a number of phases. Every phase is a region with distinct composition and physically definable boundaries. All of the material in the aqueous solution forms one phase. The gas phase is composed of any gaseous material present, and each compositionally and structurally distinct solid forms a separate phase.« less
Code-to-Code Comparison, and Material Response Modeling of Stardust and MSL using PATO and FIAT
NASA Technical Reports Server (NTRS)
Omidy, Ali D.; Panerai, Francesco; Martin, Alexandre; Lachaud, Jean R.; Cozmuta, Ioana; Mansour, Nagi N.
2015-01-01
This report provides a code-to-code comparison between PATO, a recently developed high fidelity material response code, and FIAT, NASA's legacy code for ablation response modeling. The goal is to demonstrates that FIAT and PATO generate the same results when using the same models. Test cases of increasing complexity are used, from both arc-jet testing and flight experiment. When using the exact same physical models, material properties and boundary conditions, the two codes give results that are within 2% of errors. The minor discrepancy is attributed to the inclusion of the gas phase heat capacity (cp) in the energy equation in PATO, and not in FIAT.
MATHEMATICAL MODEL OF ELECTROSTATIC PRECIPITATION (REVISION 3): SOURCE CODE
This tape contains the source code (FORTRAN) for Revision 3 of the Mathematical Model of Electrostatic Precipitation. Improvements found in Revision 3 of the model include a new method of calculating the solutions to the electric field equations, a dynamic method for calculating ...
Modeling stochasticity in biochemical reaction networks
NASA Astrophysics Data System (ADS)
Constantino, P. H.; Vlysidis, M.; Smadbeck, P.; Kaznessis, Y. N.
2016-03-01
Small biomolecular systems are inherently stochastic. Indeed, fluctuations of molecular species are substantial in living organisms and may result in significant variation in cellular phenotypes. The chemical master equation (CME) is the most detailed mathematical model that can describe stochastic behaviors. However, because of its complexity the CME has been solved for only few, very small reaction networks. As a result, the contribution of CME-based approaches to biology has been very limited. In this review we discuss the approach of solving CME by a set of differential equations of probability moments, called moment equations. We present different approaches to produce and to solve these equations, emphasizing the use of factorial moments and the zero information entropy closure scheme. We also provide information on the stability analysis of stochastic systems. Finally, we speculate on the utility of CME-based modeling formalisms, especially in the context of synthetic biology efforts.
Model-building codes for membrane proteins.
Shirley, David Noyes; Hunt, Thomas W.; Brown, W. Michael; Schoeniger, Joseph S.; Slepoy, Alexander; Sale, Kenneth L.; Young, Malin M.; Faulon, Jean-Loup Michel; Gray, Genetha Anne
2005-01-01
We have developed a novel approach to modeling the transmembrane spanning helical bundles of integral membrane proteins using only a sparse set of distance constraints, such as those derived from MS3-D, dipolar-EPR and FRET experiments. Algorithms have been written for searching the conformational space of membrane protein folds matching the set of distance constraints, which provides initial structures for local conformational searches. Local conformation search is achieved by optimizing these candidates against a custom penalty function that incorporates both measures derived from statistical analysis of solved membrane protein structures and distance constraints obtained from experiments. This results in refined helical bundles to which the interhelical loops and amino acid side-chains are added. Using a set of only 27 distance constraints extracted from the literature, our methods successfully recover the structure of dark-adapted rhodopsin to within 3.2 {angstrom} of the crystal structure.
Clustering recognition model for intermediate energy heavy ion reactions
Garcia-Solis, E.J.; Mignerey, A.C.
1996-07-01
A clustering model which allows the recognition of mass fragments from dynamical simulations has been developed. Studying the evolution of a microscopic computation based on the nuclear Boltzman equation, a suitable time is chosen to define bound clusters. At this stopping time the cluster cores for each member of the distribution are defined as a function of the overall density. Then an iterative routine is applied to estimate the coalescence of the surrounding nucleons. Once the fragment formation has been established, a statistical decay code is used to generate the final fragment distributions. Applications are shown to the reactions {sup 129}Xe + {sup nat}Cu at 50 MeV/nucleon and {sup 139}La on {sup 27}Al and {sup nat}Cu at 45 MeV/nucleon. A general improvement in cluster identification is found over approaches where a standard cluster separation algorithm has been used. {copyright} {ital 1996 The American Physical Society.}
Model-Driven Engineering of Machine Executable Code
NASA Astrophysics Data System (ADS)
Eichberg, Michael; Monperrus, Martin; Kloppenburg, Sven; Mezini, Mira
Implementing static analyses of machine-level executable code is labor intensive and complex. We show how to leverage model-driven engineering to facilitate the design and implementation of programs doing static analyses. Further, we report on important lessons learned on the benefits and drawbacks while using the following technologies: using the Scala programming language as target of code generation, using XML-Schema to express a metamodel, and using XSLT to implement (a) transformations and (b) a lint like tool. Finally, we report on the use of Prolog for writing model transformations.
Data model description for the DESCARTES and CIDER codes
Miley, T.B.; Ouderkirk, S.J.; Nichols, W.E.; Eslinger, P.W.
1993-01-01
The primary objective of the Hanford Environmental Dose Reconstruction (HEDR) Project is to estimate the radiation dose that individuals could have received as a result of emissions since 1944 from the US Department of Energy's (DOE) Hanford Site near Richland, Washington. One of the major objectives of the HEDR Project is to develop several computer codes to model the airborne releases. transport and envirorunental accumulation of radionuclides resulting from Hanford operations from 1944 through 1972. In July 1992, the HEDR Project Manager determined that the computer codes being developed (DESCARTES, calculation of environmental accumulation from airborne releases, and CIDER, dose calculations from environmental accumulation) were not sufficient to create accurate models. A team of HEDR staff members developed a plan to assure that computer codes would meet HEDR Project goals. The plan consists of five tasks: (1) code requirements definition. (2) scoping studies, (3) design specifications, (4) benchmarking, and (5) data modeling. This report defines the data requirements for the DESCARTES and CIDER codes.
Geochemical controls on shale groundwaters: Results of reaction path modeling
Von Damm, K.L.; VandenBrook, A.J.
1989-03-01
The EQ3NR/EQ6 geochemical modeling code was used to simulate the reaction of several shale mineralogies with different groundwater compositions in order to elucidate changes that may occur in both the groundwater compositions, and rock mineralogies and compositions under conditions which may be encountered in a high-level radioactive waste repository. Shales with primarily illitic or smectitic compositions were the focus of this study. The reactions were run at the ambient temperatures of the groundwaters and to temperatures as high as 250/degree/C, the approximate temperature maximum expected in a repository. All modeling assumed that equilibrium was achieved and treated the rock and water assemblage as a closed system. Graphite was used as a proxy mineral for organic matter in the shales. The results show that the presence of even a very small amount of reducing mineral has a large influence on the redox state of the groundwaters, and that either pyrite or graphite provides essentially the same results, with slight differences in dissolved C, Fe and S concentrations. The thermodynamic data base is inadequate at the present time to fully evaluate the speciation of dissolved carbon, due to the paucity of thermodynamic data for organic compounds. In the illitic cases the groundwaters resulting from interaction at elevated temperatures are acid, while the smectitic cases remain alkaline, although the final equilibrium mineral assemblages are quite similar. 10 refs., 8 figs., 15 tabs.
Radiation transport phenomena and modeling - part A: Codes
Lorence, L.J.
1997-06-01
The need to understand how particle radiation (high-energy photons and electrons) from a variety of sources affects materials and electronics has motivated the development of sophisticated computer codes that describe how radiation with energies from 1.0 keV to 100.0 GeV propagates through matter. Predicting radiation transport is the necessary first step in predicting radiation effects. The radiation transport codes that are described here are general-purpose codes capable of analyzing a variety of radiation environments including those produced by nuclear weapons (x-rays, gamma rays, and neutrons), by sources in space (electrons and ions) and by accelerators (x-rays, gamma rays, and electrons). Applications of these codes include the study of radiation effects on electronics, nuclear medicine (imaging and cancer treatment), and industrial processes (food disinfestation, waste sterilization, manufacturing.) The primary focus will be on coupled electron-photon transport codes, with some brief discussion of proton transport. These codes model a radiation cascade in which electrons produce photons and vice versa. This coupling between particles of different types is important for radiation effects. For instance, in an x-ray environment, electrons are produced that drive the response in electronics. In an electron environment, dose due to bremsstrahlung photons can be significant once the source electrons have been stopped.
Cost effectiveness of the 1995 model energy code in Massachusetts
Lucas, R.G.
1996-02-01
This report documents an analysis of the cost effectiveness of the Council of American Building Officials` 1995 Model Energy Code (MEC) building thermal-envelope requirements for single-family houses and multifamily housing units in Massachusetts. The goal was to compare the cost effectiveness of the 1995 MEC to the energy conservation requirements of the Massachusetts State Building Code-based on a comparison of the costs and benefits associated with complying with each.. This comparison was performed for three cities representing three geographical regions of Massachusetts--Boston, Worcester, and Pittsfield. The analysis was done for two different scenarios: a ``move-up`` home buyer purchasing a single-family house and a ``first-time`` financially limited home buyer purchasing a multifamily condominium unit. Natural gas, oil, and electric resistance heating were examined. The Massachusetts state code has much more stringent requirements if electric resistance heating is used rather than other heating fuels and/or equipment types. The MEC requirements do not vary by fuel type. For single-family homes, the 1995 MEC has requirements that are more energy-efficient than the non-electric resistance requirements of the current state code. For multifamily housing, the 1995 MEC has requirements that are approximately equally energy-efficient to the non-electric resistance requirements of the current state code. The 1995 MEC is generally not more stringent than the electric resistance requirements of the state code, in fact; for multifamily buildings the 1995 MEC is much less stringent.
NASA Technical Reports Server (NTRS)
Radhakrishnan, Krishnan; Bittker, David A.
1994-01-01
LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part II of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part II describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part I (NASA RP-1328) derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved by LSENS. Part III (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.
Software Model Checking of ARINC-653 Flight Code with MCP
NASA Technical Reports Server (NTRS)
Thompson, Sarah J.; Brat, Guillaume; Venet, Arnaud
2010-01-01
The ARINC-653 standard defines a common interface for Integrated Modular Avionics (IMA) code. In particular, ARINC-653 Part 1 specifies a process- and partition-management API that is analogous to POSIX threads, but with certain extensions and restrictions intended to support the implementation of high reliability flight code. MCP is a software model checker, developed at NASA Ames, that provides capabilities for model checking C and C++ source code. In this paper, we present recent work aimed at implementing extensions to MCP that support ARINC-653, and we discuss the challenges and opportunities that consequentially arise. Providing support for ARINC-653 s time and space partitioning is nontrivial, though there are implicit benefits for partial order reduction possible as a consequence of the API s strict interprocess communication policy.
Differences between the 1992 and 1993 CABO Model Energy Codes
Conover, D.R.; Lucas, R.G.
