Science.gov

Sample records for cranked-shell model calculations

  1. ON-LINE CALCULATOR: FORWARD CALCULATION JOHNSON ETTINGER MODEL

    EPA Science Inventory

    On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

  2. An Instructional Model for Integrating the Calculator.

    ERIC Educational Resources Information Center

    Berlin, Donna F.; White, Arthur L.

    1987-01-01

    The design, selection, and organization of instructional materials that integrate calculators are described in relation to a model based on movement and representational level. Instructional resources and advantages of the model are described. (MNS)

  3. Carbon cycle modeling calculations for the IPCC

    SciTech Connect

    Wuebbles, D.J.; Jain, A.K.

    1993-08-12

    We carried out essentially all the carbon cycle modeling calculations that were required by the IPCC Working Group 1. Specifically, IPCC required two types of calculations, namely, ``inverse calculations`` (input was CO{sub 2} concentrations and the output was CO{sub 2} emissions), and the ``forward calculations`` (input was CO{sub 2} emissions and output was CO{sub 2} concentrations). In particular, we have derived carbon dioxide concentrations and/or emissions for several scenarios using our coupled climate-carbon cycle modelling system.

  4. Precipitates/Salts Model Sensitivity Calculation

    SciTech Connect

    P. Mariner

    2001-12-20

    The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation on potential seepage waters within a potential repository drift. This work is developed and documented using procedure AP-3.12Q, ''Calculations'', in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The specific objective of this calculation is to examine the sensitivity and uncertainties of the Precipitates/Salts model. The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b). The calculation in the current document examines the effects of starting water composition, mineral suppressions, and the fugacity of carbon dioxide (CO{sub 2}) on the chemical evolution of water in the drift.

  5. Numerical Calculation of Model Rocket Trajectories.

    ERIC Educational Resources Information Center

    Keeports, David

    1990-01-01

    Discussed is the use of model rocketry to teach the principles of Newtonian mechanics. Included are forces involved; calculations for vertical launches; two-dimensional trajectories; and variations in mass, drag, and launch angle. (CW)

  6. Hybrid reduced order modeling for assembly calculations

    DOE PAGES

    Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; ...

    2015-08-14

    While the accuracy of assembly calculations has greatly improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the usemore » of the reduced order modeling for a single physics code, such as a radiation transport calculation. This paper extends those works to coupled code systems as currently employed in assembly calculations. Finally, numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.« less

  7. Hybrid reduced order modeling for assembly calculations

    SciTech Connect

    Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; Mertyurek, Ugur

    2015-08-14

    While the accuracy of assembly calculations has greatly improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This paper extends those works to coupled code systems as currently employed in assembly calculations. Finally, numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.

  8. ON-LINE CALCULATOR: JOHNSON ETTINGER VAPOR INTRUSION MODEL

    EPA Science Inventory

    On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

  9. Configuration mixing calculations in soluble models

    NASA Astrophysics Data System (ADS)

    Cambiaggio, M. C.; Plastino, A.; Szybisz, L.; Miller, H. G.

    1983-07-01

    Configuration mixing calculations have been performed in two quasi-spin models using basis states which are solutions of a particular set of Hartree-Fock equations. Each of these solutions, even those which do not correspond to the global minimum, is found to contain interesting physical information. Relatively good agreement with the exact lowest-lying states has been obtained. In particular, one obtains a better approximation to the ground state than that provided by Hartree-Fock.

  10. Actinic Flux Calculations: A Model Sensitivity Study

    NASA Technical Reports Server (NTRS)

    Krotkov, Nickolay A.; Flittner, D.; Ahmad, Z.; Herman, J. R.; Einaudi, Franco (Technical Monitor)

    2000-01-01

    calculate direct and diffuse surface irradiance and actinic flux (downwelling (2p) and total (4p)) for the reference model. Sensitivity analysis has shown that the accuracy of the radiative transfer flux calculations for a unit ETS (i.e. atmospheric transmittance) together with a numerical interpolation technique for the constituents' vertical profiles is better than 1% for SZA less than 70(sub o) and wavelengths longer than 310 nm. The differences increase for shorter wavelengths and larger SZA, due to the differences in pseudo-spherical correction techniques and vertical discretetization among the codes. Our sensitivity study includes variation of ozone cross-sections, ETS spectra and the effects of wavelength shifts between vacuum and air scales. We also investigate the effects of aerosols on the spectral flux components in the UV and visible spectral regions. The "aerosol correction factors" (ACFs) were calculated at discrete wavelengths and different SZAs for each flux component (direct, diffuse, reflected) and prescribed IPMMI aerosol parameters. Finally, the sensitivity study was extended to calculation of selected photolysis rates coefficients.

  11. Model calculations of superlubricity of graphite

    NASA Astrophysics Data System (ADS)

    Verhoeven, Gertjan S.; Dienwiebel, Martin; Frenken, Joost W.

    2004-10-01

    In this paper, friction between a finite, nanometer-sized, rigid graphite flake and a rigid graphite surface is analyzed theoretically in the framework of a modified Tomlinson model. Lateral forces are studied as a function of orientational misfit between flake and surface lattices, pulling direction of the flake, flake size and flake shape. The calculations show that the orientation dependence of the friction provides information on the contact size and shape. We find good agreement between the calculations and the experimental results, discussed in a recent publication by Dienwiebel et al. [

    M. Dienwiebel, G. S. Verhoeven, N. Pradeep, J. W. M. Frenken, J. A. Heimberg, and H. W. Zandbergen, Phys. Rev. Lett. 92, 126101 (2004)
    ].

  12. Extremity model for neutron dose calculations

    SciTech Connect

    Sattelberger, J. A.; Shores, E. F.

    2001-01-01

    In personnel dosimetry for external radiation exposures, health physicists tend to focus on measurement of whole body dose, where 'whole body' is generally regarded as the torso on which the dosimeter is placed.' Although a variety of scenarios exist in which workers must handle radioactive materials, whole body dose estimates may not be appropriate when assessing dose, particularly to the extremities. For example, consider sources used for instrument calibration. If such sources are in a contact geometry (e.g. held by fingers), an extremity dose estimate may be more relevant than a whole body dose. However, because questions arise regarding how that dose should be calculated, a detailed extremity model was constructed with the MCNP-4Ca Monte Carlo code. Although initially intended for use with gamma sources, recent work by Shores2 provided the impetus to test the model with neutrons.

  13. Global Microscopic Models for Nuclear Reaction Calculations

    SciTech Connect

    Goriely, S.

    2005-05-24

    Important effort has been devoted in the last decades to measuring reaction cross sections. Despite such effort, many nuclear applications still require the use of theoretical predictions to estimate experimentally unknown cross sections. Most of the nuclear ingredients in the calculations of reaction cross sections need to be extrapolated in an energy and/or mass domain out of reach of laboratory simulations. In addition, some applications often involve a large number of unstable nuclei, so that only global approaches can be used. For these reasons, when the nuclear ingredients to the reaction models cannot be determined from experimental data, it is highly recommended to consider preferentially microscopic or semi-microscopic global predictions based on sound and reliable nuclear models which, in turn, can compete with more phenomenological highly-parameterized models in the reproduction of experimental data. The latest developments made in deriving such microscopic models for practical applications are reviewed. It mainly concerns nuclear structure properties (masses, deformations, radii, etc.), level densities at the equilibrium deformation, {gamma}-ray strength, as well as fission barriers and level densities at the fission saddle points.

  14. batman: BAsic Transit Model cAlculatioN in Python

    NASA Astrophysics Data System (ADS)

    Kreidberg, Laura

    2015-10-01

    batman provides fast calculation of exoplanet transit light curves and supports calculation of light curves for any radially symmetric stellar limb darkening law. It uses an integration algorithm for models that cannot be quickly calculated analytically, and in typical use, the batman Python package can calculate a million model light curves in well under ten minutes for any limb darkening profile.

  15. Model potential calculations of lithium transitions.

    NASA Technical Reports Server (NTRS)

    Caves, T. C.; Dalgarno, A.

    1972-01-01

    Semi-empirical potentials are constructed that have eigenvalues close in magnitude to the binding energies of the valence electron in lithium. The potentials include the long range polarization force between the electron and the core. The corresponding eigenfunctions are used to calculate dynamic polarizabilities, discrete oscillator strengths, photoionization cross sections and radiative recombination coefficients. A consistent application of the theory imposes a modification on the transition operator, but its effects are small for lithium. The method presented can be regarded as a numerical generalization of the widely used Coulomb approximation.

  16. CALCULATION OF PHYSICOCHEMICAL PROPERTIES FOR ENVIRONMENTAL MODELING

    EPA Science Inventory

    Recent trends in environmental regulatory strategies dictate that EPA will rely heavily on predictive modeling to carry out the increasingly complex array of exposure and risk assessments necessary to develop scientifically defensible regulations. In response to this need, resea...

  17. Models for Automated Tube Performance Calculations

    SciTech Connect

    C. Brunkhorst

    2002-12-12

    High power radio-frequency systems, as typically used in fusion research devices, utilize vacuum tubes. Evaluation of vacuum tube performance involves data taken from tube operating curves. The acquisition of data from such graphical sources is a tedious process. A simple modeling method is presented that will provide values of tube currents for a given set of element voltages. These models may be used as subroutines in iterative solutions of amplifier operating conditions for a specific loading impedance.

  18. Quantum Biological Channel Modeling and Capacity Calculation

    PubMed Central

    Djordjevic, Ivan B.

    2012-01-01

    Quantum mechanics has an important role in photosynthesis, magnetoreception, and evolution. There were many attempts in an effort to explain the structure of genetic code and transfer of information from DNA to protein by using the concepts of quantum mechanics. The existing biological quantum channel models are not sufficiently general to incorporate all relevant contributions responsible for imperfect protein synthesis. Moreover, the problem of determination of quantum biological channel capacity is still an open problem. To solve these problems, we construct the operator-sum representation of biological channel based on codon basekets (basis vectors), and determine the quantum channel model suitable for study of the quantum biological channel capacity and beyond. The transcription process, DNA point mutations, insertions, deletions, and translation are interpreted as the quantum noise processes. The various types of quantum errors are classified into several broad categories: (i) storage errors that occur in DNA itself as it represents an imperfect storage of genetic information, (ii) replication errors introduced during DNA replication process, (iii) transcription errors introduced during DNA to mRNA transcription, and (iv) translation errors introduced during the translation process. By using this model, we determine the biological quantum channel capacity and compare it against corresponding classical biological channel capacity. We demonstrate that the quantum biological channel capacity is higher than the classical one, for a coherent quantum channel model, suggesting that quantum effects have an important role in biological systems. The proposed model is of crucial importance towards future study of quantum DNA error correction, developing quantum mechanical model of aging, developing the quantum mechanical models for tumors/cancer, and study of intracellular dynamics in general. PMID:25371271

  19. Beyond standard model calculations with Sherpa

    DOE PAGES

    Höche, Stefan; Kuttimalai, Silvan; Schumann, Steffen; ...

    2015-03-24

    We present a fully automated framework as part of the Sherpa event generator for the computation of tree-level cross sections in beyond Standard Model scenarios, making use of model information given in the Universal FeynRules Output format. Elementary vertices are implemented into C++ code automatically and provided to the matrix-element generator Comix at runtime. Widths and branching ratios for unstable particles are computed from the same building blocks. The corresponding decays are simulated with spin correlations. Parton showers, QED radiation and hadronization are added by Sherpa, providing a full simulation of arbitrary BSM processes at the hadron level.

  20. Martian Radiation Environment: Model Calculations and Recent Measurements with "MARIE"

    NASA Technical Reports Server (NTRS)

    Saganti, P. B.; Cucinotta, F. A.; zeitlin, C. J.; Cleghorn, T. F.

    2004-01-01

    The Galactic Cosmic Ray spectra in Mars orbit were generated with the recently expanded HZETRN (High Z and Energy Transport) and QMSFRG (Quantum Multiple-Scattering theory of nuclear Fragmentation) model calculations. These model calculations are compared with the first eighteen months of measured data from the MARIE (Martian Radiation Environment Experiment) instrument onboard the 2001 Mars Odyssey spacecraft that is currently in Martian orbit. The dose rates observed by the MARIE instrument are within 10% of the model calculated predictions. Model calculations are compared with the MARIE measurements of dose, dose-equivalent values, along with the available particle flux distribution. Model calculated particle flux includes GCR elemental composition of atomic number, Z = 1-28 and mass number, A = 1-58. Particle flux calculations specific for the current MARIE mapping period are reviewed and presented.

  1. Detailed opacity calculations for stellar models

    NASA Astrophysics Data System (ADS)

    Pain, Jean-Christophe; Gilleron, Franck

    2016-10-01

    We present a state of the art of precise spectral opacity calculations illustrated by stellar applications. The essential role of laboratory experiments to check the quality of the computed data is underlined. We review some X-ray and XUV laser and Z-pinch photo-absorption measurements as well as X-ray emission spectroscopy experiments of hot dense plasmas produced by ultra-high-intensity laser interaction. The measured spectra are systematically compared with the fine-structure opacity code SCO-RCG. Focus is put on iron, due to its crucial role in the understanding of asteroseismic observations of Beta Cephei-type and Slowly Pulsating B stars, as well as in the Sun. For instance, in Beta Cephei-type stars (which should not be confused with Cepheid variables), the iron-group opacity peak excites acoustic modes through the kappa-mechanism. A particular attention is paid to the higher-than-predicted iron opacity measured on Sandia's Z facility at solar interior conditions (boundary of the convective zone). We discuss some theoretical aspects such as orbital relaxation, electron collisional broadening, ionic Stark effect, oscillator-strength sum rules, photo-ionization, or the ``filling-the-gap'' effect of highly excited states.