1995-01-01
This report is one in a series of documents describing research activities in support of the US Department of Energy (DOE) Building Energy Standards Program. The Pacific Northwest Laboratory (PNL) leads the program for DOE. The goal of the Program is to develop and encourage the implementation Of Performance standards to achieve the maximum practicable energy efficiency in the design of new buildings. The program approach to meeting the goal is to initiate and manage individual research and standards and guidelines development efforts that are planned and conducted in cooperation with representatives from throughout the buildings community. Projects under way involve practicing architects and engineers, Professional societies and code organizations, industry representatives, and researchers from the private sector and national laboratories. Research results and technical justifications for standards criteria are provided to standards development and model code organizations and to Federal, State, and local jurisdictions as a basis to update their codes and standards. This effort helps to ensure that building standards incorporate the latest research results to achieve maximum energy savings in new buildings, Yet remain responsive to the needs of the affected professions, organizations, and jurisdictions. Our efforts also support the implementation, deployment, and use of energy-efficient codes and standards. This report identifies the differences between the 1992 and 1993 editions of the Council of American Building Officials, (CABO) Model Energy Code (MEC) and briefly highlights the technical and administrative impacts of these changes.
Model Experiment of Thermal Runaway Reactions Using the Aluminum-Hydrochloric Acid Reaction
ERIC Educational Resources Information Center
Kitabayashi, Suguru; Nakano, Masayoshi; Nishikawa, Kazuyuki; Koga, Nobuyoshi
2016-01-01
A laboratory exercise for the education of students about thermal runaway reactions based on the reaction between aluminum and hydrochloric acid as a model reaction is proposed. In the introductory part of the exercise, the induction period and subsequent thermal runaway behavior are evaluated via a simple observation of hydrogen gas evolution and…
Testing geochemical modeling codes using New Zealand hydrothermal systems
Bruton, C.J.; Glassley, W.E.; Bourcier, W.L.
1993-12-01
Hydrothermal systems in the Taupo Volcanic Zone, North Island, New Zealand are being used as field-based modeling exercises for the EQ3/6 geochemical modeling code package. Comparisons of the observed state and evolution of selected portions of the hydrothermal systems with predictions of fluid-solid equilibria made using geochemical modeling codes will: (1) ensure that we are providing adequately for all significant processes occurring in natural systems; (2) determine the adequacy of the mathematical descriptions of the processes; (3) check the adequacy and completeness of thermodynamic data as a function of temperature for solids, aqueous species and gases; and (4) determine the sensitivity of model results to the manner in which the problem is conceptualized by the user and then translated into constraints in the code input. Preliminary predictions of mineral assemblages in equilibrium with fluids sampled from wells in the Wairakei geothermal field suggest that affinity-temperature diagrams must be used in conjunction with EQ6 to minimize the effect of uncertainties in thermodynamic and kinetic data on code predictions. The kinetics of silica precipitation in EQ6 will be tested using field data from silica-lined drain channels carrying hot water away from the Wairakei borefield.
Steefel, C.I.
2000-02-02
At least two distinct kinds of hydrogeochemical models have evolved historically for use in analyzing contaminant transport, but each has important limitations. One kind, focusing on organic contaminants, treats biodegradation reactions as parts of relatively simple kinetic reaction networks with no or limited coupling to aqueous and surface complexation and mineral dissolution/precipitation reactions. A second kind, evolving out of the speciation and reaction path codes, is capable of handling a comprehensive suite of multicomponent complexation (aqueous and surface) and mineral precipitation and dissolution reactions, but has not been able to treat reaction networks characterized by partial redox disequilibrium and multiple kinetic pathways. More recently, various investigators have begun to consider biodegradation reactions in the context of comprehensive equilibrium and kinetic reaction networks (e.g. Hunter et al. 1998, Mayer 1999). Here we explore two examples of multiple equilibrium and kinetic reaction pathways using the reactive transport code GIMRT98 (Steefel, in prep.): (1) a computational example involving the generation of acid mine drainage due to oxidation of pyrite, and (2) a computational/field example where the rates of chlorinated VOC degradation are linked to the rates of major redox processes occurring in organic-rich wetland sediments overlying a contaminated aerobic aquifer.
Development of a fan model for the CONTAIN code
Pevey, R.E.
1987-01-08
A fan model has been added to the CONTAIN code with a minimum of disruption of the standard CONTAIN calculation sequence. The user is required to supply a simple pressure vs. flow rate curve for each fan in his model configuration. Inclusion of the fan model required modification to two CONTAIN subroutines, IFLOW and EXEQNX. The two modified routines and the resulting executable module are located on the LANL mass storage system as /560007/iflow, /560007/exeqnx, and /560007/cont01, respectively. The model has been initially validated using a very simple sample problem and is ready for a more complete workout using the SRP reactor models from the RSRD probabilistic risk analysis.
Model for reaction kinetics in pyrolysis of wood
Ahuja, P.; Singh, P.C.; Upadhyay, S.N.; Kumar, S.
1996-12-31
A reaction model for the pyrolysis of small and large particles of wood Is developed. The chemical reactions that take place when biomass is pyrolyzed are the devolatilization reactions (primary) and due to the vapour-solid interactions (secondary). In the case of small particles, when the volatiles are immediately removed by the purge gas, only primary reactions occur and the reaction model is described by weight loss and char forming reactions. The of heterogeneous secondary reactions occur in the case of large particles due to the interaction between the volatiles and the hot nascent primary char. A chain reaction mechanism of secondary char formation is proposed. The model takes both the volatiles retention time and cracking and repolymerization reactions of the vapours with the decomposing solid as well as autocatalysis into consideration. 7 refs., 3 figs., 2 tabs.
Self-shielding models of MICROX-2 code
Hou, J.; Ivanov, K.; Choi, H.
2013-07-01
The MICROX-2 is a transport theory code that solves for the neutron slowing-down and thermalization equations of a two-region lattice cell. In the previous study, a new fine-group cross section library of the MICROX-2 was generated and tested against reference calculations and measurement data. In this study, existing physics models of the MICROX-2 are reviewed and updated to improve the physics calculation performance of the MICROX-2 code, including the resonance self-shielding model and spatial self-shielding factor. The updated self-shielding models have been verified through a series of benchmark calculations against the Monte Carlo code, using homogeneous and pin cell models selected for this study. The results have shown that the updates of the self-shielding factor calculation model are correct and improve the physics calculation accuracy even though the magnitude of error reduction is relatively small. Compared to the existing models, the updates reduced the prediction error of the infinite multiplication factor by approximately 0.1 % and 0.2% for the homogeneous and pin cell models, respectively, considered in this study. (authors)
Modeling of Anomalous Transport in Tokamaks with FACETS code
NASA Astrophysics Data System (ADS)
Pankin, A. Y.; Batemann, G.; Kritz, A.; Rafiq, T.; Vadlamani, S.; Hakim, A.; Kruger, S.; Miah, M.; Rognlien, T.
2009-05-01
The FACETS code, a whole-device integrated modeling code that self-consistently computes plasma profiles for the plasma core and edge in tokamaks, has been recently developed as a part of the SciDAC project for core-edge simulations. A choice of transport models is available in FACETS through the FMCFM interface [1]. Transport models included in FMCFM have specific ranges of applicability, which can limit their use to parts of the plasma. In particular, the GLF23 transport model does not include the resistive ballooning effects that can be important in the tokamak pedestal region and GLF23 typically under-predicts the anomalous fluxes near the magnetic axis [2]. The TGLF and GYRO transport models have similar limitations [3]. A combination of transport models that covers the entire discharge domain is studied using FACETS in a realistic tokamak geometry. Effective diffusivities computed with the FMCFM transport models are extended to the region near the separatrix to be used in the UEDGE code within FACETS. 1. S. Vadlamani et al. (2009) %First time-dependent transport simulations using GYRO and NCLASS within FACETS (this meeting).2. T. Rafiq et al. (2009) %Simulation of electron thermal transport in H-mode discharges Submitted to Phys. Plasmas.3. C. Holland et al. (2008) %Validation of gyrokinetic transport simulations using %DIII-D core turbulence measurements Proc. of IAEA FEC (Switzerland, 2008)
Modeling of the EAST ICRF antenna with ICANT Code
Qin Chengming; Zhao Yanping; Colas, L.; Heuraux, S.
2007-09-28
A Resonant Double Loop (RDL) antenna for ion-cyclotron range of frequencies (ICRF) on Experimental Advanced Superconducting Tokamak (EAST) is under construction. The new antenna is analyzed using the antenna coupling code ICANT which self-consistently determines the surface currents on all antenna parts. In this work, the modeling of the new ICRF antenna using this code is to assess the near-fields in front of the antenna and analysis its coupling capabilities. Moreover, the antenna reactive radiated power computed by ICANT and shows a good agreement with deduced from Transmission Line (TL) theory.
Modeling of the EAST ICRF antenna with ICANT Code
NASA Astrophysics Data System (ADS)
Qin, Chengming; Zhao, Yanping; Colas, L.; Heuraux, S.
2007-09-01
A Resonant Double Loop (RDL) antenna for ion-cyclotron range of frequencies (ICRF) on Experimental Advanced Superconducting Tokamak (EAST) is under construction. The new antenna is analyzed using the antenna coupling code ICANT which self-consistently determines the surface currents on all antenna parts. In this work, the modeling of the new ICRF antenna using this code is to assess the near-fields in front of the antenna and analysis its coupling capabilities. Moreover, the antenna reactive radiated power computed by ICANT and shows a good agreement with deduced from Transmission Line (TL) theory.
Wang, Xu; Ding, Jie; Guo, Wan-Qian; Ren, Nan-Qi
2010-12-01
Investigating how a bioreactor functions is a necessary precursor for successful reactor design and operation. Traditional methods used to investigate flow-field cannot meet this challenge accurately and economically. Hydrodynamics model can solve this problem, but to understand a bioreactor in sufficient depth, it is often insufficient. In this paper, a coupled hydrodynamics-reaction kinetics model was formulated from computational fluid dynamics (CFD) code to simulate a gas-liquid-solid three-phase biotreatment system for the first time. The hydrodynamics model is used to formulate prediction of the flow field and the reaction kinetics model then portrays the reaction conversion process. The coupled model is verified and used to simulate the behavior of an expanded granular sludge bed (EGSB) reactor for biohydrogen production. The flow patterns were visualized and analyzed. The coupled model also demonstrates a qualitative relationship between hydrodynamics and biohydrogen production. The advantages and limitations of applying this coupled model are discussed. PMID:20727741
A compressible Navier-Stokes code for turbulent flow modeling
NASA Technical Reports Server (NTRS)
Coakley, T. J.
1984-01-01
An implicit, finite volume code for solving two dimensional, compressible turbulent flows is described. Second order upwind differencing of the inviscid terms of the equations is used to enhance stability and accuracy. A diagonal form of the implicit algorithm is used to improve efficiency. Several zero and two equation turbulence models are incorporated to study their impact on overall flow modeling accuracy. Applications to external and internal flows are discussed.
Thermohydraulic modeling of nuclear thermal rockets: The KLAXON code
Hall, M.L.; Rider, W.J.; Cappiello, M.W.
1992-07-01
The hydrogen flow from the storage tanks, through the reactor core, and out the nozzle of a Nuclear Thermal Rocket is an integral design consideration. To provide an analysis and design tool for this phenomenon, the KLAXON code is being developed. A shock-capturing numerical methodology is used to model the gas flow (the Harten, Lax, and van Leer method, as implemented by Einfeldt). Preliminary results of modeling the flow through the reactor core and nozzle are given in this paper.
Nichols, A.L. III.
1990-06-07
This is a report describing the modifications which have been made to the heat flow code TOPAZ to allow the inclusion of thermally controlled chemical kinetics. This report is broken into parts. The first part is an introduction to the general assumptions and theoretical underpinning that were used to develop the model. The second section describes the changes that have been implemented into the code. The third section is the users manual for the input for the code. The fourth section is a compilation of hints, common errors, and things to be aware of while you are getting started. The fifth section gives a sample problem using the new code. This manual addenda is written with the presumption that most readers are not fluent with chemical concepts. Therefore, we shall in this section endeavor to describe the requirements that must be met before chemistry can occur and how we have modeled the chemistry in the code.
A semianalytic Monte Carlo code for modelling LIDAR measurements
NASA Astrophysics Data System (ADS)
Palazzi, Elisa; Kostadinov, Ivan; Petritoli, Andrea; Ravegnani, Fabrizio; Bortoli, Daniele; Masieri, Samuele; Premuda, Margherita; Giovanelli, Giorgio
2007-10-01
LIDAR (LIght Detection and Ranging) is an optical active remote sensing technology with many applications in atmospheric physics. Modelling of LIDAR measurements appears useful approach for evaluating the effects of various environmental variables and scenarios as well as of different measurement geometries and instrumental characteristics. In this regard a Monte Carlo simulation model can provide a reliable answer to these important requirements. A semianalytic Monte Carlo code for modelling LIDAR measurements has been developed at ISAC-CNR. The backscattered laser signal detected by the LIDAR system is calculated in the code taking into account the contributions due to the main atmospheric molecular constituents and aerosol particles through processes of single and multiple scattering. The contributions by molecular absorption, ground and clouds reflection are evaluated too. The code can perform simulations of both monostatic and bistatic LIDAR systems. To enhance the efficiency of the Monte Carlo simulation, analytical estimates and expected value calculations are performed. Artificial devices (such as forced collision, local forced collision, splitting and russian roulette) are moreover foreseen by the code, which can enable the user to drastically reduce the variance of the calculation.
NASA Astrophysics Data System (ADS)
Nakayama, Shinsuke; Kouno, Hiroshi; Watanabe, Yukinobu; Iwamoto, Osamu; Ye, Tao; Ogata, Kazuyuki
2016-06-01
We have so far developed a computational code system dedicated to deuteron-induced reactions in combination with some theoretical models. In our previous works, the code system was successfully applied to systematic analyses of double-differential cross sections (DDXs) of (d,xp) reactions for 12C, 27Al, and 58Ni at incident energies up to 100 MeV. In the present work, we apply the code system to neutron emission from deuteron-induced reactions. Since there is few experimental data of DDXs of (d,xn) reactions, double-differential thick target neutron yields (TTNYs) are calculated and compared with experimental data instead of DDXs. The calculation using the code system reproduces the measured TTNYs for carbon at incident energies up to 50 MeV.
A C-code for the double folding interaction potential for reactions involving deformed target nuclei
NASA Astrophysics Data System (ADS)
Gontchar, I. I.; Chushnyakova, M. V.
2013-01-01
We present a C-code designed to obtain the interaction potential between a spherical projectile nucleus and an axial-symmetrical deformed target nucleus and in particular to find the Coulomb barrier, by using the double folding model (DFM). The program calculates the nucleus-nucleus potential as a function of the distance between the centers of mass of colliding nuclei as well as of the angle between the axis of symmetry of the target nucleus and the beam direction. The most important output parameters are the Coulomb barrier energy and the radius. Since many researchers use a Woods-Saxon profile for the nuclear term of the potential we provide an option in our code for fitting the DFM potential by such a profile near the barrier. Program summaryProgram title: DFMDEF Catalogue identifier: AENI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENI_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2245 No. of bytes in distributed program, including test data, etc.: 215442 Distribution format: tar.gz Programming language: C. Computer: PC, Mac. Operating system: Windows XP (with the GCC-compiler version 2), MacOS, Linux. RAM: 100 MB with average parameters set Classification: 17.9. Nature of problem: The code calculates in a semimicroscopic way the bare interaction potential between a spherical projectile nucleus and a deformed but axially symmetric target nucleus as a function of the center of mass distance as well as of the angle between the axis of symmetry of the target nucleus and the beam direction. The height and the position of the Coulomb barrier are found. The calculated potential is approximated by a conventional Woods-Saxon profile near the barrier. Dependence of the barrier parameters upon the characteristics of the effective NN forces (like, e
Enhancements to the SSME transfer function modeling code
NASA Technical Reports Server (NTRS)
Irwin, R. Dennis; Mitchell, Jerrel R.; Bartholomew, David L.; Glenn, Russell D.
1995-01-01
This report details the results of a one year effort by Ohio University to apply the transfer function modeling and analysis tools developed under NASA Grant NAG8-167 (Irwin, 1992), (Bartholomew, 1992) to attempt the generation of Space Shuttle Main Engine High Pressure Turbopump transfer functions from time domain data. In addition, new enhancements to the transfer function modeling codes which enhance the code functionality are presented, along with some ideas for improved modeling methods and future work. Section 2 contains a review of the analytical background used to generate transfer functions with the SSME transfer function modeling software. Section 2.1 presents the 'ratio method' developed for obtaining models of systems that are subject to single unmeasured excitation sources and have two or more measured output signals. Since most of the models developed during the investigation use the Eigensystem Realization Algorithm (ERA) for model generation, Section 2.2 presents an introduction of ERA, and Section 2.3 describes how it can be used to model spectral quantities. Section 2.4 details the Residue Identification Algorithm (RID) including the use of Constrained Least Squares (CLS) and Total Least Squares (TLS). Most of this information can be found in the report (and is repeated for convenience). Section 3 chronicles the effort of applying the SSME transfer function modeling codes to the a51p394.dat and a51p1294.dat time data files to generate transfer functions from the unmeasured input to the 129.4 degree sensor output. Included are transfer function modeling attempts using five methods. The first method is a direct application of the SSME codes to the data files and the second method uses the underlying trends in the spectral density estimates to form transfer function models with less clustering of poles and zeros than the models obtained by the direct method. In the third approach, the time data is low pass filtered prior to the modeling process in an
Using cryptology models for protecting PHP source code
NASA Astrophysics Data System (ADS)
Jevremović, Aleksandar; Ristić, Nenad; Veinović, Mladen
2013-10-01
Protecting PHP scripts from unwanted use, copying and modifications is a big issue today. Existing solutions on source code level are mostly working as obfuscators, they are free, and they are not providing any serious protection. Solutions that encode opcode are more secure, but they are commercial and require closed-source proprietary PHP interpreter's extension. Additionally, encoded opcode is not compatible with future versions of interpreters which imply re-buying encoders from the authors. Finally, if extension source-code is compromised, all scripts encoded with that solution are compromised too. In this paper, we will present a new model for free and open-source PHP script protection solution. Protection level provided by the proposed solution is equal to protection level of commercial solutions. Model is based on conclusions from use of standard cryptology models for analysis of strengths and weaknesses of the existing solutions, when a scripts protection is seen as secure communication channel in the cryptology.
Schultz, Peter Andrew
2011-12-01
The objective of the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC) is to provide an integrated suite of computational modeling and simulation (M&S) capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive-waste storage facility or disposal repository. Achieving the objective of modeling the performance of a disposal scenario requires describing processes involved in waste form degradation and radionuclide release at the subcontinuum scale, beginning with mechanistic descriptions of chemical reactions and chemical kinetics at the atomic scale, and upscaling into effective, validated constitutive models for input to high-fidelity continuum scale codes for coupled multiphysics simulations of release and transport. Verification and validation (V&V) is required throughout the system to establish evidence-based metrics for the level of confidence in M&S codes and capabilities, including at the subcontiunuum scale and the constitutive models they inform or generate. This Report outlines the nature of the V&V challenge at the subcontinuum scale, an approach to incorporate V&V concepts into subcontinuum scale modeling and simulation (M&S), and a plan to incrementally incorporate effective V&V into subcontinuum scale M&S destined for use in the NEAMS Waste IPSC work flow to meet requirements of quantitative confidence in the constitutive models informed by subcontinuum scale phenomena.
Statistical Model Code System to Calculate Particle Spectra from HMS Precompound Nucleus Decay.
Energy Science and Technology Software Center (ESTSC)
2014-11-01
Version 05 The HMS-ALICE/ALICE codes address the question: What happens when photons,nucleons or clusters/heavy ions of a few 100 kV to several 100 MeV interact with nuclei? The ALICE codes (as they have evolved over 50 years) use several nuclear reaction models to answer this question, predicting the energies and angles of particles emitted (n,p,2H,3H,3He,4He,6Li) in the reaction, and the residues, the spallation and fission products. Models used are principally Monte-Carlo formulations of the Hybrid/Geometrymore » Dependent Hybrid precompound, Weisskopf-Ewing evaporation, Bohr Wheeler fission, and recently a Fermi stastics break-up model( for light nuclei). Angular distribution calculation relies on the Chadwick-Oblozinsky linear momentum conservation model. Output gives residual product yields, and single and double differential cross sections for ejectiles in lab and CM frames. An option allows 1-3 particle out exclusive (ENDF format) for all combinations of n,p,alpha channels. Product yields include estimates of isomer yields where isomers exist. Earlier versions included the ability to compute coincident particle emission correlations, and much of this coding is still in place. Recoil product ddcs are computed, but not presently written to output files. Code execution begins with an on-screen interrogation for input, with defaults available for many aspects. A menu of model options is available within the input interrogation screen. The input is saved to hard drive. Subsequent runs may use this file, use the file with line editor changes, or begin again with the on-line interrogation.« less
Statistical Model Code System to Calculate Particle Spectra from HMS Precompound Nucleus Decay.
Blann, Marshall
2014-11-01
Version 05 The HMS-ALICE/ALICE codes address the question: What happens when photons,nucleons or clusters/heavy ions of a few 100 kV to several 100 MeV interact with nuclei? The ALICE codes (as they have evolved over 50 years) use several nuclear reaction models to answer this question, predicting the energies and angles of particles emitted (n,p,2H,3H,3He,4He,6Li) in the reaction, and the residues, the spallation and fission products. Models used are principally Monte-Carlo formulations of the Hybrid/Geometry Dependent Hybrid precompound, Weisskopf-Ewing evaporation, Bohr Wheeler fission, and recently a Fermi stastics break-up model( for light nuclei). Angular distribution calculation relies on the Chadwick-Oblozinsky linear momentum conservation model. Output gives residual product yields, and single and double differential cross sections for ejectiles in lab and CM frames. An option allows 1-3 particle out exclusive (ENDF format) for all combinations of n,p,alpha channels. Product yields include estimates of isomer yields where isomers exist. Earlier versions included the ability to compute coincident particle emission correlations, and much of this coding is still in place. Recoil product ddcs are computed, but not presently written to output files. Code execution begins with an on-screen interrogation for input, with defaults available for many aspects. A menu of model options is available within the input interrogation screen. The input is saved to hard drive. Subsequent runs may use this file, use the file with line editor changes, or begin again with the on-line interrogation.