  2. Shell model calculations of 109Sb in the sdgh shell

    NASA Astrophysics Data System (ADS)

    Dikmen, E.; Novoselsky, A.; Vallieres, M.

    2001-12-01

    The energy spectra of the antimony isotope 109Sb in the sdgh shell are calculated in the nuclear shell model approach by using the CD-Bonn nucleon-nucleon interaction. The modified Drexel University parallel shell model code (DUPSM) was used for the calculations with maximum Hamiltonian dimension of 762 253 of 5.14% sparsity. The energy levels are compared to the recent experimental results. The calculations were done on the Cyborg Parallel Cluster System at Drexel University.

  3. Noise calculation on the basis of vortex flow models

    NASA Technical Reports Server (NTRS)

    Hardin, J. C.

    1978-01-01

    Flow-modeling technique yields relatively simple method for calculating sound radiation involving planar, cylindrical, or spherical surfaces. Model employs potential flow theory with action of viscosity on flowfield described in terms of point vortices. Surface presence in flow is analyzed, using classical image method; sound is calculated through sound generation theory reformulation.

  4. Precipitates/Salts Model Calculations for Various Drift Temperature Environments

    SciTech Connect

    P. Marnier

    2001-12-20

    The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation within a repository drift. This work is developed and documented using procedure AP-3.12Q, Calculations, in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The primary objective of this calculation is to predict the effects of evaporation on the abstracted water compositions established in ''EBS Incoming Water and Gas Composition Abstraction Calculations for Different Drift Temperature Environments'' (BSC 2001c). A secondary objective is to predict evaporation effects on observed Yucca Mountain waters for subsequent cement interaction calculations (BSC 2001d). The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b).

  5. Method and models for R-curve instability calculations

    NASA Technical Reports Server (NTRS)

    Orange, Thomas W.

    1988-01-01

    This paper presents a simple method for performing elastic R-curve instability calculations. For a single material-structure combination, the calculations can be done on some pocket calculators. On microcomputers and larger, it permits the development of a comprehensive program having libraries of driving force equations for different configurations and R-curve model equations for different materials. The paper also presents several model equations for fitting to experimental R-curve data, both linear elastic and elastoplastic. The models are fit to data from the literature to demonstrate their viability.

  6. Method and models for R-curve instability calculations

    NASA Technical Reports Server (NTRS)

    Orange, Thomas W.

    1990-01-01

    This paper presents a simple method for performing elastic R-curve instability calculations. For a single material-structure combination, the calculations can be done on some pocket calculators. On microcomputers and larger, it permits the development of a comprehensive program having libraries of driving force equations for different configurations and R-curve model equations for different materials. The paper also presents several model equations for fitting to experimental R-curve data, both linear elastic and elastoplastic. The models are fit to data from the literature to demonstrate their viability.

  7. Exploration geophysics calculator programs for use on Hewlett-Packard models 67 and 97 programmable calculators

    USGS Publications Warehouse

    Campbell, David L.; Watts, Raymond D.

    1978-01-01

    Program listing, instructions, and example problems are given for 12 programs for the interpretation of geophysical data, for use on Hewlett-Packard models 67 and 97 programmable hand-held calculators. These are (1) gravity anomaly over 2D prism with = 9 vertices--Talwani method; (2) magnetic anomaly (?T, ?V, or ?H) over 2D prism with = 8 vertices?Talwani method; (3) total-field magnetic anomaly profile over thick sheet/thin dike; (4) single dipping seismic refractor--interpretation and design; (5) = 4 dipping seismic refractors--interpretation; (6) = 4 dipping seismic refractors?design; (7) vertical electrical sounding over = 10 horizontal layers--Schlumberger or Wenner forward calculation; (8) vertical electric sounding: Dar Zarrouk calculations; (9) magnetotelluric planewave apparent conductivity and phase angle over = 9 horizontal layers--forward calculation; (10) petrophysics: a.c. electrical parameters; (11) petrophysics: elastic constants; (12) digital convolution with = 10-1ength filter.

  8. Modeling and Calculator Tools for State and Local Transportation Resources

    EPA Pesticide Factsheets

    Air quality models, calculators, guidance and strategies are offered for estimating and projecting vehicle air pollution, including ozone or smog-forming pollutants, particulate matter and other emissions that pose public health and air quality concerns.

  9. Effective UV radiation from model calculations and measurements

    NASA Technical Reports Server (NTRS)

    Feister, Uwe; Grewe, Rolf

    1994-01-01

    Model calculations have been made to simulate the effect of atmospheric ozone and geographical as well as meteorological parameters on solar UV radiation reaching the ground. Total ozone values as measured by Dobson spectrophotometer and Brewer spectrometer as well as turbidity were used as input to the model calculation. The performance of the model was tested by spectroradiometric measurements of solar global UV radiation at Potsdam. There are small differences that can be explained by the uncertainty of the measurements, by the uncertainty of input data to the model and by the uncertainty of the radiative transfer algorithms of the model itself. Some effects of solar radiation to the biosphere and to air chemistry are discussed. Model calculations and spectroradiometric measurements can be used to study variations of the effective radiation in space in space time. The comparability of action spectra and their uncertainties are also addressed.

  10. Model calculations of spectral transmission for the CLAES etalons

    NASA Technical Reports Server (NTRS)

    James, T. C.; Roche, A. E.; Kumer, J. B.

    1989-01-01

    This paper describes models for calculating spectral transmission for the Cryogenic-Limb-Array-Etalon-Spectrometer (CLAES) etalons. These models involve a convolution of the Airy function for a given thickness with the distribution of surface thicknesses, the effect of absorption in the substrate, and the field of view broadening as a function of etalon tilt angle. A comparison of model calculations with experimental transmission data for CLAES etalons centered at 3.52, 5.72, 8.0, and 11.86 microns showed that these models are able to provide a good description of the CLAES etalons.

  11. The calculation model of the satellite solar panels infrared feature

    NASA Astrophysics Data System (ADS)

    Yang, Li; Lv, Xiang-yin; Jin, Wei; Yang, Hua; Zhao, Ji-jin

    2013-09-01

    The infrared radiation change of the solar panels is an obvious feature to tell whether they are working normally or not. In this paper, the calculation model of the satellite's solar panels infrared feature is established. First, combined with the parameter descriptions of the satellite's six orbital elements and with the use of the coordinate transformation method, the calculation formulas of the radiation flux that the solar panels get from the sun and the earth are derived, no matter which location of the satellite in orbit. Second, the calculation model of the solar panels' temperature field is established, and the equations are solved numerically with the boundary condition of radiation heat flux. Finally, the calculation models of the solar panels' infrared radiation in 3~5μm band and 8~14μm band are established, and the equations are solved numerically, thinking differently about their radiation and reflected radiation.

  12. Modeling Hardenable Stainless Steels Using Calculated Martensite Start Temperatures in Thermodynamic Equilibrium Calculations

    NASA Astrophysics Data System (ADS)

    Seifert, Merlin; Theisen, Werner

    2016-12-01

    In this work, martensite start temperatures of several martensitic stainless steels containing different amounts and types of carbides were calculated by means of thermodynamic equilibrium calculations. Two different equations were introduced into the Thermo-Calc® software. The calculations were performed for the respective compositions at austenitization temperature and compared to martensite start temperatures measured using a quenching dilatometer. The purpose was to estimate hardenability and hardness of newly developed steels. Even though the equations used were determined empirically for specific alloying systems, general trends for the investigated steels were found to be reproduced very well. Thus, the comparison of martensite start temperatures of different steels in comparable alloying systems is highly effective for modeling new steels and for predicting their hardenability.

  13. batman: BAsic Transit Model cAlculatioN in Python

    NASA Astrophysics Data System (ADS)

    Kreidberg, Laura

    2015-11-01

    I introduce batman, a Python package for modeling exoplanet transit light curves. The batman package supports calculation of light curves for any radially symmetric stellar limb darkening law, using a new integration algorithm for models that cannot be quickly calculated analytically. The code uses C extension modules to speed up model calculation and is parallelized with OpenMP. For a typical light curve with 100 data points in transit, batman can calculate one million quadratic limb-darkened models in 30 seconds with a single 1.7 GHz Intel Core i5 processor. The same calculation takes seven minutes using the four-parameter nonlinear limb darkening model (computed to 1 ppm accuracy). Maximum truncation error for integrated models is an input parameter that can be set as low as 0.001 ppm, ensuring that the community is prepared for the precise transit light curves we anticipate measuring with upcoming facilities. The batman package is open source and publicly available at https://github.com/lkreidberg/batman .

  14. Statistical Model Calculations for (n,γ) Reactions

    NASA Astrophysics Data System (ADS)

    Beard, Mary; Uberseder, Ethan; Wiescher, Michael

    2015-05-01

    Hauser-Feshbach (HF) cross sections are of enormous importance for a wide range of applications, from waste transmutation and nuclear technologies, to medical applications, and nuclear astrophysics. It is a well-observed result that different nuclear input models sensitively affect HF cross section calculations. Less well known however are the effects on calculations originating from model-specific implementation details (such as level density parameter, matching energy, back-shift and giant dipole parameters), as well as effects from non-model aspects, such as experimental data truncation and transmission function energy binning. To investigate the effects or these various aspects, Maxwellian-averaged neutron capture cross sections have been calculated for approximately 340 nuclei. The relative effects of these model details will be discussed.

  15. Neutron Capture Cross Section Calculations with the Statistical Model

    NASA Astrophysics Data System (ADS)

    Beard, Mary; Uberseder, Ethan; Wiescher, Michael

    2014-09-01

    Hauser-Feshbach (HF) cross sections are of enormous importance for a wide range of applications, from waste transmutation and nuclear technologies, to medical applications, and nuclear astrophysics. It is a well observed result that different nuclear input models sensitively affect HF cross section calculations. Less well-known however are the effects on calculations originating from model-specific implementation details (such as level density parameter, matching energy, backshift and giant dipole parameters), as well as effects from non-model aspects, such as experimental data truncation and transmission function energy binning. To investigate the effects or these various aspects, Maxwellian-averaged neutron capture cross sections have been calculated for approximately 340 nuclei. The relative effects of these model details will be discussed.

  16. Explicit solvent models in protein pKa calculations.

    PubMed

    Gibas, C J; Subramaniam, S

    1996-07-01

    Continuum methods for calculation of protein electrostatics treat buried and ordered water molecules by one of two approximations; either the dielectric constant of regions containing ordered water molecules is equal to the bulk solvent dielectric constant, or it is equal to the protein dielectric constant though no fixed atoms are used to represent water molecules. A method for calculating the titration behavior of individual residues in proteins has been tested on models of hen egg white lysozyme containing various numbers of explicit water molecules. Water molecules were included based on hydrogen bonding, solvent accessibility, and/or proximity to titrating groups in the protein. Inclusion of water molecules significantly alters the calculated titration behavior of individual titrating sites, shifting calculated pKa values by up to 0.5 pH unit. Our results suggest that approximately one water molecule within hydrogen-bonding distance of each charged group should be included in protein electrostatics calculations.

  17. Influence of Wake Models on Calculated Tiltrotor Aerodynamics

    NASA Technical Reports Server (NTRS)

    Johnson, Wayne

    2001-01-01

    The tiltrotor aircraft configuration has the potential to revolutionize air transportation by providing an economical combination of vertical take-off and landing capability with efficient, high-speed cruise flight. To achieve this potential it is necessary to have validated analytical tools that will support future tiltrotor aircraft development. These analytical tools must calculate tiltrotor aeromechanical behavior, including performance, structural loads, vibration, and aeroelastic stability, with an accuracy established by correlation with measured tiltrotor data. The recent test of the Tilt Rotor Aeroacoustic Model (TRAM) with a single,l/4-scale V-22 rotor in the German-Dutch Wind Tunnel (DNW) provides an extensive set of aeroacoustic, performance, and structural loads data. This paper will examine the influence of wake models on calculated tiltrotor aerodynamics, comparing calculations of performance and airloads with TRAM DNW measurements. The calculations will be performed using the comprehensive analysis CAMRAD II.

  18. Separated transonic airfoil flow calculations with a nonequilibrium turbulence model

    NASA Technical Reports Server (NTRS)

    King, L. S.; Johnson, D. A.

    1985-01-01

    Navier-Stokes transonic airfoil calculations based on a recently developed nonequilibrium, turbulence closure model are presented for a supercritical airfoil section at transonic cruise conditions and for a conventional airfoil section at shock-induced stall conditions. Comparisons with experimental data are presented which show that this nonequilibrium closure model performs significantly better than the popular Baldwin-Lomax and Cebeci-Smith equilibrium algebraic models when there is boundary-layer separation that results from the inviscid-viscous interactions.

  19. An Improved Radiative Transfer Model for Climate Calculations

    NASA Technical Reports Server (NTRS)

    Bergstrom, Robert W.; Mlawer, Eli J.; Sokolik, Irina N.; Clough, Shepard A.; Toon, Owen B.

    1998-01-01

    This paper presents a radiative transfer model that has been developed to accurately predict the atmospheric radiant flux in both the infrared and the solar spectrum with a minimum of computational effort. The model is designed to be included in numerical climate models To assess the accuracy of the model, the results are compared to other more detailed models for several standard cases in the solar and thermal spectrum. As the thermal spectrum has been treated in other publications, we focus here on the solar part of the spectrum. We perform several example calculations focussing on the question of absorption of solar radiation by gases and aerosols.

  20. Interactions of model biomolecules. Benchmark CC calculations within MOLCAS

    SciTech Connect

    Urban, Miroslav; Pitoňák, Michal; Neogrády, Pavel; Dedíková, Pavlína; Hobza, Pavel

    2015-01-22

    We present results using the OVOS approach (Optimized Virtual Orbitals Space) aimed at enhancing the effectiveness of the Coupled Cluster calculations. This approach allows to reduce the total computer time required for large-scale CCSD(T) calculations about ten times when the original full virtual space is reduced to about 50% of its original size without affecting the accuracy. The method is implemented in the MOLCAS computer program. When combined with the Cholesky decomposition of the two-electron integrals and suitable parallelization it allows calculations which were formerly prohibitively too demanding. We focused ourselves to accurate calculations of the hydrogen bonded and the stacking interactions of the model biomolecules. Interaction energies of the formaldehyde, formamide, benzene, and uracil dimers and the three-body contributions in the cytosine – guanine tetramer are presented. Other applications, as the electron affinity of the uracil affected by solvation are also shortly mentioned.

  1. Preliminary Modulus and Breakage Calculations on Cellulose Models

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The Young’s modulus of polymers can be calculated by stretching molecular models with the computer. The molecule is stretched and the derivative of the changes in stored potential energy for several displacements, divided by the molecular cross-section area, is the stress. The modulus is the slope o...

  2. Teaching Modelling Concepts: Enter the Pocket-Size Programmable Calculator.

    ERIC Educational Resources Information Center

    Gaar, Kermit A., Jr.

    1980-01-01

    Addresses the problem of the failure of students to see a physiological system in an integrated way. Programmable calculators armed with a printer are suggested as useful teaching devices that avoid the expense and the unavailability of computers for modelling in teaching physiology. (Author/SA)

  3. The role of hand calculations in ground water flow modeling.

    PubMed

    Haitjema, Henk

    2006-01-01

    Most ground water modeling courses focus on the use of computer models and pay little or no attention to traditional analytic solutions to ground water flow problems. This shift in education seems logical. Why waste time to learn about the method of images, or why study analytic solutions to one-dimensional or radial flow problems? Computer models solve much more realistic problems and offer sophisticated graphical output, such as contour plots of potentiometric levels and ground water path lines. However, analytic solutions to elementary ground water flow problems do have something to offer over computer models: insight. For instance, an analytic one-dimensional or radial flow solution, in terms of a mathematical expression, may reveal which parameters affect the success of calibrating a computer model and what to expect when changing parameter values. Similarly, solutions for periodic forcing of one-dimensional or radial flow systems have resulted in a simple decision criterion to assess whether or not transient flow modeling is needed. Basic water balance calculations may offer a useful check on computer-generated capture zones for wellhead protection or aquifer remediation. An easily calculated "characteristic leakage length" provides critical insight into surface water and ground water interactions and flow in multi-aquifer systems. The list goes on. Familiarity with elementary analytic solutions and the capability of performing some simple hand calculations can promote appropriate (computer) modeling techniques, avoids unnecessary complexity, improves reliability, and is likely to save time and money. Training in basic hand calculations should be an important part of the curriculum of ground water modeling courses.

  4. Ab initio calculations to support accurate modelling of the rovibronic spectroscopy calculations of vanadium monoxide (VO)

    NASA Astrophysics Data System (ADS)

    McKemmish, Laura K.; Yurchenko, Sergei N.; Tennyson, Jonathan

    2016-11-01

    Accurate knowledge of the rovibronic near-infrared and visible spectra of vanadium monoxide (VO) is very important for studies of cool stellar and hot planetary atmospheres. Here, the required ab initio dipole moment and spin-orbit coupling curves for VO are produced. This data forms the basis of a new VO line list considering 13 different electronic states and containing over 277 million transitions. Open shell transition, metal diatomics are challenging species to model through ab initio quantum mechanics due to the large number of low-lying electronic states, significant spin-orbit coupling and strong static and dynamic electron correlation. Multi-reference configuration interaction methodologies using orbitals from a complete active space self-consistent-field (CASSCF) calculation are the standard technique for these systems. We use different state-specific or minimal-state CASSCF orbitals for each electronic state to maximise the calculation accuracy. The off-diagonal dipole moment controls the intensity of electronic transitions. We test finite-field off-diagonal dipole moments, but found that (1) the accuracy of the excitation energies were not sufficient to allow accurate dipole moments to be evaluated and (2) computer time requirements for perpendicular transitions were prohibitive. The best off-diagonal dipole moments are calculated using wavefunctions with different CASSCF orbitals.

  5. Microscopic Shell Model Calculations for the Fluorine Isotopes

    NASA Astrophysics Data System (ADS)

    Barrett, Bruce R.; Dikmen, Erdal; Maris, Pieter; Vary, James P.; Shirokov, Andrey M.

    2015-10-01

    Using a formalism based on the No Core Shell Model (NCSM), we have determined miscroscopically the core and single-particle energies and the effective two-body interactions that are the input to standard shell model (SSM) calculations. The basic idea is to perform a succession of a Okubo-Lee-Suzuki (OLS) transformation, a NCSM calculation, and a second OLS transformation to a further reduced space, such as the sd-shell, which allows the separation of the many-body matrix elements into an ``inert'' core part plus a few valence-nucleons calculation. In the present investigation we use this technique to calculate the properties of the nuclides in the Fluorine isotopic chain, using the JISP16 nucleon-nucleon interaction. The obtained SSM input, along with the results of the SSM calculations for the Fluorine isotopes, will be presented. This work supported in part by TUBITAK-BIDEB, the US DOE, the US NSF, NERSC, and the Russian Ministry of Education and Science.

  6. Evaluating bifactor models: Calculating and interpreting statistical indices.

    PubMed

    Rodriguez, Anthony; Reise, Steven P; Haviland, Mark G

    2016-06-01

    Bifactor measurement models are increasingly being applied to personality and psychopathology measures (Reise, 2012). In this work, authors generally have emphasized model fit, and their typical conclusion is that a bifactor model provides a superior fit relative to alternative subordinate models. Often unexplored, however, are important statistical indices that can substantially improve the psychometric analysis of a measure. We provide a review of the particularly valuable statistical indices one can derive from bifactor models. They include omega reliability coefficients, factor determinacy, construct reliability, explained common variance, and percentage of uncontaminated correlations. We describe how these indices can be calculated and used to inform: (a) the quality of unit-weighted total and subscale score composites, as well as factor score estimates, and (b) the specification and quality of a measurement model in structural equation modeling. (PsycINFO Database Record

  7. Shell-model calculations of nuclei around mass 130

    NASA Astrophysics Data System (ADS)

    Teruya, E.; Yoshinaga, N.; Higashiyama, K.; Odahara, A.

    2015-09-01

    Shell-model calculations are performed for even-even, odd-mass, and doubly-odd nuclei of Sn, Sb, Te, I, Xe, Cs, and Ba isotopes around mass 130 using the single-particle space made up of valence nucleons occupying the 0 g7 /2 ,1 d5 /2 ,2 s1 /2 ,0 h11 /2 , and 1 d3 /2 orbitals. The calculated energies and electromagnetic transitions are compared with the experimental data. In addition, several typical isomers in this region are investigated.

  8. Noise calculation on the basis of vortex flow models

    NASA Technical Reports Server (NTRS)

    Hardin, J. C.

    1977-01-01

    A technique for noise calculation on the basis of vortex flow models is described. The 'reflection principle' is first extended to the whole class of potential flows which may be solved by the method of images. This allows the sound radiation to be computed solely through a volume integral over both the exterior and interior of any surfaces which may be present. The source distribution is then rewritten in terms of the vorticity within the flow which yields a highly computationally efficient formulation of the aeroacoustic theory. Several examples of such noise calculations are included.

  9. Calculations of multiquark functions in effective models of strong interaction

    SciTech Connect

    Jafarov, R. G.; Rochev, V. E.

    2013-09-15

    In this paper we present our results of the investigation of multiquark equations in the Nambu-Jona-Lasinio model with chiral symmetry of SU(2) group in the mean-field expansion. To formulate the mean-field expansion we have used an iteration scheme of solution of the Schwinger-Dyson equations with the fermion bilocal source. We have considered the equations for Green functions of the Nambu-Jona-Lasinio model up to third step for this iteration scheme. To calculate the high-order corrections to the mean-field approximation, we propose the method of the Legendre transformation with respect to the bilocal source, which allows effectively to take into account the symmetry constraints related with the chiral Ward identity. We discuss also the problem of calculating the multiquark functions in the mean-field expansion for Nambu-Jona-Lasinio-type models with other types of the multifermion sources.

  10. Feasibility of supersonic diode pumped alkali lasers: Model calculations

    SciTech Connect

    Barmashenko, B. D.; Rosenwaks, S.

    2013-04-08

    The feasibility of supersonic operation of diode pumped alkali lasers (DPALs) is studied for Cs and K atoms applying model calculations, based on a semi-analytical model previously used for studying static and subsonic flow DPALs. The operation of supersonic lasers is compared with that measured and modeled in subsonic lasers. The maximum power of supersonic Cs and K lasers is found to be higher than that of subsonic lasers with the same resonator and alkali density at the laser inlet by 25% and 70%, respectively. These results indicate that for scaling-up the power of DPALs, supersonic expansion should be considered.

  11. Revised method for calculating cloud densities in equilibrium models

    NASA Astrophysics Data System (ADS)

    Wong, M. H.; Atreya, S. K.; Kuhn, W. R.

    2013-12-01

    Models of cloud condensation under thermodynamic equilibrium in planetary atmospheres are simple but still useful for several reasons. They calculate the wet adiabatic lapse rate, they determine saturation-limited mixing ratios of condensing species, and they calculate the stabilizing effect of latent heat release and molecular weight stratification. Equilibrium cloud condensation models (ECCMs) also calculate a type of condensate density---a condensate "unit density"---that only equates to cloud density under specific circumstances, because microphysics and dynamics are not considered in ECCMs. Unit densities are calculated for every model altitude by requiring that condensed material remains at the level where it condenses. Many ECCMs in use trace their heritage to Weidenschilling and Lewis (1973; Icarus 20, 465--476; hereafter WL73), which contains an error that affects only the calculation of condensate unit density. The error led to densities too high by a factor of the atmospheric scale height divided by unit length, which is about 3x10^6 at Jupiter's ammonia cloud level. We will describe the condensate unit density calculation error in WL73, and provide a new algorithm based on the local change in vapor mixing ratio, rather than the difference between integrated column masses as in WL73. The new algorithm satisfies conservation of mass. Using a simple scaling law to parameterize dynamics in terms of updraft speed and duration, condensate unit densities from ECCMs can be converted to cloud densities. We validate the technique for the terrestrial case, by comparing model predictions with representative densities of cirrus and cumulus clouds. For cirrus and cumulus updraft parameters, respectively, we find cloud densities of 0.01--0.2 g m-3 and 0.8--7 g m-3, in excellent agreement with observations and models of terrestrial clouds of these types. Implications for models of planetary and exoplanetary atmospheres will be discussed. [This material is based upon

  12. [Calculating the intrinsic growth rate: comparison of definition and model].

    PubMed

    Voronov, D A

    2005-01-01

    It was shown that well known equation r = ln[N(t2)/N(t1)]/(t2 - t1) is the definition of the average value of intrinsic growth rate of population r within any given interval of time t2-t1 and changing arbitrarity its numbers N(t). The common opinion considering the equation as suitable only for exponentially growing population was found to be incorrect. The fundamentally different approach is based on the calculation of r within the framework of demographic model, realized as Euler - Lotka equation or population projection matrices. However this model requires simultaneous realization of several assumptions improbable for natural populations: exponential change in population size, stable age structure and maintaining constant age-dependent birth and death rates. The calculation of r by definition requires the data on the dynamics of population numbers, whereas calculation on the basis of the model requires the demographic tables of birth and death rate, but not the population numbers. With the example of American ginseng it was shown that evalution of r by definition and model approaches could produce opposite results.

  13. Optical model calculations of heavy-ion target fragmentation

    NASA Technical Reports Server (NTRS)

    Townsend, L. W.; Wilson, J. W.; Cucinotta, F. A.; Norbury, J. W.

    1986-01-01

    The fragmentation of target nuclei by relativistic protons and heavy ions is described within the context of a simple abrasion-ablation-final-state interaction model. Abrasion is described by a quantum mechanical formalism utilizing an optical model potential approximation. Nuclear charge distributions of the excited prefragments are calculated by both a hypergeometric distribution and a method based upon the zero-point oscillations of the giant dipole resonance. Excitation energies are estimated from the excess surface energy resulting from the abrasion process and the additional energy deposited by frictional spectator interactions of the abraded nucleons. The ablation probabilities are obtained from the EVA-3 computer program. Isotope production cross sections for the spallation of copper targets by relativistic protons and for the fragmenting of carbon targets by relativistic carbon, neon, and iron projectiles are calculated and compared with available experimental data.

  14. Microscopic Shell Model Calculations for sd-Shell Nuclei

    NASA Astrophysics Data System (ADS)

    Barrett, Bruce R.; Dikmen, Erdal; Maris, Pieter; Shirokov, Andrey M.; Smirnova, Nadya A.; Vary, James P.

    Several techniques now exist for performing detailed and accurate calculations of the structure of light nuclei, i.e., A ≤ 16. Going to heavier nuclei requires new techniques or extensions of old ones. One of these is the so-called No Core Shell Model (NCSM) with a Core approach, which involves an Okubo-Lee-Suzuki (OLS) transformation of a converged NCSM result into a single major shell, such as the sd-shell. The obtained effective two-body matrix elements can be separated into core and single-particle (s.p.) energies plus residual two-body interactions, which can be used for performing standard shell-model (SSM) calculations. As an example, an application of this procedure will be given for nuclei at the beginning ofthe sd-shell.