NASA Astrophysics Data System (ADS)
Salvage, Karen M.; Yeh, Gour-Tsyh
1998-08-01
This paper presents the conceptual and mathematical development of the numerical model titled BIOKEMOD, and verification simulations performed using the model. BIOKEMOD is a general computer model for simulation of geochemical and microbiological reactions in batch aqueous solutions. BIOKEMOD may be coupled with hydrologic transport codes for simulation of chemically and biologically reactive transport. The chemical systems simulated may include any mixture of kinetic and equilibrium reactions. The pH, pe, and ionic strength may be specified or simulated. Chemical processes included are aqueous complexation, adsorption, ion-exchange and precipitation/dissolution. Microbiological reactions address growth of biomass and degradation of chemicals by microbial metabolism of substrates, nutrients, and electron acceptors. Inhibition or facilitation of growth due to the presence of specific chemicals and a lag period for microbial acclimation to new substrates may be simulated if significant in the system of interest. Chemical reactions controlled by equilibrium are solved using the law of mass action relating the thermodynamic equilibrium constant to the activities of the products and reactants. Kinetic chemical reactions are solved using reaction rate equations based on collision theory. Microbiologically mediated reactions for substrate removal and biomass growth are assumed to follow Monod kinetics modified for the potentially limiting effects of substrate, nutrient, and electron acceptor availability. BIOKEMOD solves the ordinary differential and algebraic equations of mixed geochemical and biogeochemical reactions using the Newton-Raphson method with full matrix pivoting. Simulations may be either steady state or transient. Input to the program includes the stoichiometry and parameters describing the relevant chemical and microbiological reactions, initial conditions, and sources/sinks for each chemical species. Output includes the chemical and biomass concentrations
Combustion chamber analysis code
NASA Technical Reports Server (NTRS)
Przekwas, A. J.; Lai, Y. G.; Krishnan, A.; Avva, R. K.; Giridharan, M. G.
1993-01-01
A three-dimensional, time dependent, Favre averaged, finite volume Navier-Stokes code has been developed to model compressible and incompressible flows (with and without chemical reactions) in liquid rocket engines. The code has a non-staggered formulation with generalized body-fitted-coordinates (BFC) capability. Higher order differencing methodologies such as MUSCL and Osher-Chakravarthy schemes are available. Turbulent flows can be modeled using any of the five turbulent models present in the code. A two-phase, two-liquid, Lagrangian spray model has been incorporated into the code. Chemical equilibrium and finite rate reaction models are available to model chemically reacting flows. The discrete ordinate method is used to model effects of thermal radiation. The code has been validated extensively against benchmark experimental data and has been applied to model flows in several propulsion system components of the SSME and the STME.
New Mechanical Model for the Transmutation Fuel Performance Code
Gregory K. Miller
2008-04-01
A new mechanical model has been developed for implementation into the TRU fuel performance code. The new model differs from the existing FRAPCON 3 model, which it is intended to replace, in that it will include structural deformations (elasticity, plasticity, and creep) of the fuel. Also, the plasticity algorithm is based on the “plastic strain–total strain” approach, which should allow for more rapid and assured convergence. The model treats three situations relative to interaction between the fuel and cladding: (1) an open gap between the fuel and cladding, such that there is no contact, (2) contact between the fuel and cladding where the contact pressure is below a threshold value, such that axial slippage occurs at the interface, and (3) contact between the fuel and cladding where the contact pressure is above a threshold value, such that axial slippage is prevented at the interface. The first stage of development of the model included only the fuel. In this stage, results obtained from the model were compared with those obtained from finite element analysis using ABAQUS on a problem involving elastic, plastic, and thermal strains. Results from the two analyses showed essentially exact agreement through both loading and unloading of the fuel. After the cladding and fuel/clad contact were added, the model demonstrated expected behavior through all potential phases of fuel/clad interaction, and convergence was achieved without difficulty in all plastic analysis performed. The code is currently in stand alone form. Prior to implementation into the TRU fuel performance code, creep strains will have to be added to the model. The model will also have to be verified against an ABAQUS analysis that involves contact between the fuel and cladding.
Development of a Model and Computer Code to Describe Solar Grade Silicon Production Processes
NASA Technical Reports Server (NTRS)
Srivastava, R.; Gould, R. K.
1979-01-01
The program aims at developing mathematical models and computer codes based on these models, which allow prediction of the product distribution in chemical reactors for converting gaseous silicon compounds to condensed-phase silicon. The major interest is in collecting silicon as a liquid on the reactor walls and other collection surfaces. Two reactor systems are of major interest, a SiCl4/Na reactor in which Si(l) is collected on the flow tube reactor walls and a reactor in which Si(l) droplets formed by the SiCl4/Na reaction are collected by a jet impingement method. During this quarter the following tasks were accomplished: (1) particle deposition routines were added to the boundary layer code; and (2) Si droplet sizes in SiCl4/Na reactors at temperatures below the dew point of Si are being calculated.
A generalized kinetic model for heterogeneous gas-solid reactions.
Xu, Zhijie; Sun, Xin; Khaleel, Mohammad A
2012-08-21
We present a generalized kinetic model for gas-solid heterogeneous reactions taking place at the interface between two phases. The model studies the reaction kinetics by taking into account the reactions at the interface, as well as the transport process within the product layer. The standard unreacted shrinking core model relies on the assumption of quasi-static diffusion that results in a steady-state concentration profile of gas reactant in the product layer. By relaxing this assumption and resolving the entire problem, general solutions can be obtained for reaction kinetics, including the reaction front velocity and the conversion (volume fraction of reacted solid). The unreacted shrinking core model is shown to be accurate and in agreement with the generalized model for slow reaction (or fast diffusion), low concentration of gas reactant, and small solid size. Otherwise, a generalized kinetic model should be used. PMID:22920132
A generalized kinetic model for heterogeneous gas-solid reactions
NASA Astrophysics Data System (ADS)
Xu, Zhijie; Sun, Xin; Khaleel, Mohammad A.
2012-08-01
We present a generalized kinetic model for gas-solid heterogeneous reactions taking place at the interface between two phases. The model studies the reaction kinetics by taking into account the reactions at the interface, as well as the transport process within the product layer. The standard unreacted shrinking core model relies on the assumption of quasi-static diffusion that results in a steady-state concentration profile of gas reactant in the product layer. By relaxing this assumption and resolving the entire problem, general solutions can be obtained for reaction kinetics, including the reaction front velocity and the conversion (volume fraction of reacted solid). The unreacted shrinking core model is shown to be accurate and in agreement with the generalized model for slow reaction (or fast diffusion), low concentration of gas reactant, and small solid size. Otherwise, a generalized kinetic model should be used.
The WARP Code: Modeling High Intensity Ion Beams
Grote, D P; Friedman, A; Vay, J L; Haber, I
2004-12-09
The Warp code, developed for heavy-ion driven inertial fusion energy studies, is used to model high intensity ion (and electron) beams. Significant capability has been incorporated in Warp, allowing nearly all sections of an accelerator to be modeled, beginning with the source. Warp has as its core an explicit, three-dimensional, particle-in-cell model. Alongside this is a rich set of tools for describing the applied fields of the accelerator lattice, and embedded conducting surfaces (which are captured at sub-grid resolution). Also incorporated are models with reduced dimensionality: an axisymmetric model and a transverse ''slice'' model. The code takes advantage of modern programming techniques, including object orientation, parallelism, and scripting (via Python). It is at the forefront in the use of the computational technique of adaptive mesh refinement, which has been particularly successful in the area of diode and injector modeling, both steady-state and time-dependent. In the presentation, some of the major aspects of Warp will be overviewed, especially those that could be useful in modeling ECR sources. Warp has been benchmarked against both theory and experiment. Recent results will be presented showing good agreement of Warp with experimental results from the STS500 injector test stand. Additional information can be found on the web page http://hif.lbl.gov/theory/WARP{_}summary.html.
A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.
Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L
2016-11-01
The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. PMID:27258213
Galactic Cosmic Ray Event-Based Risk Model (GERM) Code
NASA Technical Reports Server (NTRS)
Cucinotta, Francis A.; Plante, Ianik; Ponomarev, Artem L.; Kim, Myung-Hee Y.
2013-01-01
This software describes the transport and energy deposition of the passage of galactic cosmic rays in astronaut tissues during space travel, or heavy ion beams in patients in cancer therapy. Space radiation risk is a probability distribution, and time-dependent biological events must be accounted for physical description of space radiation transport in tissues and cells. A stochastic model can calculate the probability density directly without unverified assumptions about shape of probability density function. The prior art of transport codes calculates the average flux and dose of particles behind spacecraft and tissue shielding. Because of the signaling times for activation and relaxation in the cell and tissue, transport code must describe temporal and microspatial density of functions to correlate DNA and oxidative damage with non-targeted effects of signals, bystander, etc. These are absolutely ignored or impossible in the prior art. The GERM code provides scientists data interpretation of experiments; modeling of beam line, shielding of target samples, and sample holders; and estimation of basic physical and biological outputs of their experiments. For mono-energetic ion beams, basic physical and biological properties are calculated for a selected ion type, such as kinetic energy, mass, charge number, absorbed dose, or fluence. Evaluated quantities are linear energy transfer (LET), range (R), absorption and fragmentation cross-sections, and the probability of nuclear interactions after 1 or 5 cm of water equivalent material. In addition, a set of biophysical properties is evaluated, such as the Poisson distribution for a specified cellular area, cell survival curves, and DNA damage yields per cell. Also, the GERM code calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle in a selected material. The GERM code makes the numerical estimates of basic
Energy Science and Technology Software Center (ESTSC)
1983-03-23
Version 01/02 The code reads multigroup cross sections from a compatible data file and collapses user-selected reaction cross sections to any few-group structure using one of a variety of user neutron flux spectrum options given below: Option Flux description 1 Built-in function including Maxwellian, fission, fusion and slowing-down regions and requiring user-specified parameters and energy-region boundaries. 2 Set of log-log flux-energy interpolation points read from input cross-section data file. 3 Set of log-log flux-energy interpolationmore » points read from user-supplied card input. 4 - 6 Histogram flux values read from user-supplied card input in arbitrary group structure in units of flux-per unit-energy, flux-per-unit lethargy, or integral group flux. LAFPX-E may be used to collapse any set of multigroup reaction cross sections furnished in the required format. However, the code was developed for, and is furnished with, a library of 154-group fission-product cross sections processed from ENDF/B-IV with a typical light water reactor (LWR) flux spectrum and temperature. Four-group radiative capture cross sections produced for LWR calculations are tabulated in the code documentation and are incorporated in the EPRI-CINDER data library, RSIC Code Package CCC-309.« less
Film grain noise modeling in advanced video coding
NASA Astrophysics Data System (ADS)
Oh, Byung Tae; Kuo, C.-C. Jay; Sun, Shijun; Lei, Shawmin
2007-01-01
A new technique for film grain noise extraction, modeling and synthesis is proposed and applied to the coding of high definition video in this work. The film grain noise is viewed as a part of artistic presentation by people in the movie industry. On one hand, since the film grain noise can boost the natural appearance of pictures in high definition video, it should be preserved in high-fidelity video processing systems. On the other hand, video coding with film grain noise is expensive. It is desirable to extract film grain noise from the input video as a pre-processing step at the encoder and re-synthesize the film grain noise and add it back to the decoded video as a post-processing step at the decoder. Under this framework, the coding gain of the denoised video is higher while the quality of the final reconstructed video can still be well preserved. Following this idea, we present a method to remove film grain noise from image/video without distorting its original content. Besides, we describe a parametric model containing a small set of parameters to represent the extracted film grain noise. The proposed model generates the film grain noise that is close to the real one in terms of power spectral density and cross-channel spectral correlation. Experimental results are shown to demonstrate the efficiency of the proposed scheme.
Current Capabilities of the Fuel Performance Modeling Code PARFUME
G. K. Miller; D. A. Petti; J. T. Maki; D. L. Knudson
2004-09-01
The success of gas reactors depends upon the safety and quality of the coated particle fuel. A fuel performance modeling code (called PARFUME), which simulates the mechanical and physico-chemical behavior of fuel particles during irradiation, is under development at the Idaho National Engineering and Environmental Laboratory. Among current capabilities in the code are: 1) various options for calculating CO production and fission product gas release, 2) a thermal model that calculates a time-dependent temperature profile through a pebble bed sphere or a prismatic block core, as well as through the layers of each analyzed particle, 3) simulation of multi-dimensional particle behavior associated with cracking in the IPyC layer, partial debonding of the IPyC from the SiC, particle asphericity, kernel migration, and thinning of the SiC caused by interaction of fission products with the SiC, 4) two independent methods for determining particle failure probabilities, 5) a model for calculating release-to-birth (R/B) ratios of gaseous fission products, that accounts for particle failures and uranium contamination in the fuel matrix, and 6) the evaluation of an accident condition, where a particle experiences a sudden change in temperature following a period of normal irradiation. This paper presents an overview of the code.