  15. ILNCSIM: improved lncRNA functional similarity calculation model.

    PubMed

    Huang, Yu-An; Chen, Xing; You, Zhu-Hong; Huang, De-Shuang; Chan, Keith C C

    2016-05-03

    Increasing observations have indicated that lncRNAs play a significant role in various critical biological processes and the development and progression of various human diseases. Constructing lncRNA functional similarity networks could benefit the development of computational models for inferring lncRNA functions and identifying lncRNA-disease associations. However, little effort has been devoted to quantifying lncRNA functional similarity. In this study, we developed an Improved LNCRNA functional SIMilarity calculation model (ILNCSIM) based on the assumption that lncRNAs with similar biological functions tend to be involved in similar diseases. The main improvement comes from the combination of the concept of information content and the hierarchical structure of disease directed acyclic graphs for disease similarity calculation. ILNCSIM was combined with the previously proposed model of Laplacian Regularized Least Squares for lncRNA-Disease Association to further evaluate its performance. As a result, new model obtained reliable performance in the leave-one-out cross validation (AUCs of 0.9316 and 0.9074 based on MNDR and Lnc2cancer databases, respectively), and 5-fold cross validation (AUCs of 0.9221 and 0.9033 for MNDR and Lnc2cancer databases), which significantly improved the prediction performance of previous models. It is anticipated that ILNCSIM could serve as an effective lncRNA function prediction model for future biomedical researches.

  16. ILNCSIM: improved lncRNA functional similarity calculation model

    PubMed Central

    You, Zhu-Hong; Huang, De-Shuang; Chan, Keith C.C.

    2016-01-01

    Increasing observations have indicated that lncRNAs play a significant role in various critical biological processes and the development and progression of various human diseases. Constructing lncRNA functional similarity networks could benefit the development of computational models for inferring lncRNA functions and identifying lncRNA-disease associations. However, little effort has been devoted to quantifying lncRNA functional similarity. In this study, we developed an Improved LNCRNA functional SIMilarity calculation model (ILNCSIM) based on the assumption that lncRNAs with similar biological functions tend to be involved in similar diseases. The main improvement comes from the combination of the concept of information content and the hierarchical structure of disease directed acyclic graphs for disease similarity calculation. ILNCSIM was combined with the previously proposed model of Laplacian Regularized Least Squares for lncRNA-Disease Association to further evaluate its performance. As a result, new model obtained reliable performance in the leave-one-out cross validation (AUCs of 0.9316 and 0.9074 based on MNDR and Lnc2cancer databases, respectively), and 5-fold cross validation (AUCs of 0.9221 and 0.9033 for MNDR and Lnc2cancer databases), which significantly improved the prediction performance of previous models. It is anticipated that ILNCSIM could serve as an effective lncRNA function prediction model for future biomedical researches. PMID:27028993

  17. Influence of saturation properties on shell-model calculations

    NASA Astrophysics Data System (ADS)

    Abzouzi, A.; Caurier, E.; Zuker, A. P.

    1991-03-01

    It is shown that the nuclear Hamiltonian scrH separates rigorously into a monopole field scrHm and a multipole part scrHm. scrHm is entirely responsible for saturation properties and can be treated phenomenologically with few parameters. When realistic interactions are used for scrHM in regions from the p shell to the N=82 isotones, shell-model calculations yield excellent spectroscopy and demand nuclear radii very close to the observed ones.

  18. Effect of molecular models on viscosity and thermal conductivity calculations

    NASA Astrophysics Data System (ADS)

    Weaver, Andrew B.; Alexeenko, Alina A.

    2014-12-01

    The effect of molecular models on viscosity and thermal conductivity calculations is investigated. The Direct Simulation Monte Carlo (DSMC) method for rarefied gas flows is used to simulate Couette and Fourier flows as a means of obtaining the transport coefficients. Experimental measurements for argon (Ar) provide a baseline for comparison over a wide temperature range of 100-1,500 K. The variable hard sphere (VHS), variable soft sphere (VSS), and Lennard-Jones (L-J) molecular models have been implemented into a parallel version of Bird's one-dimensional DSMC code, DSMC1, and the model parameters have been recalibrated to the current experimental data set. While the VHS and VSS models only consider the short-range, repulsive forces, the L-J model also includes constributions from the long-range, dispersion forces. Theoretical results for viscosity and thermal conductivity indicate the L-J model is more accurate than the VSS model; with maximum errors of 1.4% and 3.0% in the range 300-1,500 K for L-J and VSS models, respectively. The range of validity of the VSS model is extended to 1,650 K through appropriate choices for the model parameters.

  19. Calculating Free Energy Changes in Continuum Solvation Models

    SciTech Connect

    Ho, Junming; Ertem, Mehmed Z.

    2016-02-27

    We recently showed for a large dataset of pKas and reduction potentials that free energies calculated directly within the SMD continuum model compares very well with corresponding thermodynamic cycle calculations in both aqueous and organic solvents (Phys. Chem. Chem. Phys. 2015, 17, 2859). In this paper, we significantly expand the scope of our study to examine the suitability of this approach for the calculation of general solution phase kinetics and thermodynamics, in conjunction with several commonly used solvation models (SMDM062X, SMD-HF, CPCM-UAKS, and CPCM-UAHF) for a broad range of systems and reaction types. This includes cluster-continuum schemes for pKa calculations, as well as various neutral, radical and ionic reactions such as enolization, cycloaddition, hydrogen and chlorine atom transfer, and bimolecular SN2 and E2 reactions. On the basis of this benchmarking study, we conclude that the accuracies of both approaches are generally very similar – the mean errors for Gibbs free energy changes of neutral and ionic reactions are approximately 5 kJ mol-1 and 25 kJ mol-1 respectively. In systems where there are significant structural changes due to solvation, as is the case for certain ionic transition states and amino acids, the direct approach generally afford free energy changes that are in better agreement with experiment. The results indicate that when appropriate combinations of electronic structure methods are employed, the direct approach provides a reliable alternative to the thermodynamic cycle calculations of solution phase kinetics and thermodynamics across a broad range of organic reactions.

  20. Calculating Free Energy Changes in Continuum Solvation Models

    DOE PAGES

    Ho, Junming; Ertem, Mehmed Z.

    2016-02-27

    We recently showed for a large dataset of pKas and reduction potentials that free energies calculated directly within the SMD continuum model compares very well with corresponding thermodynamic cycle calculations in both aqueous and organic solvents (Phys. Chem. Chem. Phys. 2015, 17, 2859). In this paper, we significantly expand the scope of our study to examine the suitability of this approach for the calculation of general solution phase kinetics and thermodynamics, in conjunction with several commonly used solvation models (SMDM062X, SMD-HF, CPCM-UAKS, and CPCM-UAHF) for a broad range of systems and reaction types. This includes cluster-continuum schemes for pKa calculations,more » as well as various neutral, radical and ionic reactions such as enolization, cycloaddition, hydrogen and chlorine atom transfer, and bimolecular SN2 and E2 reactions. On the basis of this benchmarking study, we conclude that the accuracies of both approaches are generally very similar – the mean errors for Gibbs free energy changes of neutral and ionic reactions are approximately 5 kJ mol-1 and 25 kJ mol-1 respectively. In systems where there are significant structural changes due to solvation, as is the case for certain ionic transition states and amino acids, the direct approach generally afford free energy changes that are in better agreement with experiment. The results indicate that when appropriate combinations of electronic structure methods are employed, the direct approach provides a reliable alternative to the thermodynamic cycle calculations of solution phase kinetics and thermodynamics across a broad range of organic reactions.« less

  1. A PROPOSED BENCHMARK PROBLEM FOR SCATTER CALCULATIONS IN RADIOGRAPHIC MODELLING

    SciTech Connect

    Jaenisch, G.-R.; Bellon, C.; Schumm, A.; Tabary, J.; Duvauchelle, Ph.

    2009-03-03

    Code Validation is a permanent concern in computer modelling, and has been addressed repeatedly in eddy current and ultrasonic modeling. A good benchmark problem is sufficiently simple to be taken into account by various codes without strong requirements on geometry representation capabilities, focuses on few or even a single aspect of the problem at hand to facilitate interpretation and to avoid that compound errors compensate themselves, yields a quantitative result and is experimentally accessible. In this paper we attempt to address code validation for one aspect of radiographic modeling, the scattered radiation prediction. Many NDT applications can not neglect scattered radiation, and the scatter calculation thus is important to faithfully simulate the inspection situation. Our benchmark problem covers the wall thickness range of 10 to 50 mm for single wall inspections, with energies ranging from 100 to 500 keV in the first stage, and up to 1 MeV with wall thicknesses up to 70 mm in the extended stage. A simple plate geometry is sufficient for this purpose, and the scatter data is compared on a photon level, without a film model, which allows for comparisons with reference codes like MCNP. We compare results of three Monte Carlo codes (McRay, Sindbad and Moderato) as well as an analytical first order scattering code (VXI), and confront them to results obtained with MCNP. The comparison with an analytical scatter model provides insights into the application domain where this kind of approach can successfully replace Monte-Carlo calculations.

  2. Acoustic intensity calculations for axisymmetrically modeled fluid regions

    NASA Technical Reports Server (NTRS)

    Hambric, Stephen A.; Everstine, Gordon C.

    1992-01-01

    An algorithm for calculating acoustic intensities from a time harmonic pressure field in an axisymmetric fluid region is presented. Acoustic pressures are computed in a mesh of NASTRAN triangular finite elements of revolution (TRIAAX) using an analogy between the scalar wave equation and elasticity equations. Acoustic intensities are then calculated from pressures and pressure derivatives taken over the mesh of TRIAAX elements. Intensities are displayed as vectors indicating the directions and magnitudes of energy flow at all mesh points in the acoustic field. A prolate spheroidal shell is modeled with axisymmetric shell elements (CONEAX) and submerged in a fluid region of TRIAAX elements. The model is analyzed to illustrate the acoustic intensity method and the usefulness of energy flow paths in the understanding of the response of fluid-structure interaction problems. The structural-acoustic analogy used is summarized for completeness. This study uncovered a NASTRAN limitation involving numerical precision issues in the CONEAX stiffness calculation causing large errors in the system matrices for nearly cylindrical cones.

  3. Hydrothermal hydration of Martian crust: illustration via geochemical model calculations.

    PubMed

    Griffith, L L; Shock, E L

    1997-04-25

    If hydrothermal Systems existed on Mars, hydration of crustal rocks may have had the potential to affect the water budget of the planet. We have conducted geochemical model calculations to investigate the relative roles of host rock composition, temperature, water-to-rock ratio, and initial fluid oxygen fugacity on the mineralogy of hydrothermal alteration assemblages, as well as the effectiveness of alteration to store water in the crust as hydrous minerals. In order to place calculations for Mars in perspective, models of hydrothermal alteration of three genetically related Icelandic volcanics (a basalt, andesite, and rhyolite) are presented, together with results for compositions based on SNC meteorite samples (Shergotty and Chassigny). Temperatures from 150 degrees C to 250 degrees C, water-to-rock ratios from 0.1 to 1000, and two initial fluid oxygen fugacities are considered in the models. Model results for water-to-rock ratios less than 10 are emphasized because they are likely to be more applicable to Mars. In accord with studies of low-grade alteration of terrestrial rocks, we find that the major controls on hydrous mineral production are host rock composition and temperature. Over the range of conditions considered, the alteration of Shergotty shows the greatest potential for storing water as hydrous minerals, and the alteration of Icelandic rhyolite has the lowest potential.

  4. Hydrothermal hydration of Martian crust: illustration via geochemical model calculations

    NASA Technical Reports Server (NTRS)

    Griffith, L. L.; Shock, E. L.

    1997-01-01

    If hydrothermal Systems existed on Mars, hydration of crustal rocks may have had the potential to affect the water budget of the planet. We have conducted geochemical model calculations to investigate the relative roles of host rock composition, temperature, water-to-rock ratio, and initial fluid oxygen fugacity on the mineralogy of hydrothermal alteration assemblages, as well as the effectiveness of alteration to store water in the crust as hydrous minerals. In order to place calculations for Mars in perspective, models of hydrothermal alteration of three genetically related Icelandic volcanics (a basalt, andesite, and rhyolite) are presented, together with results for compositions based on SNC meteorite samples (Shergotty and Chassigny). Temperatures from 150 degrees C to 250 degrees C, water-to-rock ratios from 0.1 to 1000, and two initial fluid oxygen fugacities are considered in the models. Model results for water-to-rock ratios less than 10 are emphasized because they are likely to be more applicable to Mars. In accord with studies of low-grade alteration of terrestrial rocks, we find that the major controls on hydrous mineral production are host rock composition and temperature. Over the range of conditions considered, the alteration of Shergotty shows the greatest potential for storing water as hydrous minerals, and the alteration of Icelandic rhyolite has the lowest potential.

  5. A simple model of throughput calculation for single screw

    NASA Astrophysics Data System (ADS)

    Béreaux, Yves; Charmeau, Jean-Yves; Moguedet, Maël

    2007-04-01

    To be able to predict the throughput of a single-screw extruder or the metering time of an injection moulding machine for a given screw geometry, set of processing conditions and polymeric material is important both for practical and designing purposes. Our simple model show that the screw geometry is the most important parameter, followed by polymer rheology and processing conditions. Melting properties and length seem to intervene to a lesser extent. The calculations hinges on the idea of viewing the entire screw as a pump, conveying a solid and a molten fraction. The evolution of the solid fraction is the essence of the plastication process, but under particular circumstances, its influence on the throughput is nil. This allows us to get a very good estimate on the throughput and pressure development along the screw. Our calculations are compared to different sets of experiments available from the literature. We have consistent agreement both in throughput and pressure with published data.

  6. 2HDMC — two-Higgs-doublet model calculator

    NASA Astrophysics Data System (ADS)

    Eriksson, David; Rathsman, Johan; Stål, Oscar

    2010-04-01

    We describe version 1.0.6 of the public C++ code 2HDMC, which can be used to perform calculations in a general, CP-conserving, two-Higgs-doublet model (2HDM). The program features simple conversion between different parametrizations of the 2HDM potential, a flexible Yukawa sector specification with choices of different Z-symmetries or more general couplings, a decay library including all two-body — and some three-body — decay modes for the Higgs bosons, and the possibility to calculate observables of interest for constraining the 2HDM parameter space, as well as theoretical constraints from positivity and unitarity. The latest version of the 2HDMC code and full documentation is available from: http://www.isv.uu.se/thep/MC/2HDMC. New version program summaryProgram title: 2HDMC Catalogue identifier: AEFI_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFI_v1_1.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU GPL No. of lines in distributed program, including test data, etc.: 12 110 No. of bytes in distributed program, including test data, etc.: 92 731 Distribution format: tar.gz Programming language: C++ Computer: Any computer running Linux Operating system: Linux RAM: 5 Mb Catalogue identifier of previous version: AEFI_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2010) 189 Classification: 11.1 External routines: GNU Scientific Library ( http://www.gnu.org/software/gsl/) Does the new version supersede the previous version?: Yes Nature of problem: Determining properties of the potential, calculation of mass spectrum, couplings, decay widths, oblique parameters, muon g-2, and collider constraints in a general two-Higgs-doublet model. Solution method: From arbitrary potential and Yukawa sector, tree-level relations are used to determine Higgs masses and couplings. Decay widths are calculated at leading order, including FCNC decays when applicable. Decays to off

  7. Accurate pressure gradient calculations in hydrostatic atmospheric models

    NASA Technical Reports Server (NTRS)

    Carroll, John J.; Mendez-Nunez, Luis R.; Tanrikulu, Saffet

    1987-01-01

    A method for the accurate calculation of the horizontal pressure gradient acceleration in hydrostatic atmospheric models is presented which is especially useful in situations where the isothermal surfaces are not parallel to the vertical coordinate surfaces. The present method is shown to be exact if the potential temperature lapse rate is constant between the vertical pressure integration limits. The technique is applied to both the integration of the hydrostatic equation and the computation of the slope correction term in the horizontal pressure gradient. A fixed vertical grid and a dynamic grid defined by the significant levels in the vertical temperature distribution are employed.

  8. Aerosol activation: parameterised versus explicit calculation for global models

    NASA Astrophysics Data System (ADS)

    Tost, H.; Pringle, K.; Metzger, S.; Lelieveld, J.

    2009-04-01

    A key process in studies of the aerosol indirect effects on clouds is the activation of particles into droplets at 100% relative humidity. To model this process in cloud, meteorological and climate models is a difficult undertaking because of the wide range of scales involved. The chemical composition of the atmospheric aerosol, originating from both air pollution and natural sources, substantially impacts the aerosol water uptake and growth due to its hygroscopicity. In this study a comparison of aerosol activation, using state-of-the-art aerosol activation parameterisations, and explicit activation due to hygroscopic growth is performed.For that purpose we apply the GMXe aerosol model - treating both dynamic and thermodynamic aerosol properties - within the EMAC (ECHAM5/MESSy Atmospheric chemistry, an atmospheric chemistry general circulation) model. This new aerosol model can explicitely calculate the water uptake of aerosols due to hygroscopicity, allowing the growth of aerosol particles into the regimes of cloud droplets in case of sufficient water vapour availability. Global model simulations using both activation schemes will be presented and compared, elucidating the advantages of each approach.

  9. Absorbed Dose and Dose Equivalent Calculations for Modeling Effective Dose

    NASA Technical Reports Server (NTRS)

    Welton, Andrew; Lee, Kerry

    2010-01-01

    While in orbit, Astronauts are exposed to a much higher dose of ionizing radiation than when on the ground. It is important to model how shielding designs on spacecraft reduce radiation effective dose pre-flight, and determine whether or not a danger to humans is presented. However, in order to calculate effective dose, dose equivalent calculations are needed. Dose equivalent takes into account an absorbed dose of radiation and the biological effectiveness of ionizing radiation. This is important in preventing long-term, stochastic radiation effects in humans spending time in space. Monte carlo simulations run with the particle transport code FLUKA, give absorbed and equivalent dose data for relevant shielding. The shielding geometry used in the dose calculations is a layered slab design, consisting of aluminum, polyethylene, and water. Water is used to simulate the soft tissues that compose the human body. The results obtained will provide information on how the shielding performs with many thicknesses of each material in the slab. This allows them to be directly applicable to modern spacecraft shielding geometries.

  10. Folding model calculations for 6He+12C elastic scattering

    NASA Astrophysics Data System (ADS)

    Awad, A. Ibraheem

    2016-03-01

    In the framework of the double folding model, we used the α+2n and di-triton configurations for the nuclear matter density of the 6He nucleus to generate the real part of the optical potential for the system 6He+12C. As an alternative, we also use the high energy approximation to generate the optical potential for the same system. The derived potentials are employed to analyze the elastic scattering differential cross section at energies of 38.3, 41.6 and 82.3 MeV/u. For the imaginary part of the potential we adopt the squared Woods-Saxon form. The obtained results are compared with the corresponding measured data as well as with available results in the literature. The calculated total reaction cross sections are investigated and compared with the optical limit Glauber model description.

  11. Model calculations of the dayside ionosphere of Venus - Energetics

    NASA Technical Reports Server (NTRS)

    Cravens, T. E.; Gombosi, T. I.; Kozyra, J.; Nagy, A. F.; Brace, L. H.; Knudsen, W. C.

    1980-01-01

    A model of the energy balance of the dayside ionosphere of Venus is presented. Calculations of the dayside electron and ion temperature profiles are carried out and compared with data from experiments on the Pioneer Venus orbiter. The coupled heat conduction equations for electrons and ions are solved for several values of the solar zenith angle. It is shown that thermal conductivities are inhibited by the presence of a horizontal magnetic field. A realistic model of the magnetic field that includes fluctuations is employed in deriving an appropriate expression for the thermal conductivity. The contributions of photoelectrons, ion chemistry, Joule heating, and solar wind heating to the energy balance of the ionosphere are considered.

  12. Calculations of hot gas ingestion for a STOVL aircraft model

    NASA Technical Reports Server (NTRS)

    Fricker, David M.; Holdeman, James D.; Vanka, Surya P.

    1992-01-01

    Hot gas ingestion problems for Short Take-Off, Vertical Landing (STOVL) aircraft are typically approached with empirical methods and experience. In this study, the hot gas environment around a STOVL aircraft was modeled as multiple jets in crossflow with inlet suction. The flow field was calculated with a Navier-Stokes, Reynolds-averaged, turbulent, 3D computational fluid dynamics code using a multigrid technique. A simple model of a STOVL aircraft with four choked jets at 1000 K was studied at various heights, headwind speeds, and thrust splay angles in a modest parametric study. Scientific visualization of the computed flow field shows a pair of vortices in front of the inlet. This and other qualitative aspects of the flow field agree well with experimental data.

  13. Plasmon-pole models affect band gaps in GW calculations

    NASA Astrophysics Data System (ADS)

    Larson, Paul; Wu, Zhigang

    2013-03-01

    Density functional theory calculations have long been known to underestimate the band gaps in semiconductors. Significant improvements have been made by using GW calculations that uses the self energy, defined as the product of the Green function (G) and screened Coulomb exchange (W). However, many approximations are made in the GW method, specifically the plasmon-pole approximation. This approximation replaces the integration necessary to produce W with a simple approximation to the inverse dielectric function. Four different plasmon-pole approximations have been tested using the tight-binding program ABINIT: Godby-Needs, Hybertsen-Louie, von der Linden-Horsch, and Engel-Farid. For many materials, the differences in the GW band gaps for the different plasmon-pole models are negligible, but for systems with localized electrons, the difference can be larger than 1 eV. The plasmon-pole approximation is generally chosen to best agree with experimental data, but this is misleading in that this ignores all of the other approximations used in the GW method. Improvements in plasmon-pole models in GW can only come about by trying to reproduce the results of the numerical integration rather than trying to reproduce experimental results.

  14. Nonlinear damping calculation in cylindrical gear dynamic modeling

    NASA Astrophysics Data System (ADS)

    Guilbault, Raynald; Lalonde, Sébastien; Thomas, Marc

    2012-04-01

    The nonlinear dynamic problem posed by cylindrical gear systems has been extensively covered in the literature. Nonetheless, a significant proportion of the mechanisms involved in damping generation remains to be investigated and described. The main objective of this study is to contribute to this task. Overall, damping is assumed to consist of three sources: surrounding element contribution, hysteresis of the teeth, and oil squeeze damping. The first two contributions are considered to be commensurate with the supported load; for its part however, squeeze damping is formulated using expressions developed from the Reynolds equation. A lubricated impact analysis between the teeth is introduced in this study for the minimum film thickness calculation during contact losses. The dynamic transmission error (DTE) obtained from the final model showed close agreement with experimental measurements available in the literature. The nonlinear damping ratio calculated at different mesh frequencies and torque amplitudes presented average values between 5.3 percent and 8 percent, which is comparable to the constant 8 percent ratio used in published numerical simulations of an equivalent gear pair. A close analysis of the oil squeeze damping evidenced the inverse relationship between this damping effect and the applied load.

  15. Assessment of Some Atomization Models Used in Spray Calculations

    NASA Technical Reports Server (NTRS)

    Raju, M. S.; Bulzin, Dan

    2011-01-01

    The paper presents the results from a validation study undertaken as a part of the NASA s fundamental aeronautics initiative on high altitude emissions in order to assess the accuracy of several atomization models used in both non-superheat and superheat spray calculations. As a part of this investigation we have undertaken the validation based on four different cases to investigate the spray characteristics of (1) a flashing jet generated by the sudden release of pressurized R134A from cylindrical nozzle, (2) a liquid jet atomizing in a subsonic cross flow, (3) a Parker-Hannifin pressure swirl atomizer, and (4) a single-element Lean Direct Injector (LDI) combustor experiment. These cases were chosen because of their importance in some aerospace applications. The validation is based on some 3D and axisymmetric calculations involving both reacting and non-reacting sprays. In general, the predicted results provide reasonable agreement for both mean droplet sizes (D32) and average droplet velocities but mostly underestimate the droplets sizes in the inner radial region of a cylindrical jet.

  16. Quantum plasmonics: from jellium models to ab initio calculations

    NASA Astrophysics Data System (ADS)

    Varas, Alejandro; García-González, Pablo; Feist, Johannes; García-Vidal, F. J.; Rubio, Angel

    2016-08-01

    Light-matter interaction in plasmonic nanostructures is often treated within the realm of classical optics. However, recent experimental findings show the need to go beyond the classical models to explain and predict the plasmonic response at the nanoscale. A prototypical system is a nanoparticle dimer, extensively studied using both classical and quantum prescriptions. However, only very recently, fully ab initio time-dependent density functional theory (TDDFT) calculations of the optical response of these dimers have been carried out. Here, we review the recent work on the impact of the atomic structure on the optical properties of such systems. We show that TDDFT can be an invaluable tool to simulate the time evolution of plasmonic modes, providing fundamental understanding into the underlying microscopical mechanisms.

  17. The EOSTA model for opacities and EOS calculations

    NASA Astrophysics Data System (ADS)

    Barshalom, Avraham; Oreg, Joseph

    2007-11-01

    The EOSTA model developed recently combines the STA and INFERNO models to calculate opacities and EOS on the same footing. The quantum treatment of the plasma continuum and the inclusion of the resulted shape resonances yield a smooth behavior of the EOS and opacity global quantities vs density and temperature. We will describe the combined model and focus on its latest improvements. In particular we have extended the use of the special representation of the relativistic virial theorem to obtain an exact differential equation for the free energy. This equation, combined with a boundary condition at the zero pressure point, serves to advance the LDA EOS results significantly. The method focuses on applicability to high temperature and high density plasmas, warm dens matter etc. but applies at low temperatures as well treating fluids and even solids. Excellent agreement is obtained with experiments covering a wide range of density and temperature. The code is now used to create EOS and opacity databases for the use of hydro-dynamical simulations.

  18. Ultrasonic energy in liposome production: process modelling and size calculation.

    PubMed

    Barba, A A; Bochicchio, S; Lamberti, G; Dalmoro, A

    2014-04-21

    The use of liposomes in several fields of biotechnology, as well as in pharmaceutical and food sciences is continuously increasing. Liposomes can be used as carriers for drugs and other active molecules. Among other characteristics, one of the main features relevant to their target applications is the liposome size. The size of liposomes, which is determined during the production process, decreases due to the addition of energy. The energy is used to break the lipid bilayer into smaller pieces, then these pieces close themselves in spherical structures. In this work, the mechanisms of rupture of the lipid bilayer and the formation of spheres were modelled, accounting for how the energy, supplied by ultrasonic radiation, is stored within the layers, as the elastic energy due to the curvature and as the tension energy due to the edge, and to account for the kinetics of the bending phenomenon. An algorithm to solve the model equations was designed and the relative calculation code was written. A dedicated preparation protocol, which involves active periods during which the energy is supplied and passive periods during which the energy supply is set to zero, was defined and applied. The model predictions compare well with the experimental results, by using the energy supply rate and the time constant as fitting parameters. Working with liposomes of different sizes as the starting point of the experiments, the key parameter is the ratio between the energy supply rate and the initial surface area.