Time-dependent recycling modeling with edge plasma transport codes
NASA Astrophysics Data System (ADS)
Pigarov, A.; Krasheninnikov, S.; Rognlien, T.; Taverniers, S.; Hollmann, E.
2013-10-01
First,we discuss extensions to Macroblob approach which allow to simulate more accurately dynamics of ELMs, pedestal and edge transport with UEDGE code. Second,we present UEDGE modeling results for H mode discharge with infrequent ELMs and large pedestal losses on DIII-D. In modeled sequence of ELMs this discharge attains a dynamic equilibrium. Temporal evolution of pedestal plasma profiles, spectral line emission, and surface temperature matching experimental data over ELM cycle is discussed. Analysis of dynamic gas balance highlights important role of material surfaces. We quantified the wall outgassing between ELMs as 3X the NBI fueling and the recycling coefficient as 0.8 for wall pumping via macroblob-wall interactions. Third,we also present results from multiphysics version of UEDGE with built-in, reduced, 1-D wall models and analyze the role of various PMI processes. Progress in framework-coupled UEDGE/WALLPSI code is discussed. Finally, implicit coupling schemes are important feature of multiphysics codes and we report on the results of parametric analysis of convergence and performance for Picard and Newton iterations in a system of coupled deterministic-stochastic ODE and proposed modifications enhancing convergence.
Polymerization as a Model Chain Reaction
ERIC Educational Resources Information Center
Morton, Maurice
1973-01-01
Describes the features of the free radical, anionic, and cationic mechanisms of chain addition polymerization. Indicates that the nature of chain reactions can be best taught through the study of macromolecules. (CC)
Toward a Probabilistic Automata Model of Some Aspects of Code-Switching.
ERIC Educational Resources Information Center
Dearholt, D. W.; Valdes-Fallis, G.
1978-01-01
The purpose of the model is to select either Spanish or English as the language to be used; its goals at this stage of development include modeling code-switching for lexical need, apparently random code-switching, dependency of code-switching upon sociolinguistic context, and code-switching within syntactic constraints. (EJS)
Systematic effects in CALOR simulation code to model experimental configurations
Job, P.K.; Proudfoot, J. ); Handler, T. . Dept. of Physics and Astronomy); Gabriel, T.A. )
1991-03-27
CALOR89 code system is being used to simulate test beam results and the design parameters of several calorimeter configurations. It has been bench-marked against the ZEUS, D{theta} and HELIOS data. This study identifies the systematic effects in CALOR simulation to model the experimental configurations. Five major systematic effects are identified. These are the choice of high energy nuclear collision model, material composition, scintillator saturation, shower integration time, and the shower containment. Quantitative estimates of these systematic effects are presented. 23 refs., 6 figs., 7 tabs.
Temporal perceptual coding using a visual acuity model
NASA Astrophysics Data System (ADS)
Adzic, Velibor; Cohen, Robert A.; Vetro, Anthony
2014-02-01
This paper describes research and results in which a visual acuity (VA) model of the human visual system (HVS) is used to reduce the bitrate of coded video sequences, by eliminating the need to signal transform coefficients when their corresponding frequencies will not be detected by the HVS. The VA model is integrated into the state of the art HEVC HM codec. Compared to the unmodified codec, up to 45% bitrate savings are achieved while maintaining the same subjective quality of the video sequences. Encoding times are reduced as well.
Reaction chain modeling of denitrification reactions during a push-pull test.
Boisson, A; de Anna, P; Bour, O; Le Borgne, T; Labasque, T; Aquilina, L
2013-05-01
Field quantitative estimation of reaction kinetics is required to enhance our understanding of biogeochemical reactions in aquifers. We extended the analytical solution developed by Haggerty et al. (1998) to model an entire 1st order reaction chain and estimate the kinetic parameters for each reaction step of the denitrification process. We then assessed the ability of this reaction chain to model biogeochemical reactions by comparing it with experimental results from a push-pull test in a fractured crystalline aquifer (Ploemeur, French Brittany). Nitrates were used as the reactive tracer, since denitrification involves the sequential reduction of nitrates to nitrogen gas through a chain reaction (NO3(-)→NO2(-)→NO→N2O→N2) under anaerobic conditions. The kinetics of nitrate consumption and by-product formation (NO2(-), N2O) during autotrophic denitrification were quantified by using a reactive tracer (NO3(-)) and a non-reactive tracer (Br(-)). The formation of reaction by-products (NO2(-), N2O, N2) has not been previously considered using a reaction chain approach. Comparison of Br(-) and NO3(-) breakthrough curves showed that 10% of the injected NO3(-) molar mass was transformed during the 12 h experiment (2% into NO2(-), 1% into N2O and the rest into N2 and NO). Similar results, but with slower kinetics, were obtained from laboratory experiments in reactors. The good agreement between the model and the field data shows that the complete denitrification process can be efficiently modeled as a sequence of first order reactions. The 1st order kinetics coefficients obtained through modeling were as follows: k1=0.023 h(-1), k2=0.59 h(-1), k3=16 h(-1), and k4=5.5 h(-1). A next step will be to assess the variability of field reactivity using the methodology developed for modeling push-pull tracer tests. PMID:23500936
Reaction chain modeling of denitrification reactions during a push-pull test
NASA Astrophysics Data System (ADS)
Boisson, A.; de Anna, P.; Bour, O.; Le Borgne, T.; Labasque, T.; Aquilina, L.
2013-05-01
Field quantitative estimation of reaction kinetics is required to enhance our understanding of biogeochemical reactions in aquifers. We extended the analytical solution developed by Haggerty et al. (1998) to model an entire 1st order reaction chain and estimate the kinetic parameters for each reaction step of the denitrification process. We then assessed the ability of this reaction chain to model biogeochemical reactions by comparing it with experimental results from a push-pull test in a fractured crystalline aquifer (Ploemeur, French Brittany). Nitrates were used as the reactive tracer, since denitrification involves the sequential reduction of nitrates to nitrogen gas through a chain reaction (NO3- → NO2- → NO → N2O → N2) under anaerobic conditions. The kinetics of nitrate consumption and by-product formation (NO2-, N2O) during autotrophic denitrification were quantified by using a reactive tracer (NO3-) and a non-reactive tracer (Br-). The formation of reaction by-products (NO2-, N2O, N2) has not been previously considered using a reaction chain approach. Comparison of Br- and NO3- breakthrough curves showed that 10% of the injected NO3- molar mass was transformed during the 12 h experiment (2% into NO2-, 1% into N2O and the rest into N2 and NO). Similar results, but with slower kinetics, were obtained from laboratory experiments in reactors. The good agreement between the model and the field data shows that the complete denitrification process can be efficiently modeled as a sequence of first order reactions. The 1st order kinetics coefficients obtained through modeling were as follows: k1 = 0.023 h- 1, k2 = 0.59 h- 1, k3 = 16 h- 1, and k4 = 5.5 h- 1. A next step will be to assess the variability of field reactivity using the methodology developed for modeling push-pull tracer tests.
NASA Technical Reports Server (NTRS)
Thompson, Richard A.; Lee, Kam-Pui; Gupta, Roop N.
1990-01-01
The computer codes developed provide data to 30000 K for the thermodynamic and transport properties of individual species and reaction rates for the prominent reactions occurring in an 11-species nonequilibrium air model. These properties and the reaction-rate data are computed through the use of curve-fit relations which are functions of temperature (and number density for the equilibrium constant). The curve fits were made using the most accurate data believed available. A detailed review and discussion of the sources and accuracy of the curve-fitted data used herein are given in NASA RP 1232.
Multiphoton dissociation and thermal unimolecular reactions induced by infrared lasers. [REAMPA code
Dai, H.L.
1981-04-01
Multiphoton dissociation (MPD) of ethyl chloride was studied using a tunable 3.3 ..mu..m laser to excite CH stretches. The absorbed energy increases almost linearly with fluence, while for 10 ..mu..m excitation there is substantial saturation. Much higher dissociation yields were observed for 3.3 ..mu..m excitation than for 10 ..mu..m excitation, reflecting bottlenecking in the discrete region of 10 ..mu..m excitation. The resonant nature of the excitation allows the rate equations description for transitions in the quasicontinuum and continuum to be extended to the discrete levels. Absorption cross sections are estimated from ordinary ir spectra. A set of cross sections which is constant or slowly decreasing with increasing vibrational excitation gives good fits to both absorption and dissociation yield data. The rate equations model was also used to quantitatively calculate the pressure dependence of the MPD yield of SF/sub 6/ caused by vibrational self-quenching. Between 1000-3000 cm/sup -1/ of energy is removed from SF/sub 6/ excited to approx. > 60 kcal/mole by collision with a cold SF/sub 6/ molecule at gas kinetic rate. Calculation showed the fluence dependence of dissociation varies strongly with the gas pressure. Infrared multiphoton excitation was applied to study thermal unimolecular reactions. With SiF/sub 4/ as absorbing gas for the CO/sub 2/ laser pulse, transient high temperature pulses were generated in a gas mixture. IR fluorescence from the medium reflected the decay of the temperature. The activation energy and the preexponential factor of the reactant dissociation were obtained from a phenomenological model calculation. Results are presented in detail. (WHK)
MMA, A Computer Code for Multi-Model Analysis
Eileen P. Poeter and Mary C. Hill
2007-08-20
This report documents the Multi-Model Analysis (MMA) computer code. MMA can be used to evaluate results from alternative models of a single system using the same set of observations for all models. As long as the observations, the observation weighting, and system being represented are the same, the models can differ in nearly any way imaginable. For example, they may include different processes, different simulation software, different temporal definitions (for example, steady-state and transient models could be considered), and so on. The multiple models need to be calibrated by nonlinear regression. Calibration of the individual models needs to be completed before application of MMA. MMA can be used to rank models and calculate posterior model probabilities. These can be used to (1) determine the relative importance of the characteristics embodied in the alternative models, (2) calculate model-averaged parameter estimates and predictions, and (3) quantify the uncertainty of parameter estimates and predictions in a way that integrates the variations represented by the alternative models. There is a lack of consensus on what model analysis methods are best, so MMA provides four default methods. Two are based on Kullback-Leibler information, and use the AIC (Akaike Information Criterion) or AICc (second-order-bias-corrected AIC) model discrimination criteria. The other two default methods are the BIC (Bayesian Information Criterion) and the KIC (Kashyap Information Criterion) model discrimination criteria. Use of the KIC criterion is equivalent to using the maximum-likelihood Bayesian model averaging (MLBMA) method. AIC, AICc, and BIC can be derived from Frequentist or Bayesian arguments. The default methods based on Kullback-Leibler information have a number of theoretical advantages, including that they tend to favor more complicated models as more data become available than do the other methods, which makes sense in many situations.
PICA95: An intranuclear-cascade code for 25-MeV to 3.5-GeV photon-induced nuclear reactions
Fu, C.Y.; Gabriel, T.A.; Lillie, R.A.