  19. Full waveform modelling and misfit calculation using the VERCE platform

    NASA Astrophysics Data System (ADS)

    Garth, Thomas; Spinuso, Alessandro; Casarotti, Emanuele; Magnoni, Federica; Krischner, Lion; Igel, Heiner; Schwichtenberg, Horst; Frank, Anton; Vilotte, Jean-Pierre; Rietbrock, Andreas

    2016-04-01

    simulated and recorded waveforms, enabling seismologists to specify and steer their misfit analyses using existing python tools and libraries such as Pyflex and the dispel4py data-intensive processing library. All these processes, including simulation, data access, pre-processing and misfit calculation, are presented to the users of the gateway as dedicated and interactive workspaces. The VERCE platform can also be used to produce animations of seismic wave propagation through the velocity model, and synthetic shake maps. We demonstrate the functionality of the VERCE platform with two case studies, using the pre-loaded velocity model and mesh for Chile and Northern Italy. It is envisioned that this tool will allow a much greater range of seismologists to access these full waveform inversion tools, and aid full waveform tomographic and source inversion, synthetic shake map production and other full waveform applications, in a wide range of tectonic settings.

  20. MCNPX Cosmic Ray Shielding Calculations with the NORMAN Phantom Model

    NASA Technical Reports Server (NTRS)

    James, Michael R.; Durkee, Joe W.; McKinney, Gregg; Singleterry Robert

    2008-01-01

    The United States is planning manned lunar and interplanetary missions in the coming years. Shielding from cosmic rays is a critical aspect of manned spaceflight. These ventures will present exposure issues involving the interplanetary Galactic Cosmic Ray (GCR) environment. GCRs are comprised primarily of protons (approx.84.5%) and alpha-particles (approx.14.7%), while the remainder is comprised of massive, highly energetic nuclei. The National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) has commissioned a joint study with Los Alamos National Laboratory (LANL) to investigate the interaction of the GCR environment with humans using high-fidelity, state-of-the-art computer simulations. The simulations involve shielding and dose calculations in order to assess radiation effects in various organs. The simulations are being conducted using high-resolution voxel-phantom models and the MCNPX[1] Monte Carlo radiation-transport code. Recent advances in MCNPX physics packages now enable simulated transport over 2200 types of ions of widely varying energies in large, intricate geometries. We report here initial results obtained using a GCR spectrum and a NORMAN[3] phantom.

  1. Coarse grained model for calculating the ion mobility of hydrocarbons

    NASA Astrophysics Data System (ADS)

    Kuroboshi, Y.; Takemura, K.

    2016-12-01

    Hydrocarbons are widely used as insulating compounds. However, their fundamental characteristics in conduction phenomena are not completely understood. A great deal of effort is required to determine reasonable ionic behavior from experiments because of their complicated procedures and tight controls of the temperature and the purity of the liquids. In order to understand the conduction phenomena, we have theoretically calculated the ion mobilities of hydrocarbons and investigated their characteristics using the coarse grained model in molecular dynamics simulations. We assumed a molecule of hydrocarbons to be a bead and simulated its dependence on the viscosity, electric field, and temperature. Furthermore, we verified the suitability of the conformation, scale size, and long-range interactions for the ion mobility. The results of the simulations show that the ion mobility values agree reasonably well with the values from Walden's rule and depend on the viscosity but not on the electric field. The ion mobility and self-diffusion coefficient exponentially increase with increasing temperature, while the activation energy decreases with increasing molecular size. These values and characteristics of the ion mobility are in reasonable agreement with experimental results. In the future, we can understand not only the ion mobilies of hydrocarbons in conduction, but also we can predict general phenomena in electrochemistry with molecular dynamics simulations.

  2. Effective Inflow Conditions for Turbulence Models in Aerodynamic Calculations

    NASA Technical Reports Server (NTRS)

    Spalart, Philippe R.; Rumsey, Christopher L.

    2007-01-01

    The selection of inflow values at boundaries far upstream of an aircraft is considered, for one- and two-equation turbulence models. Inflow values are distinguished from the ambient values near the aircraft, which may be much smaller. Ambient values should be selected first, and inflow values that will lead to them after the decay second; this is not always possible, especially for the time scale. The two-equation decay during the approach to the aircraft is shown; often, the time scale has been set too short for this decay to be calculated accurately on typical grids. A simple remedy for both issues is to impose floor values for the turbulence variables, outside the viscous sublayer, and it is argued that overriding the equations in this manner is physically justified. Selecting laminar ambient values is easy, if the boundary layers are to be tripped, but a more common practice is to seek ambient values that will cause immediate transition in boundary layers. This opens up a wide range of values, and selection criteria are discussed. The turbulent Reynolds number, or ratio of eddy viscosity to laminar viscosity has a huge dynamic range that makes it unwieldy; it has been widely mis-used, particularly by codes that set upper limits on it. The value of turbulent kinetic energy in a wind tunnel or the atmosphere is also of dubious value as an input to the model. Concretely, the ambient eddy viscosity must be small enough to preserve potential cores in small geometry features, such as flap gaps. The ambient frequency scale should also be small enough, compared with shear rates in the boundary layer. Specific values are recommended and demonstrated for airfoil flows

  3. Finite jellium models. I. Restricted Hartree-Fock calculations.

    PubMed

    Ghosh, Sankha; Gill, Peter M W

    2005-04-15

    Restricted Hartree-Fock calculations have been performed on the Fermi configurations of n electrons confined within a cube. The self-consistent-field orbitals have been expanded in a basis of N particle-in-a-box wave functions. The difficult one- and two-electron integrals have been reduced to a small set of canonical integrals that are calculated accurately using quadrature. The total energy and exchange energy per particle converge smoothly toward their limiting values as n increases; the highest occupied molecular orbital-lowest unoccupied molecular orbital gap and Dirac coefficient converge erratically. However, the convergence in all cases is slow.

  4. Carbon dioxide fluid-flow modeling and injectivity calculations

    USGS Publications Warehouse

    Burke, Lauri

    2011-01-01

    These results were used to classify subsurface formations into three permeability classifications for the probabilistic calculations of storage efficiency and containment risk of the U.S. Geological Survey geologic carbon sequestration assessment methodology. This methodology is currently in use to determine the total carbon dioxide containment capacity of the onshore and State waters areas of the United States.

  5. National Stormwater Calculator - Version 1.1 (Model)

    EPA Science Inventory

    EPA’s National Stormwater Calculator (SWC) is a desktop application that estimates the annual amount of rainwater and frequency of runoff from a specific site anywhere in the United States (including Puerto Rico). The SWC estimates runoff at a site based on available information ...

  6. A New Charge Model in The Valence Force Field Model for Phonon Calculations

    NASA Astrophysics Data System (ADS)

    Barrett, Christopher; Wang, Lin-Wang

    2013-03-01

    The classical ball and spring Valence Force Field model is useful to determine the elastic relaxation of thousand-atom nanosystems. We have also used it to calculate the phonon spectra of nanosystems. However, we found that the conventional point charge model in the Valence Force Field model can cause artificial instability in nanostructures. In this talk, we will present a new charge model which represents the electron cloud feature of the Born charge in a real crystal. More specifically, we have two opposite-signed point charges assigned to each atom, one at its real position, another at a position determined by its neighbor atoms. This innovation allows both electrostatic charges and Born charges to be accurately represented while retaining extreme efficiency. This customized VFF method is developed to be fittable to the results of density functional theory (DFT) calculation. We will present the results of CdSe bulk, surface, and nanowire calculations and compare them with the equivalent ab-initio calculations, for both in their accuracies and their costs. This work is supported by U.S. Department of Energy BES, Office of Science, under Contract No. DE-AC02-05CH11231.

  7. Spill Assessment Model (SAM) Procedure for Manual Field Calculations.

    DTIC Science & Technology

    1980-04-01

    SPECIFICALLY, THE PART OF SAM UTILIZED AS THE BASIS FOR THE FIELD CALCULATIONS ADDRESSES ONLY INSTANTANEOUS POINT SOURCE DISCHARGES INTO A FLOWING RIVER. FOR...instantaneous point source discharges into a flowing river. For field use, the primary requirement is to assess the maximum concentrations which may result...different classes of chemicals, reference sources such as the Chemical Hazard Response Information ,’stem (CHRIS) of the U.S. Coast Guard should be

  8. Thermochemical data for CVD modeling from ab initio calculations

    SciTech Connect

    Ho, P.; Melius, C.F.

    1993-12-31

    Ab initio electronic-structure calculations are combined with empirical bond-additivity corrections to yield thermochemical properties of gas-phase molecules. A self-consistent set of heats of formation for molecules in the Si-H, Si-H-Cl, Si-H-F, Si-N-H and Si-N-H-F systems is presented, along with preliminary values for some Si-O-C-H species.

  9. Calculation of the Aerodynamic Behavior of the Tilt Rotor Aeroacoustic Model (TRAM) in the DNW

    NASA Technical Reports Server (NTRS)

    Johnson, Wayne

    2001-01-01

    Comparisons of measured and calculated aerodynamic behavior of a tiltrotor model are presented. The test of the Tilt Rotor Aeroacoustic Model (TRAM) with a single, 1/4-scale V- 22 rotor in the German-Dutch Wind Tunnel (DNW) provides an extensive set of aeroacoustic, performance, and structural loads data. The calculations were performed using the rotorcraft comprehensive analysis CAMRAD II. Presented are comparisons of measured and calculated performance and airloads for helicopter mode operation, as well as calculated induced and profile power. An aerodynamic and wake model and calculation procedure that reflects the unique geometry and phenomena of tiltrotors has been developed. There are major differences between this model and the corresponding aerodynamic and wake model that has been established for helicopter rotors. In general, good correlation between measured and calculated performance and airloads behavior has been shown. Two aspects of the analysis that clearly need improvement are the stall delay model and the trailed vortex formation model.

  10. A stirling engine computer model for performance calculations

    NASA Technical Reports Server (NTRS)

    Tew, R.; Jefferies, K.; Miao, D.

    1978-01-01

    To support the development of the Stirling engine as a possible alternative to the automobile spark-ignition engine, the thermodynamic characteristics of the Stirling engine were analyzed and modeled on a computer. The modeling techniques used are presented. The performance of an existing rhombic-drive Stirling engine was simulated by use of this computer program, and some typical results are presented. Engine tests are planned in order to evaluate this model.

  11. An assessment of artificial damping models for aeroacoustic calculations

    NASA Technical Reports Server (NTRS)

    Hayder, M. Ehtesham

    1995-01-01

    We present a study of the effect of artificial dissipation models on nonlinear wave computations using a few high order schemes. Our motivation is to assess the effectiveness of artificial dissipation models for their suitability for aeroacoustic computations. We solve three model problems in one dimension using the Euler equations. Initial conditions are chosen to generate nonlinear waves in the computational domain. We examine various dissipation models in central difference schemes such as the Dispersion Relation Preserving (DRP) scheme and the standard fourth and sixth order schemes. We also make a similar study with the fourth order MacCormack scheme due to Gottieb and Turkel.

  12. The uncertainty in ozone calculations by a stratospheric photochemistry model

    NASA Technical Reports Server (NTRS)

    Butler, D. M.

    1978-01-01

    At present, there is an apparent conflict between one-dimensional stratospheric photochemistry models used in predicting ozone depletion and average data for stratospheric ozone. This conflict is in three particulars - column density of O3 and ozone density in the regions around 30 km and 50 km altitude. A study of the sensitivity of one such model to the values of reaction rates, boundary conditions, solar intensities, photolysis cross sections, and O(1D) yield parameters reveals that even at the 2-sigma uncertainty limit due to these input parameters, the model does not overlap the data for O3 density at 30 km and 50 km. The data is outside the 1-sigma model uncertainty limit for O3 column density. The study also shows the relative contribution of the various parameters studied to the imprecision in these model results.

  13. Analysis and calculation of macrosegregation in a casting ingot. MPS solidification model. Volume 3: Operating manual

    NASA Technical Reports Server (NTRS)

    Maples, A. L.

    1980-01-01

    The operation of solidification model 1 is described. Model 1 calculates the macrosegregation in a rectangular ingot of a binary alloy as a result of horizontal axisymmetric bidirectional solidification. The calculation is restricted to steady-state solidification; there is no variation in final local average composition in the direction of isotherm movement. The physics of the model are given.

  14. Mathematical model partitioning and packing for parallel computer calculation

    NASA Technical Reports Server (NTRS)

    Arpasi, Dale J.; Milner, Edward J.

    1986-01-01

    This paper deals with the development of multiprocessor simulations from a serial set of ordinary differential equations describing a physical system. The identification of computational parallelism within the model equations is discussed. A technique is presented for identifying this parallelism and for partitioning the equations for parallel solution on a multiprocessor. Next, an algorithm which packs the equations into a minimum number of processors is described. The results of applying the packing algorithm to a turboshaft engine model are presented.

  15. A simple model for calculating air pollution within street canyons

    NASA Astrophysics Data System (ADS)

    Venegas, Laura E.; Mazzeo, Nicolás A.; Dezzutti, Mariana C.

    2014-04-01

    This paper introduces the Semi-Empirical Urban Street (SEUS) model. SEUS is a simple mathematical model based on the scaling of air pollution concentration inside street canyons employing the emission rate, the width of the canyon, the dispersive velocity scale and the background concentration. Dispersive velocity scale depends on turbulent motions related to wind and traffic. The parameterisations of these turbulent motions include two dimensionless empirical parameters. Functional forms of these parameters have been obtained from full scale data measured in street canyons at four European cities. The sensitivity of SEUS model is studied analytically. Results show that relative errors in the evaluation of the two dimensionless empirical parameters have less influence on model uncertainties than uncertainties in other input variables. The model estimates NO2 concentrations using a simple photochemistry scheme. SEUS is applied to estimate NOx and NO2 hourly concentrations in an irregular and busy street canyon in the city of Buenos Aires. The statistical evaluation of results shows that there is a good agreement between estimated and observed hourly concentrations (e.g. fractional bias are -10.3% for NOx and +7.8% for NO2). The agreement between the estimated and observed values has also been analysed in terms of its dependence on wind speed and direction. The model shows a better performance for wind speeds >2 m s-1 than for lower wind speeds and for leeward situations than for others. No significant discrepancies have been found between the results of the proposed model and that of a widely used operational dispersion model (OSPM), both using the same input information.

  16. Improved Dielectric Solvation Model for Electronic Structure Calculations

    SciTech Connect

    Chipman, Daniel M.

    2015-12-16

    This project was originally funded for the three year period from 09/01/2009 to 08/31/2012. Subsequently a No-Cost Extension was approved for a revised end date of 11/30/2013. The primary goals of the project were to develop continuum solvation models for nondielectric short-range interactions between solvent and solute that arise from dispersion, exchange, and hydrogen bonding. These goals were accomplished and are reported in the five peer-reviewed journal publications listed in the bibliography below. The secondary goals of the project included derivation of analytic gradients for the models, improvement of the cavity integration scheme, application of the models to the core-level spectroscopy of water, and several other miscellaneous items. These goals were not accomplished because they depended on completion of the primary goals, after which there was a lack of time for any additional effort.

  17. Implementation of Minimal Representations in 2d Ising Model Calculations

    DTIC Science & Technology

    1992-05-01

    Re r’ u. 60:252-262.263-276. 1941. [Ons44] Lars Onsager . Crystal statistics I. A two-dimensional model with an order-disorder transition. Physical Re...ID lattices but the subject really came to life in 1944 when Onsager [Ons44] derived an exact closed form expression for the partition function (see

  18. Fluorescein as a model molecular calculator with reset capability.

    PubMed

    Margulies, David; Melman, Galina; Shanzer, Abraham

    2005-10-01

    The evolution of molecules capable of performing boolean operations has gone a long way since the inception of the first molecular AND logic gate, followed by other logic functions, such as XOR and INHIBIT, and has reached the stage where these tiny processors execute arithmetic calculations. Molecular logic gates that process a variety of chemical inputs can now be loaded with arrays of logic functions, enabling even a single molecular species to execute distinct algebraic operations: addition and subtraction. However, unlike electronic or optical signals, the accumulation of chemical inputs prevents chemical arithmetic systems from resetting. Consequently, a set of solutions is required to complete even the simplest arithmetic cycle. It has been suggested that these limitations can be overcome by washing off the input signals from solid supports. An alternative approach, which does not require solvent exchange or incorporation of bulk surfaces, is to reset the arithmetic system chemically. Ultimately, this is how some biological systems regenerate. Here we report a highly efficient and exceptionally simple molecular arithmetic system based on a plain fluorescein dye, capable of performing a full scale of elementary addition and subtraction algebraic operations. This system can be reset following each separate arithmetic step. The ability to selectively eradicate chemical inputs brings us closer to the realization of chemical computation.

  19. Aeroelastic Calculations Using CFD for a Typical Business Jet Model

    NASA Technical Reports Server (NTRS)

    Gibbons, Michael D.

    1996-01-01

    Two time-accurate Computational Fluid Dynamics (CFD) codes were used to compute several flutter points for a typical business jet model. The model consisted of a rigid fuselage with a flexible semispan wing and was tested in the Transonic Dynamics Tunnel at NASA Langley Research Center where experimental flutter data were obtained from M(sub infinity) = 0.628 to M(sub infinity) = 0.888. The computational results were computed using CFD codes based on the inviscid TSD equation (CAP-TSD) and the Euler/Navier-Stokes equations (CFL3D-AE). Comparisons are made between analytical results and with experiment where appropriate. The results presented here show that the Navier-Stokes method is required near the transonic dip due to the strong viscous effects while the TSD and Euler methods used here provide good results at the lower Mach numbers.

  20. Monte Carlo calculations of the finite density Thirring model

    NASA Astrophysics Data System (ADS)

    Alexandru, Andrei; Başar, Gökçe; Bedaque, Paulo F.; Ridgway, Gregory W.; Warrington, Neill C.

    2017-01-01

    We present results of the numerical simulation of the two-dimensional Thirring model at finite density and temperature. The severe sign problem is dealt with by deforming the domain of integration into complex field space. This is the first example where a fermionic sign problem is solved in a quantum field theory by using the holomorphic gradient flow approach, a generalization of the Lefschetz thimble method.

  1. Suomi NPP VIIRS Striping Analysis using Radiative Transfer Model Calculations

    NASA Astrophysics Data System (ADS)

    Wang, Z.; Cao, C.

    2015-12-01

    Modern satellite radiometers such as VIIRS have many detectors with slightly different relative spectral response (RSR). These differences can introduce artifacts such as striping in the imagery. In recent studies we have analyzed the striping pattern related to the detector level RSR difference in VIIRS Thermal Emissive Bands (TEB) M15 and M16, which includes line-by-line radiative transfer model (LBLRTM) detector level response study and onboard detector stability evaluation using the solar diffuser. Now we extend these analysis to the Reflective Solar Bands (RSB) using MODTRAN atmospheric radiative transfer model (RTM) for detector level radiance simulation. Previous studies analyzed the striping pattern in the images of VIIRS ocean color and reflectance in RSB, further studies about the root cause for striping are still needed. In this study, we will use the MODTRAN model at spectral resolution of 1 cm^-1 under different atmospheric conditions for VIIRS RSB, for example band M1 centered at 410nm which is used for Ocean Color product retrieval. The impact of detector level RSR difference, atmospheric dependency, and solar geometry on the striping in VIIRS SDR imagery will be investigated. The cumulative histogram method used successfully for the TEB striping analysis will be used to quantify the striping. These analysis help S-NPP and J1 to better understand the root cause for VIIRS image artifacts and reduce the uncertainties in geophysical retrievals to meet the user needs.

  2. Some atmospheric scattering considerations relevant to BATSE: A model calculation

    NASA Technical Reports Server (NTRS)

    Young, John H.

    1986-01-01

    The orbiting Burst and Transient Source Experiement (BATSE) will locate gamma ray burst sources by analysis of the relative numbers of photons coming directly from a source and entering its prescribed array of detectors. In order to accurately locate burst sources it is thus necessary to identify and correct for any counts contributed by events other than direct entry by a mainstream photon. An effort is described which estimates the photon numbers which might be scattered into the BATSE detectors from interactions with the Earth atmosphere. A model was developed which yielded analytical expressions for single-scatter photon contributions in terms of source and satellite locations.

  3. RADIOGRAPHIC BENCHMARK PROBLEM 2009 - SCATTER CALCULATIONS IN MODELLING

    SciTech Connect

    Jaenisch, G.-R.; Bellon, C.; Schumm, A.; Tabary, J.; Duvauchelle, Ph.

    2010-02-22

    Code Validation is a permanent concern in computer simulation, and has been addressed repeatedly in eddy current and ultrasonic modelling. A good benchmark problem is sufficiently simple to be taken into account by various codes without strong requirements on geometry representation capabilities, focuses on few or even a single aspect of the problem at hand to facilitate interpretation and to avoid that compound errors compensate themselves, yields a quantitative result and is experimentally accessible. In this paper we attempt to address code validation for one aspect of radio-graphic modelling, the scattered radiation prediction. An update of the results of the 2008 benchmark is presented. Additionally we discuss the extension of this benchmark on the lower energy part for 60 and 80 keV as well as for higher energies up to 10 MeV to study the contribution of pair production. Of special interest will be the primary radiation (attenuation law as reference), the total scattered radiation, the relative contribution of scattered radiation separated by order of scatter events (1st, 2nd, ..., 20th), and the spectrum of scattered radiation. We present the results of three Monte Carlo codes (MC-Ray, Sindbad and Moderato) as well as an analytical first order scattering code (VXI) and compare to MCNP as reference.

  4. Nuclear model calculations and their role in space radiation research

    NASA Technical Reports Server (NTRS)

    Townsend, L. W.; Cucinotta, F. A.; Heilbronn, L. H.

    2002-01-01

    Proper assessments of spacecraft shielding requirements and concomitant estimates of risk to spacecraft crews from energetic space radiation requires accurate, quantitative methods of characterizing the compositional changes in these radiation fields as they pass through thick absorbers. These quantitative methods are also needed for characterizing accelerator beams used in space radiobiology studies. Because of the impracticality/impossibility of measuring these altered radiation fields inside critical internal body organs of biological test specimens and humans, computational methods rather than direct measurements must be used. Since composition changes in the fields arise from nuclear interaction processes (elastic, inelastic and breakup), knowledge of the appropriate cross sections and spectra must be available. Experiments alone cannot provide the necessary cross section and secondary particle (neutron and charged particle) spectral data because of the large number of nuclear species and wide range of energies involved in space radiation research. Hence, nuclear models are needed. In this paper current methods of predicting total and absorption cross sections and secondary particle (neutrons and ions) yields and spectra for space radiation protection analyses are reviewed. Model shortcomings are discussed and future needs presented. c2002 COSPAR. Published by Elsevier Science Ltd. All right reserved.

  5. User Guide for GoldSim Model to Calculate PA/CA Doses and Limits

    SciTech Connect

    Smith, F.

    2016-10-31

    A model to calculate doses for solid waste disposal at the Savannah River Site (SRS) and corresponding disposal limits has been developed using the GoldSim commercial software. The model implements the dose calculations documented in SRNL-STI-2015-00056, Rev. 0 “Dose Calculation Methodology and Data for Solid Waste Performance Assessment (PA) and Composite Analysis (CA) at the Savannah River Site”.

  6. Modelling of power lines in lightning incidence calculations

    SciTech Connect

    Mousa, A.M. ); Srivastava, K.D. )

    1990-01-01

    When applying the electrogeometric model to power lines to determine the frequency and characteristics of the collected lightning strokes, the power line has traditionally been represented by a set of horizontal wires, i.e. both the sag of the wires and the existence of the towers have been ignored. This approach has serious shortcomings including inability to determine the percentage of the strokes terminating on the towers, failure to correctly predict the effect of height on median current, and giving an approximate value for the number of collected strokes without telling the corresponding degree of error. This paper eliminates the above problems by presenting a computerized solution which takes into consideration the sag of the wires, the existence of the towers, and the inequality of the striking distances to towers and to wires. The features of the program are discussed in the paper, and some of its results are given.

  7. Evaluating Models for Calculating Sub-Debris Ice Ablation

    NASA Astrophysics Data System (ADS)

    Nicholson, L. I.

    2014-12-01

    Debris-covered glaciers are a common feature of the mountain cryosphere, and the proportion of glacierized area that is debris-covered is increasing in many regions. Thus, in order to generate decadal or centennial projections of runoff and mass change of these glaciers it is important to be able to quantify the impact of surface debris on ice ablation. While exposed ice cliffs, ponded water and fluvial action are all important contributors to ablation within debris-covered areas, the focus here is on assessing the performance of a number of models of sub-debris melt of varying complexity. The goal is to determine the impact simplifying assumptions can be expected to have on glacier ablation over seasonal, annual and decadal timescales.

  8. Efficient distance calculation using the spherically-extended polytope (s-tope) model

    NASA Technical Reports Server (NTRS)

    Hamlin, Gregory J.; Kelley, Robert B.; Tornero, Josep

    1991-01-01

    An object representation scheme which allows for Euclidean distance calculation is presented. The object model extends the polytope model by representing objects as the convex hull of a finite set of spheres. An algorithm for calculating distances between objects is developed which is linear in the total number of spheres specifying the two objects.

  9. Sensitivity of Material Response Calculations to the Equation of State Model

    DTIC Science & Technology

    equation of state model. Three equation of state models, all...sources. The sensitivity of the calculated material response to the choice of equation of state model is characterized in terms of the generated impulse...and the peak propagating stress at the time the radiation source is cut off. For the calculations presented in this report, the three equation of state models are in fairly good

  10. A regression model for calculating the boiling point isobars of tetrachloromethane-based binary solutions

    NASA Astrophysics Data System (ADS)

    Preobrazhenskii, M. P.; Rudakov, O. B.

    2016-01-01

    A regression model for calculating the boiling point isobars of tetrachloromethane-organic solvent binary homogeneous systems is proposed. The parameters of the model proposed were calculated for a series of solutions. The correlation between the nonadditivity parameter of the regression model and the hydrophobicity criterion of the organic solvent is established. The parameter value of the proposed model is shown to allow prediction of the potential formation of azeotropic mixtures of solvents with tetrachloromethane.

  11. Model Calculations of Ocean Acidification at the End Cretaceous

    NASA Astrophysics Data System (ADS)

    Tyrrell, T.; Merico, A.; Armstrong McKay, D. I.