1997-05-01
PICA95, an intranuclear-cascade code for calculating photon-induced nuclear reactions for incident photon energies up to 3.5 GeV, is an extension of the original PICA code package that works for incident photon energies up to 400 MeV. The original code includes the quasi-deuteron breakup and single-pion production channels. The extension to an incident photon energy of 3.5 GeV requires the addition of multiple-pion production channels capable of emitting up to five pions. Relativistic phase-space relations are used to conserve energy and momentum in multi-body breakups. Fermi motion of the struck nucleon is included in the phase-space calculations as well as secondary nuclear collisions of the produced particles. Calculated doubly differential cross sections for the productions of protons, neutrons, {pi}{sup +}, {pi}{sup 0}, and {pi}{sup {minus}} for incident photon energies of 500 MeV, 1 GeV, and 2 GeV are compared with predictions by other codes. Due to the sparsity of experimental data, more experiments are needed in order to refine the gamma nuclear collision model.
Review of the ALOHA code pool evaporation model
Kalinich, D.A.
1995-11-01
The ALOHA computer code determines the evaporative mass transfer rate from a liquid pool by solving the conservation of mass and energy equations associated with the pool. As part of the solution of the conservation of energy equation, the heat flux from the ground to the pool is calculated. The model used in the ALOHA code is based on the solution of the temperature profile for a one-dimensional semi-infinite slab. This model is only valid for cases in which the boundary condition (pool temperature) is held constant. Thus, when the pool material temperature is not constant, the ALOHA ground-to-pool heat flux calculation may result in a non-conservative evaporation rate. The analytical solution for the temperature profile of a one-dimensional semi-infinite slab with a time-dependent boundary condition requires a priori knowledge of the boundary condition. Lacking such knowledge, a time-dependent finite-difference solution for the ground temperature profile was developed. The temperature gradient, and thus the ground-to-pool heat flux, at the ground-pool interface is determined from the results of the finite-difference solution. The evaporation rates over the conditions sampled using the ALOHA ground-to-pool heat flux model were up to 15% lower than those generated when the finite-difference model to calculate ground-to-pool heat flux. Overall ALOHA code estimates may compensate by judicious selection of input parameters and assumptions. Application to safety analyses thus must be performed cautiously to ensure that estimated chemical source term and its attendant downwind concentrations are bounding.
A model code for the radiative theta pinch
Lee, S.; Saw, S. H.; Lee, P. C. K.; Akel, M.; Damideh, V.; Khattak, N. A. D.; Mongkolnavin, R.; Paosawatyanyong, B.
2014-07-15
A model for the theta pinch is presented with three modelled phases of radial inward shock phase, reflected shock phase, and a final pinch phase. The governing equations for the phases are derived incorporating thermodynamics and radiation and radiation-coupled dynamics in the pinch phase. A code is written incorporating correction for the effects of transit delay of small disturbing speeds and the effects of plasma self-absorption on the radiation. Two model parameters are incorporated into the model, the coupling coefficient f between the primary loop current and the induced plasma current and the mass swept up factor f{sub m}. These values are taken from experiments carried out in the Chulalongkorn theta pinch.
Improved Flow Modeling in Transient Reactor Safety Analysis Computer Codes
Holowach, M.J.; Hochreiter, L.E.; Cheung, F.B.
2002-07-01
A method of accounting for fluid-to-fluid shear in between calculational cells over a wide range of flow conditions envisioned in reactor safety studies has been developed such that it may be easily implemented into a computer code such as COBRA-TF for more detailed subchannel analysis. At a given nodal height in the calculational model, equivalent hydraulic diameters are determined for each specific calculational cell using either laminar or turbulent velocity profiles. The velocity profile may be determined from a separate CFD (Computational Fluid Dynamics) analysis, experimental data, or existing semi-empirical relationships. The equivalent hydraulic diameter is then applied to the wall drag force calculation so as to determine the appropriate equivalent fluid-to-fluid shear caused by the wall for each cell based on the input velocity profile. This means of assigning the shear to a specific cell is independent of the actual wetted perimeter and flow area for the calculational cell. The use of this equivalent hydraulic diameter for each cell within a calculational subchannel results in a representative velocity profile which can further increase the accuracy and detail of heat transfer and fluid flow modeling within the subchannel when utilizing a thermal hydraulics systems analysis computer code such as COBRA-TF. Utilizing COBRA-TF with the flow modeling enhancement results in increased accuracy for a coarse-mesh model without the significantly greater computational and time requirements of a full-scale 3D (three-dimensional) transient CFD calculation. (authors)
Physics models in the toroidal transport code PROCTR
Howe, H.C.
1990-08-01
The physics models that are contained in the toroidal transport code PROCTR are described in detail. Time- and space-dependent models are included for the plasma hydrogenic-ion, helium, and impurity densities, the electron and ion temperatures, the toroidal rotation velocity, and the toroidal current profile. Time- and depth-dependent models for the trapped and mobile hydrogenic particle concentrations in the wall and a time-dependent point model for the number of particles in the limiter are also included. Time-dependent models for neutral particle transport, neutral beam deposition and thermalization, fusion heating, impurity radiation, pellet injection, and the radial electric potential are included and recalculated periodically as the time-dependent models evolve. The plasma solution is obtained either in simple flux coordinates, where the radial shift of each elliptical, toroidal flux surface is included to maintain an approximate pressure equilibrium, or in general three-dimensional torsatron coordinates represented by series of helical harmonics. The detailed coupling of the plasma, scrape-off layer, limiter, and wall models through the neutral transport model makes PROCTR especially suited for modeling of recycling and particle control in toroidal plasmas. The model may also be used in a steady-state profile analysis mode for studying energy and particle balances starting with measured plasma profiles.
MMA, A Computer Code for Multi-Model Analysis
Poeter, Eileen P.; Hill, Mary C.
2007-01-01
This report documents the Multi-Model Analysis (MMA) computer code. MMA can be used to evaluate results from alternative models of a single system using the same set of observations for all models. As long as the observations, the observation weighting, and system being represented are the same, the models can differ in nearly any way imaginable. For example, they may include different processes, different simulation software, different temporal definitions (for example, steady-state and transient models could be considered), and so on. The multiple models need to be calibrated by nonlinear regression. Calibration of the individual models needs to be completed before application of MMA. MMA can be used to rank models and calculate posterior model probabilities. These can be used to (1) determine the relative importance of the characteristics embodied in the alternative models, (2) calculate model-averaged parameter estimates and predictions, and (3) quantify the uncertainty of parameter estimates and predictions in a way that integrates the variations represented by the alternative models. There is a lack of consensus on what model analysis methods are best, so MMA provides four default methods. Two are based on Kullback-Leibler information, and use the AIC (Akaike Information Criterion) or AICc (second-order-bias-corrected AIC) model discrimination criteria. The other two default methods are the BIC (Bayesian Information Criterion) and the KIC (Kashyap Information Criterion) model discrimination criteria. Use of the KIC criterion is equivalent to using the maximum-likelihood Bayesian model averaging (MLBMA) method. AIC, AICc, and BIC can be derived from Frequentist or Bayesian arguments. The default methods based on Kullback-Leibler information have a number of theoretical advantages, including that they tend to favor more complicated models as more data become available than do the other methods, which makes sense in many situations. Many applications of MMA will
Crucial steps to life: From chemical reactions to code using agents.
Witzany, Guenther
2016-02-01
The concepts of the origin of the genetic code and the definitions of life changed dramatically after the RNA world hypothesis. Main narratives in molecular biology and genetics such as the "central dogma," "one gene one protein" and "non-coding DNA is junk" were falsified meanwhile. RNA moved from the transition intermediate molecule into centre stage. Additionally the abundance of empirical data concerning non-random genetic change operators such as the variety of mobile genetic elements, persistent viruses and defectives do not fit with the dominant narrative of error replication events (mutations) as being the main driving forces creating genetic novelty and diversity. The reductionistic and mechanistic views on physico-chemical properties of the genetic code are no longer convincing as appropriate descriptions of the abundance of non-random genetic content operators which are active in natural genetic engineering and natural genome editing. PMID:26723230
The Overlap Model: A Model of Letter Position Coding
ERIC Educational Resources Information Center
Gomez, Pablo; Ratcliff, Roger; Perea, Manuel
2008-01-01
Recent research has shown that letter identity and letter position are not integral perceptual dimensions (e.g., jugde primes judge in word-recognition experiments). Most comprehensive computational models of visual word recognition (e.g., the interactive activation model, J. L. McClelland & D. E. Rumelhart, 1981, and its successors) assume that…
Data Evaluation Acquired Talys 1.0 Code to Produce 111In from Various Accelerator-Based Reactions
NASA Astrophysics Data System (ADS)
Alipoor, Zahra; Gholamzadeh, Zohreh; Sadeghi, Mahdi; Seyyedi, Solaleh; Aref, Morteza
The Indium-111 physical-decay parameters as a β-emitter radionuclide show some potential for radiodiagnostic and radiotherapeutic purposes. Medical investigators have shown that 111In is an important radionuclide for locating and imaging certain tumors, visualization of the lymphatic system and thousands of labeling reactions have been suggested. The TALYS 1.0 code was used here to calculate excitation functions of 112/114-118Sn+p, 110Cd+3He, 109Ag+3He, 111-114Cd+p, 110/111Cd+d, 109Ag+α to produce 111In using low and medium energy accelerators. Calculations were performed up to 200 MeV. Appropriate target thicknesses have been assumed based on energy loss calculations with the SRIM code. Theoretical integral yields for all the latter reactions were calculated. The TALYS 1.0 code predicts that the production of a few curies of 111In is feasible using a target of isotopically highly enriched 112Cd and a proton energy between 12 and 25 MeV with a production rate as 248.97 MBq·μA-1 · h-1. Minimum impurities shall be produced during the proton irradiation of an enriched 111Cd target yielding a production rate for 111In of 67.52 MBq· μA-1 · h-1.
Modeling Relativistic Jets Using the Athena Hydrodynamics Code
NASA Astrophysics Data System (ADS)
Pauls, David; Pollack, Maxwell; Wiita, Paul
2014-11-01
We used the Athena hydrodynamics code (Beckwith & Stone 2011) to model early-stage two-dimensional relativistic jets as approximations to the growth of radio-loud active galactic nuclei. We analyzed variability of the radio emission by calculating fluxes from a vertical strip of zones behind a standing shock, as discussed in the accompanying poster. We found the advance speed of the jet bow shock for various input jet velocities and jet-to-ambient density ratios. Faster jets and higher jet densities produce faster shock advances. We investigated the effects of parameters such as the Courant-Friedrichs-Lewy number, the input jet velocity, and the density ratio on the stability of the simulated jet, finding that numerical instabilities grow rapidly when the CFL number is above 0.1. We found that greater jet input velocities and higher density ratios lengthen the time the jet remains stable. We also examined the effects of the boundary conditions, the CFL number, the input jet velocity, the grid resolution, and the density ratio on the premature termination of Athena code. We found that a grid of 1200 by 1000 zones allows the code to run with minimal errors, while still maintaining an adequate resolution. This work is supported by the Mentored Undergraduate Summer Experience program at TCNJ.
The Overlap Model: A Model of Letter Position Coding
Ratcliff, Roger; Perea, Manuel
2008-01-01
Recent research has shown that letter identity and letter position are not integral perceptual dimensions (e.g., jugde primes judge in word-recognition experiments). Most comprehensive computational models of visual word recognition (e.g., the interactive activation model, J. L. McClelland & D. E. Rumelhart, 1981, and its successors) assume that the position of each letter within a word is perfectly encoded. Thus, these models are unable to explain the presence of effects of letter transposition (trial-trail), letter migration (beard-bread), repeated letters (moose-mouse), or subset/superset effects (faulty-faculty). The authors extend R. Ratcliff's (1981) theory of order relations for encoding of letter positions and show that the model can successfully deal with these effects. The basic assumption is that letters in the visual stimulus have distributions over positions so that the representation of one letter will extend into adjacent letter positions. To test the model, the authors conducted a series of forced-choice perceptual identification experiments. The overlap model produced very good fits to the empirical data, and even a simplified 2-parameter model was capable of producing fits for 104 observed data points with a correlation coefficient of .91. PMID:18729592
Stimulus Coding and Synchrony in Stochastic Neuron Models
NASA Astrophysics Data System (ADS)
Cieniak, Jakub
A stochastic leaky integrate-and-fire neuron model was implemented in this study to simulate the spiking activity of the electrosensory "P-unit" receptor neurons of the weakly electric fish Apteronotus leptorhynchus. In the context of sensory coding, these cells have been previously shown to respond in experiment to natural random narrowband signals with either a linear or nonlinear coding scheme, depending on the intrinsic firing rate of the cell in the absence of external stimulation. It was hypothesised in this study that this duality is due to the relation of the stimulus to the neuron's excitation threshold. This hypothesis was validated with the model by lowering the threshold of the neuron or increasing its intrinsic noise, or randomness, either of which made the relation between firing rate and input strength more linear. Furthermore, synchronous P-unit firing to a common input also plays a role in decoding the stimulus at deeper levels of the neural pathways. Synchronisation and desynchronisation between multiple model responses for different types of natural communication signals were shown to agree with experimental observations. A novel result of resonance-induced synchrony enhancement of P-units to certain communication frequencies was also found.
Chen, Juhui; Yin, Weijie; Wang, Shuai; Meng, Cheng; Li, Jiuru; Qin, Bai; Yu, Guangbin
2016-07-01
Large-eddy simulation (LES) approach is used for gas turbulence, and eddy dissipation concept (EDC)-sub-grid scale (SGS) reaction model is employed for reactions in small eddies. The simulated gas molar fractions are in better agreement with experimental data with EDC-SGS reaction model. The effect of reactions in small eddies on biomass gasification is emphatically analyzed with EDC-SGS reaction model. The distributions of the SGS reaction rates which represent the reactions in small eddies with particles concentration and temperature are analyzed. The distributions of SGS reaction rates have the similar trend with those of total reactions rates and the values account for about 15% of the total reactions rates. The heterogeneous reaction rates with EDC-SGS reaction model are also improved during the biomass gasification process in bubbling fluidized bed. PMID:27010338
Modelling couplings between reaction, fluid flow and deformation: Kinetics
NASA Astrophysics Data System (ADS)
Malvoisin, Benjamin; Podladchikov, Yury Y.; Connolly, James A. D.
2016-04-01
Mineral assemblages out of equilibrium are commonly found in metamorphic rocks testifying of the critical role of kinetics for metamorphic reactions. As experimentally determined reaction rates in fluid-saturated systems generally indicate complete reaction in less than several years, i.e. several orders of magnitude faster than field-based estimates, metamorphic reaction kinetics are generally thought to be controlled by transport rather than by processes at the mineral surface. However, some geological processes like earthquakes or slow-slip events have shorter characteristic timescales, and transport processes can be intimately related to mineral surface processes. Therefore, it is important to take into account the kinetics of mineral surface processes for modelling fluid/rock interactions. Here, a model coupling reaction, fluid flow and deformation was improved by introducing a delay in the achievement of equilibrium. The classical formalism for dissolution/precipitation reactions was used to consider the influence of the distance from equilibrium and of temperature on the reaction rate, and a dependence on porosity was introduced to model evolution of reacting surface area during reaction. The fitting of experimental data for three reactions typically occurring in metamorphic systems (serpentine dehydration, muscovite dehydration and calcite decarbonation) indicates a systematic faster kinetics close from equilibrium on the dehydration side than on the hydration side. This effect is amplified through the porosity term in the reaction rate since porosity is formed during dehydration. Numerical modelling indicates that this difference in reaction rate close from equilibrium plays a key role in microtextures formation. The developed model can be used in a wide variety of geological systems where couplings between reaction, deformation and fluid flow have to be considered.
Development of reaction models for ground-water systems
Plummer, L.N.; Parkhurst, D.L.; Thorstenson, D.C.
1983-01-01
Methods are described for developing geochemical reaction models from the observed chemical compositions of ground water along a hydrologic flow path. The roles of thermodynamic speciation programs, mass balance calculations, and reaction-path simulations in developing and testing reaction models are contrasted. Electron transfer is included in the mass balance equations to properly account for redox reactions in ground water. The mass balance calculations determine net mass transfer models which must be checked against the thermodynamic calculations of speciation and reaction-path programs. Although reaction-path simulations of ground-water chemistry are thermodynamically valid, they must be checked against the net mass transfer defined by the mass balance calculations. An example is given testing multiple reaction hypotheses along a flow path in the Floridan aquifer where several reaction models are eliminated. Use of carbon and sulfur isotopic data with mass balance calculations indicates a net reaction of incongruent dissolution of dolomite (dolomite dissolution with calcite precipitation) driven irreversibly by gypsum dissolution, accompanied by minor sulfate reduction, ferric hydroxide dissolution, and pyrite precipitation in central Florida. Along the flow path, the aquifer appears to be open to CO2 initially, and open to organic carbon at more distant points down gradient. ?? 1983.
Modeling Second-Order Chemical Reactions using Cellular Automata
NASA Astrophysics Data System (ADS)
Hunter, N. E.; Barton, C. C.; Seybold, P. G.; Rizki, M. M.
2012-12-01
Cellular automata (CA) are discrete, agent-based, dynamic, iterated, mathematical computational models used to describe complex physical, biological, and chemical systems. Unlike the more computationally demanding molecular dynamics and Monte Carlo approaches, which use "force fields" to model molecular interactions, CA models employ a set of local rules. The traditional approach for modeling chemical reactions is to solve a set of simultaneous differential rate equations to give deterministic outcomes. CA models yield statistical outcomes for a finite number of ingredients. The deterministic solutions appear as limiting cases for conditions such as a large number of ingredients or a finite number of ingredients and many trials. Here we present a 2-dimensional, probabilistic CA model of a second-order gas phase reaction A + B → C, using a MATLAB basis. Beginning with a random distribution of ingredients A and B, formation of C emerges as the system evolves. The reaction rate can be varied based on the probability of favorable collisions of the reagents A and B. The model permits visualization of the conversion of reagents to products, and allows one to plot concentration vs. time for A, B and C. We test hypothetical reaction conditions such as: limiting reagents, the effects of reaction probabilities, and reagent concentrations on the reaction kinetics. The deterministic solutions of the reactions emerge as statistical averages in the limit of the large number of cells in the array. Modeling results for dynamic processes in the atmosphere will be presented.
7 CFR Exhibit E to Subpart A of... - Voluntary National Model Building Codes
Code of Federal Regulations, 2012 CFR
2012-01-01
... 7 Agriculture 12 2012-01-01 2012-01-01 false Voluntary National Model Building Codes E Exhibit E... National Model Building Codes The following documents address the health and safety aspects of buildings and related structures and are voluntary national model building codes as defined in § 1924.4(h)(2)...
7 CFR Exhibit E to Subpart A of... - Voluntary National Model Building Codes
Code of Federal Regulations, 2013 CFR
2013-01-01
... 7 Agriculture 12 2013-01-01 2013-01-01 false Voluntary National Model Building Codes E Exhibit E... National Model Building Codes The following documents address the health and safety aspects of buildings and related structures and are voluntary national model building codes as defined in § 1924.4(h)(2)...
7 CFR Exhibit E to Subpart A of... - Voluntary National Model Building Codes
Code of Federal Regulations, 2014 CFR
2014-01-01
... 7 Agriculture 12 2014-01-01 2013-01-01 true Voluntary National Model Building Codes E Exhibit E to... Model Building Codes The following documents address the health and safety aspects of buildings and related structures and are voluntary national model building codes as defined in § 1924.4(h)(2) of...
7 CFR Exhibit E to Subpart A of... - Voluntary National Model Building Codes
Code of Federal Regulations, 2011 CFR
2011-01-01
... 7 Agriculture 12 2011-01-01 2011-01-01 false Voluntary National Model Building Codes E Exhibit E... National Model Building Codes The following documents address the health and safety aspects of buildings and related structures and are voluntary national model building codes as defined in § 1924.4(h)(2)...
Sodium spray and jet fire model development within the CONTAIN-LMR code
Scholtyssek, W.; Murata, K.K.
1993-12-31
An assessment was made of the sodium spray fire model implemented in the CONTAIN code. The original droplet burn model, which was based on the NACOM code, was improved in several aspects, especially concerning evaluation of the droplet burning rate, reaction chemistry and heat balance, spray geometry and droplet motion, and consistency with CONTAIN standards of gas property evaluation. An additional droplet burning model based on a proposal by Krolikowski was made available to include the effect of the chemical equilibrium conditions at the flame temperature. The models were validated against single-droplet burn experiments as well as spray and jet fire experiments. Reasonable agreement was found between the two burn models and experimental data. When the gas temperature in the burning compartment reaches high values, the Krolikowski model seems to be preferable. Critical parameters for spray fire evaluation were found to be the spray characterization, especially the droplet size, which largely determines the burning efficiency, and heat transfer conditions at the interface between the atmosphere and structures, which controls the thermal hydraulic behavior in the burn compartment.
A Simple Model of Optimal Population Coding for Sensory Systems
Doi, Eizaburo; Lewicki, Michael S.
2014-01-01
A fundamental task of a sensory system is to infer information about the environment. It has long been suggested that an important goal of the first stage of this process is to encode the raw sensory signal efficiently by reducing its redundancy in the neural representation. Some redundancy, however, would be expected because it can provide robustness to noise inherent in the system. Encoding the raw sensory signal itself is also problematic, because it contains distortion and noise. The optimal solution would be constrained further by limited biological resources. Here, we analyze a simple theoretical model that incorporates these key aspects of sensory coding, and apply it to conditions in the retina. The model specifies the optimal way to incorporate redundancy in a population of noisy neurons, while also optimally compensating for sensory distortion and noise. Importantly, it allows an arbitrary input-to-output cell ratio between sensory units (photoreceptors) and encoding units (retinal ganglion cells), providing predictions of retinal codes at different eccentricities. Compared to earlier models based on redundancy reduction, the proposed model conveys more information about the original signal. Interestingly, redundancy reduction can be near-optimal when the number of encoding units is limited, such as in the peripheral retina. We show that there exist multiple, equally-optimal solutions whose receptive field structure and organization vary significantly. Among these, the one which maximizes the spatial locality of the computation, but not the sparsity of either synaptic weights or neural responses, is consistent with known basic properties of retinal receptive fields. The model further predicts that receptive field structure changes less with light adaptation at higher input-to-output cell ratios, such as in the periphery. PMID:25121492
Kinetic models of gene expression including non-coding RNAs
NASA Astrophysics Data System (ADS)
Zhdanov, Vladimir P.
2011-03-01
In cells, genes are transcribed into mRNAs, and the latter are translated into proteins. Due to the feedbacks between these processes, the kinetics of gene expression may be complex even in the simplest genetic networks. The corresponding models have already been reviewed in the literature. A new avenue in this field is related to the recognition that the conventional scenario of gene expression is fully applicable only to prokaryotes whose genomes consist of tightly packed protein-coding sequences. In eukaryotic cells, in contrast, such sequences are relatively rare, and the rest of the genome includes numerous transcript units representing non-coding RNAs (ncRNAs). During the past decade, it has become clear that such RNAs play a crucial role in gene expression and accordingly influence a multitude of cellular processes both in the normal state and during diseases. The numerous biological functions of ncRNAs are based primarily on their abilities to silence genes via pairing with a target mRNA and subsequently preventing its translation or facilitating degradation of the mRNA-ncRNA complex. Many other abilities of ncRNAs have been discovered as well. Our review is focused on the available kinetic models describing the mRNA, ncRNA and protein interplay. In particular, we systematically present the simplest models without kinetic feedbacks, models containing feedbacks and predicting bistability and oscillations in simple genetic networks, and models describing the effect of ncRNAs on complex genetic networks. Mathematically, the presentation is based primarily on temporal mean-field kinetic equations. The stochastic and spatio-temporal effects are also briefly discussed.
Physicochemical analog for modeling superimposed and coded memories
NASA Astrophysics Data System (ADS)
Ensanian, Minas
1992-07-01
The mammalian brain is distinguished by a life-time of memories being stored within the same general region of physicochemical space, and having two extraordinary features. First, memories to varying degrees are superimposed, as well as coded. Second, instantaneous recall of past events can often be affected by relatively simple, and seemingly unrelated sensory clues. For the purposes of attempting to mathematically model such complex behavior, and for gaining additional insights, it would be highly advantageous to be able to simulate or mimic similar behavior in a nonbiological entity where some analogical parameters of interest can reasonably be controlled. It has recently been discovered that in nonlinear accumulative metal fatigue memories (related to mechanical deformation) can be superimposed and coded in the crystal lattice, and that memory, that is, the total number of stress cycles can be recalled (determined) by scanning not the surfaces but the `edges' of the objects. The new scanning technique known as electrotopography (ETG) now makes the state space modeling of metallic networks possible. The author provides an overview of the new field and outlines the areas that are of immediate interest to the science of artificial neural networks.
Barths, H.; Felsch, C.; Peters, N.
2008-11-15
The objective of this work is the development of a consistent mixing model for the two-way-coupling of a CFD code and a multi-zone code based on multiple zero-dimensional reactors. The two-way-coupling allows for a computationally efficient modeling of HCCI combustion. The physical domain in the CFD code is subdivided into multiple zones based on three phase variables (fuel mixture fraction, dilution, and total enthalpy). Those phase variables are sufficient for the description of the thermodynamic state of each zone, assuming that each zone is at the same pressure. Each zone in the CFD code is represented by a corresponding zone in the zero-dimensional code. The zero-dimensional code solves the chemistry for each zone, and the heat release is fed back into the CFD code. The difficulty in facing this kind of methodology is to keep the thermodynamic state of each zone consistent between the CFD code and the zero-dimensional code after the initialization of the zones in the multi-zone code has taken place. The thermodynamic state of each zone (and thereby the phase variables) will change in time due to mixing and source terms (e.g., vaporization of fuel, wall heat transfer). The focus of this work lies on a consistent description of the mixing between the zones in phase space in the zero-dimensional code, based on the solution of the CFD code. Two mixing models with different degrees of accuracy, complexity, and numerical effort are described. The most elaborate mixing model (and an appropriate treatment of the source terms) keeps the thermodynamic state of the zones in the CFD code and the zero-dimensional code identical. The models are applied to a test case of HCCI combustion in an engine. (author)
Barths, H.; Felsch, C.; Peters, N.
2009-01-15
The objective of this work is the development of a consistent mixing model for the two-way-coupling of a CFD code and a multi-zone code based on multiple zero-dimensional reactors. The two-way-coupling allows for a computationally efficient modeling of HCCI combustion. The physical domain in the CFD code is subdivided into multiple zones based on three phase variables (fuel mixture fraction, dilution, and total enthalpy). Those phase variables are sufficient for the description of the thermodynamic state of each zone, assuming that each zone is at the same pressure. Each zone in the CFD code is represented by a corresponding zone in the zero-dimensional code. The zero-dimensional code solves the chemistry for each zone, and the heat release is fed back into the CFD code. The difficulty in facing this kind of methodology is to keep the thermodynamic state of each zone consistent between the CFD code and the zero-dimensional code after the initialization of the zones in the multi-zone code has taken place. The thermodynamic state of each zone (and thereby the phase variables) will change in time due to mixing and source terms (e.g., vaporization of fuel, wall heat transfer). The focus of this work lies on a consistent description of the mixing between the zones in phase space in the zero-dimensional code, based on the solution of the CFD code. Two mixing models with different degrees of accuracy, complexity, and numerical effort are described. The most elaborate mixing model (and an appropriate treatment of the source terms) keeps the thermodynamic state of the zones in the CFD code and the zero-dimensional code identical. The models are applied to a test case of HCCI combustion in an engine. (author)
CHEMICAL REACTIONS SIMULATED BY GROUND-WATER-QUALITY MODELS.
Grove, David B.; Stollenwerk, Kenneth G.
1987-01-01
Recent literature concerning the modeling of chemical reactions during transport in ground water is examined with emphasis on sorption reactions. The theory of transport and reactions in porous media has been well documented. Numerous equations have been developed from this theory, to provide both continuous and sequential or multistep models, with the water phase considered for both mobile and immobile phases. Chemical reactions can be either equilibrium or non-equilibrium, and can be quantified in linear or non-linear mathematical forms. Non-equilibrium reactions can be separated into kinetic and diffusional rate-limiting mechanisms. Solutions to the equations are available by either analytical expressions or numerical techniques. Saturated and unsaturated batch, column, and field studies are discussed with one-dimensional, laboratory-column experiments predominating. A summary table is presented that references the various kinds of models studied and their applications in predicting chemical concentrations in ground waters.
Supramolecular structures modeling photosynthetic reaction center function
Wasielewski, M.R.; Gaines, G.L. III; Gosztola, D.; Niemczyk, M.P.; Svec, W.A.
1992-08-20
Work in our laboratory has focused on the influence of solvent motion on the rates and energetics of photochemical charge separation in glassy solids. The efficiencies of many nonadiabatic electron transfer reactions involving photochemical electron donors with relatively low excited state energies, such as porphyrins and chlorophylls, are poor in the solid state. Recent work has shown that placing a porphyrin-acceptor system in a glassy solid at low temperature significantly raises the energy of ks ion-pair state. This destabilization can be as much as 0.8 eV relative to the ion pair state energy in a polar liquid. This contrasts sharply with photosynthetic reaction centers, which maintain medium-independent electron transfer rates with relatively small free energies of charge separation. Using this information we have set out to design photochemical systems that produce long-lived radical ion pairs in glassy solids with high quantum efficiency. These systems maintain their efficiency when placed in other glassy matrices, such as polymers. An important consequence of this effort is the design of molecules that minimize the electronic interaction between the oxidized donor and reduced acceptor. This minimization can be attained by careful design of the spacer groups linking the donor and acceptor and by using more than a single electron transfer step to increase the distance between the separated charges as is done in natural photosynthesis.
Reactive radical facilitated reaction-diffusion modeling for holographic photopolymerization
Liu Jianhua; Pu Haihui; Gao Bin; Gao Hongyue; Yin Dejin; Dai Haitao
2010-02-08
A phenomenological concentration of reactive radical is proposed to take the role of curing light intensity in explicit proportion to the reaction rate for the conventional reaction-diffusion model. This revision rationally eliminates the theoretical defect of null reaction rate in modeling of the postcuring process, and facilitates the applicability of the model in the whole process of holographic photopolymerizations in photocurable monomer and nematic liquid crystal blend system. Excellent consistencies are obtained in both curing and postcuring processes between simulated and experimentally measured evolutions of the first order diffraction efficiency of the formed composite Bragg gratings.
Anomalous Impact in Reaction-Diffusion Financial Models
NASA Astrophysics Data System (ADS)
Mastromatteo, I.; Tóth, B.; Bouchaud, J.-P.
2014-12-01
We generalize the reaction-diffusion model A +B → /0 in order to study the impact of an excess of A (or B ) at the reaction front. We provide an exact solution of the model, which shows that the linear response breaks down: the average displacement of the reaction front grows as the square root of the imbalance. We argue that this model provides a highly simplified but generic framework to understand the square-root impact of large orders in financial markets.
Modeling of alkali aggregate reaction effects in concrete dams
Capra, B.; Bournazel, J.P.; Bourdarot, E.
1995-12-31
Alkali Aggregate Reactions (AAR) are difficult to model due to the random distribution of the reactive sites and the imperfect knowledge of these chemical reactions. A new approach, using fracture mechanics and probabilities, capable to describe the anisotropic swelling of a structure is presented.
Reading and a Diffusion Model Analysis of Reaction Time
Naples, Adam; Katz, Leonard; Grigorenko, Elena L.
2012-01-01
Processing speed is associated with reading performance. However, the literature is not clear either on the definition of processing speed or on why and how it contributes to reading performance. In this study we demonstrated that processing speed, as measured by reaction time, is not a unitary construct. Using the diffusion model of two-choice reaction time, we assessed processing speed in a series of same-different reaction time tasks for letter and number strings. We demonstrated that the association between reaction time and reading performance is driven by processing speed for reading-related information, but not motor or sensory encoding speed. PMID:22612543
The Sugar Model: Autocatalytic Activity of the Triose Ammonia Reaction
NASA Astrophysics Data System (ADS)
Weber, Arthur L.
2007-04-01
Reaction of triose sugars with ammonia under anaerobic conditions yielded autocatalytic products. The autocatalytic behavior of the products was examined by measuring the effect of the crude triose ammonia reaction product on the kinetics of a second identical triose ammonia reaction. The reaction product showed autocatalytic activity by increasing both the rate of disappearance of triose and the rate of formation of pyruvaldehyde, the product of triose dehydration. This synthetic process is considered a reasonable model of origin-of-life chemistry because it uses plausible prebiotic substrates, and resembles modern biosynthesis by employing the energized carbon groups of sugars to drive the synthesis of autocatalytic molecules.
Use of the nuclear model code GNASH to calculate cross section data at energies up to 100 MeV
Young, P.G.; Chadwick, M.B.; Bosoian, M.
1992-12-01
The nuclear theory code GNASH has been used to calculate nuclear data for incident neutrons, protons, and deuterons at energies up to 100 MeV. Several nuclear models and theories are important in the 10--100 MeV energy range, including Hauser-Feshbach statistical theory, spherical and deformed optical model, preequilibrium theory, nuclear level densities, fission theory, and direct reaction theory. In this paper we summarize general features of the models in GNASH and describe the methodology utilized to determine relevant model parameters. We illustrate the significance of several of the models and include comparisons with experimental data for certain target materials that are important in applications.
Use of the nuclear model code GNASH to calculate cross section data at energies up to 100 MeV
Young, P.G.; Chadwick, M.B.; Bosoian, M.
1992-01-01
The nuclear theory code GNASH has been used to calculate nuclear data for incident neutrons, protons, and deuterons at energies up to 100 MeV. Several nuclear models and theories are important in the 10--100 MeV energy range, including Hauser-Feshbach statistical theory, spherical and deformed optical model, preequilibrium theory, nuclear level densities, fission theory, and direct reaction theory. In this paper we summarize general features of the models in GNASH and describe the methodology utilized to determine relevant model parameters. We illustrate the significance of several of the models and include comparisons with experimental data for certain target materials that are important in applications.