    2014-12-01

    Most episodes of ocean acidification (OA) in Earth's past were either too slow or too minor to provide useful lessons for understanding the present. The end-Cretaceous event (66 Mya) is special in this sense, both because of its rapid onset and also because many calcifying species (including 100% of ammonites and >95% of calcareous nannoplankton and planktonic foraminifera) went extinct at this time. We used box models of the ocean carbon cycle to evaluate whether impact-generated OA could feasibly have been responsible for the calcifier mass extinctions. We simulated several proposed consequences of the asteroid impact: (1) vaporisation of gypsum (CaSO4) and carbonate (CaCO3) rocks at the point of impact, producing sulphuric acid and CO2 respectively; (2) generation of NOx by the impact pressure wave and other sources, producing nitric acid; (3) release of CO2 from wildfires, biomass decay and disinterring of fossil organic carbon and hydrocarbons; and (4) ocean stirring leading to introduction into the surface layer of deep water with elevated CO2. We simulated additions over: (A) a few years (e-folding time of 6 months), and also (B) a few days (e-folding time of 10 hours) for SO4 and NOx, as recently proposed by Ohno et al (2014. Nature Geoscience, 7:279-282). Sulphuric acid as a consequence of gypsum vaporisation was found to be the most important acidifying process. Results will also be presented of the amounts of SO4 required to make the surface ocean become extremely undersaturated (Ωcalcite<0.5) for different e-folding times and combinations of processes. These will be compared to estimates in the literature of how much SO4 was actually released.

  12. A computer program for calculating relative-transmissivity input arrays to aid model calibration

    USGS Publications Warehouse

    Weiss, Emanuel

    1982-01-01

    A program is documented that calculates a transmissivity distribution for input to a digital ground-water flow model. Factors that are taken into account in the calculation are: aquifer thickness, ground-water viscosity and its dependence on temperature and dissolved solids, and permeability and its dependence on overburden pressure. Other factors affecting ground-water flow are indicated. With small changes in the program code, leakance also could be calculated. The purpose of these calculations is to provide a physical basis for efficient calibration, and to extend rational transmissivity trends into areas where model calibration is insensitive to transmissivity values.

  13. Inverse calculation of biochemical oxygen demand models based on time domain for the tidal Foshan River.

    PubMed

    Er, Li; Xiangying, Zeng

    2014-01-01

    To simulate the variation of biochemical oxygen demand (BOD) in the tidal Foshan River, inverse calculations based on time domain are applied to the longitudinal dispersion coefficient (E(x)) and BOD decay rate (K(x)) in the BOD model for the tidal Foshan River. The derivatives of the inverse calculation have been respectively established on the basis of different flow directions in the tidal river. The results of this paper indicate that the calculated values of BOD based on the inverse calculation developed for the tidal Foshan River match the measured ones well. According to the calibration and verification of the inversely calculated BOD models, K(x) is more sensitive to the models than E(x) and different data sets of E(x) and K(x) hardly affect the precision of the models.

  14. Sensitivity of p-nuclei abundance calculations to statistical model parameters

    NASA Astrophysics Data System (ADS)

    Roach, Brandon; Simon, Anna

    2017-01-01

    Many reactions relevant to astrophysics involve nuclei far from stability, and their cross sections must therefore be calculated numerically for input into large-scale stellar nucleosynthesis calculations. Recent work, especially regarding p-process nucleosynthesis, has shown that the observed astrophysical abundances of certain nuclides differ by almost a factor of 10 from those predicted by network calculations using accepted reaction rates. Additionally, significant differences between calculated abundances when using different versions of these rates have been obtained. We therefore present the abundances of p-nuclei calculated using the open-source NucNet Tools code for a 25 solar mass type II supernova model, incorporating reaction cross sections calculated using the statistical-model code TALYS using several α optical potentials and γ-strength functions. This work is supported by the NSF under Grant Numbers PHY-1614442 and PHY-1430152 (JINA-CEE).

  15. S-values calculated from a tomographic head/brain model for brain imaging

    NASA Astrophysics Data System (ADS)

    Chao, Tsi-chian; Xu, X. George

    2004-11-01

    A tomographic head/brain model was developed from the Visible Human images and used to calculate S-values for brain imaging procedures. This model contains 15 segmented sub-regions including caudate nucleus, cerebellum, cerebral cortex, cerebral white matter, corpus callosum, eyes, lateral ventricles, lenses, lentiform nucleus, optic chiasma, optic nerve, pons and middle cerebellar peduncle, skull CSF, thalamus and thyroid. S-values for C-11, O-15, F-18, Tc-99m and I-123 have been calculated using this model and a Monte Carlo code, EGS4. Comparison of the calculated S-values with those calculated from the MIRD (1999) stylized head/brain model shows significant differences. In many cases, the stylized head/brain model resulted in smaller S-values (as much as 88%), suggesting that the doses to a specific patient similar to the Visible Man could have been underestimated using the existing clinical dosimetry.

  16. Model-Independent Calculation of Radiative Neutron Capture on Lithium-7

    SciTech Connect

    Rupak, Gautam; Higa, Renato

    2011-06-03

    The radiative neutron capture on lithium-7 is calculated model independently using a low-energy halo effective field theory. The cross section is expressed in terms of scattering parameters directly related to the S-matrix elements. It depends on the poorly known p-wave effective range parameter r{sub 1}. This constitutes the largest uncertainty in traditional model calculations. It is explicitly demonstrated by comparing with potential model calculations. A single parameter fit describes the low-energy data extremely well and yields r{sub 1{approx_equal}}-1.47 fm{sup -1}.

  17. 40 CFR 600.207-93 - Calculation of fuel economy values for a model type.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Calculation of fuel economy values for... AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Fuel Economy Regulations for 1977 and Later Model Year Automobiles-Procedures for Calculating Fuel...

  18. 40 CFR 600.207-86 - Calculation of fuel economy values for a model type.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Calculation of fuel economy values for... AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Fuel Economy Regulations for 1977 and Later Model Year Automobiles-Procedures for Calculating Fuel...

  19. Airloads and Wake Geometry Calculations for an Isolated Tiltrotor Model in a Wind Tunnel

    NASA Technical Reports Server (NTRS)

    Johnson, Wayne

    2001-01-01

    Comparisons of measured and calculated aerodynamic behavior of a tiltrotor model are presented. The test of the Tilt Rotor Aeroacoustic Model (TRAM) with a single, 0.25-scale V-22 rotor in the German-Dutch Wind Tunnel (DNW) provides an extensive set of aeroacoustic, performance, and structural loads data. The calculations were performed using the rotorcraft comprehensive analysis CAMRAD II. Presented are comparisons of measured and calculated performance for hover and helicopter mode operation, and airloads for helicopter mode. Calculated induced power, profile power, and wake geometry provide additional information about the aerodynamic behavior. An aerodynamic and wake model and calculation procedure that reflects the unique geometry and phenomena of tiltrotors has been developed. There are major differences between this model and the corresponding aerodynamic and wake model that has been established for helicopter rotors. In general, good correlation between measured and calculated performance and airloads behavior has been shown. Two aspects of the analysis that clearly need improvement are the stall delay model and the trailed vortex formation model.

  20. Analysis and calculation of macrosegregation in a casting ingot. MPS solidification model. Volume 2: Software documentation

    NASA Technical Reports Server (NTRS)

    Maples, A. L.

    1980-01-01

    The software developed for the solidification model is presented. A link between the calculations and the FORTRAN code is provided, primarily in the form of global flow diagrams and data structures. A complete listing of the solidification code is given.

  1. Fast and accurate calculation of dilute quantum gas using Uehling-Uhlenbeck model equation

    NASA Astrophysics Data System (ADS)

    Yano, Ryosuke

    2017-02-01

    The Uehling-Uhlenbeck (U-U) model equation is studied for the fast and accurate calculation of a dilute quantum gas. In particular, the direct simulation Monte Carlo (DSMC) method is used to solve the U-U model equation. DSMC analysis based on the U-U model equation is expected to enable the thermalization to be accurately obtained using a small number of sample particles and the dilute quantum gas dynamics to be calculated in a practical time. Finally, the applicability of DSMC analysis based on the U-U model equation to the fast and accurate calculation of a dilute quantum gas is confirmed by calculating the viscosity coefficient of a Bose gas on the basis of the Green-Kubo expression and the shock layer of a dilute Bose gas around a cylinder.

  2. Large-scale shell-model calculations on the spectroscopy of N <126 Pb isotopes

    NASA Astrophysics Data System (ADS)

    Qi, Chong; Jia, L. Y.; Fu, G. J.

    2016-07-01

    Large-scale shell-model calculations are carried out in the model space including neutron-hole orbitals 2 p1 /2 ,1 f5 /2 ,2 p3 /2 ,0 i13 /2 ,1 f7 /2 , and 0 h9 /2 to study the structure and electromagnetic properties of neutron-deficient Pb isotopes. An optimized effective interaction is used. Good agreement between full shell-model calculations and experimental data is obtained for the spherical states in isotopes Pb-206194. The lighter isotopes are calculated with an importance-truncation approach constructed based on the monopole Hamiltonian. The full shell-model results also agree well with our generalized seniority and nucleon-pair-approximation truncation calculations. The deviations between theory and experiment concerning the excitation energies and electromagnetic properties of low-lying 0+ and 2+ excited states and isomeric states may provide a constraint on our understanding of nuclear deformation and intruder configuration in this region.

  3. Reliability and structural integrity. [analytical model for calculating crack detection probability

    NASA Technical Reports Server (NTRS)

    Davidson, J. R.

    1973-01-01

    An analytic model is developed to calculate the reliability of a structure after it is inspected for cracks. The model accounts for the growth of undiscovered cracks between inspections and their effect upon the reliability after subsequent inspections. The model is based upon a differential form of Bayes' Theorem for reliability, and upon fracture mechanics for crack growth.

  4. Difficult Budgetary Decisions: A Desk-Top Calculator Model to Facilitate Executive Decisions.

    ERIC Educational Resources Information Center

    Tweddale, R. Bruce

    Presented is a budgetary decision model developed to aid the executive officers in arriving at tentative decisions on enrollment, tuition rates, increased compensation, and level of staffing as they affect the total institutional budget. The model utilizes a desk-top programmable calculator (in this case, a Burroughs Model C 3660). The model…

  5. Analytical approach to calculation of response spectra from seismological models of ground motion

    USGS Publications Warehouse

    Safak, Erdal

    1988-01-01

    An analytical approach to calculate response spectra from seismological models of ground motion is presented. Seismological models have three major advantages over empirical models: (1) they help in an understanding of the physics of earthquake mechanisms, (2) they can be used to predict ground motions for future earthquakes and (3) they can be extrapolated to cases where there are no data available. As shown with this study, these models also present a convenient form for the calculation of response spectra, by using the methods of random vibration theory, for a given magnitude and site conditions. The first part of the paper reviews the past models for ground motion description, and introduces the available seismological models. Then, the random vibration equations for the spectral response are presented. The nonstationarity, spectral bandwidth and the correlation of the peaks are considered in the calculation of the peak response.

  6. Optimization of Couch Modeling in the Change of Dose Calculation Methods and Their Versions.

    PubMed

    Kuwahara, Junichi; Nakata, Manabu; Fujimoto, Takahiro; Nakamura, Mitsuhiro; Sasaki, Makoto; Tsuruta, Yusuke; Yano, Shinsuke; Higashimura, Kyoji; Hiraoka, Masahiro

    2017-01-01

    In external radiotherapy, the X-ray beam passes through the treatment couch, leading to the dose reduction by the attenuation of the couch. As a method to compensate for the reduction, radiation treatment planning systems (RTPS) support virtual couch function, namely "couch modeling method". In the couch modeling method, the computed tomography (CT) numbers assigned to each structure should be optimized by comparing calculations to measurements for accurate dose calculation. Thus, re-optimization of CT numbers will be required when the dose calculation algorithm or their version changes. The purpose of this study is to evaluate the calculation accuracy of the couch modeling method in different calculation algorithms and their versions. The optimal CT numbers were determined by minimizing the difference between measured transmission factors and calculated ones. When CT numbers optimized by Anisotropic Analytical Algorithm (AAA) Ver. 8.6 were used, the maximum and the mean difference of transmission factor were 5.8% and 1.5%, respectively, for Acuros XB (AXB) Ver. 11.0. However, when CT numbers optimized by AXB Ver. 11.0 were used, they were 2.6% and 0.6%, respectively. The CT numbers for couch structures should be optimized when changing dose calculation algorithms and their versions. From the comparison of the measured transmission to calculation, it was found that the CT numbers had high accuracy.

  7. Calculation of delayed-neutron energy spectra in a QRPA-Hauser-Feshbach model

    SciTech Connect

    Kawano, Toshihiko; Moller, Peter; Wilson, William B

    2008-01-01

    Theoretical {beta}-delayed-neutron spectra are calculated based on the Quasiparticle Random-Phase Approximation (QRPA) and the Hauser-Feshbach statistical model. Neutron emissions from an excited daughter nucleus after {beta} decay to the granddaughter residual are more accurately calculated than in previous evaluations, including all the microscopic nuclear structure information, such as a Gamow-Teller strength distribution and discrete states in the granddaughter. The calculated delayed-neutron spectra agree reasonably well with those evaluations in the ENDF decay library, which are based on experimental data. The model was adopted to generate the delayed-neutron spectra for all 271 precursors.

  8. Verification of smoke plume opacity model on a TI-59 calculator

    NASA Astrophysics Data System (ADS)

    Cowen, Stanton J.; Ensor, David S.; Sparks, Leslie E.

    A smoke plume opacity model previously developed by the authors for a programmable calculator was tested with laboratory and field data. This model is based on Mie theory calculation of light scattering of small spherical particles. This model has been tested with two data sets; the first data set includes emissions from a laboratory-scale electrostatic precipitator (ESP) and the second data set originates from a study on a high efficiency ESP downstream of a pulverized coal-fired 520 MW boiler. The predicted opacity agreed well with measured opacity. The model predicts opacity within the accuracy of the input measurements, approximately 25 per cent.

  9. Numerical calculations of gaseous reacting flows in a model of gas turbine combustors

    NASA Astrophysics Data System (ADS)

    Yan, Chuanjun; Tang, Ming; Zhu, Huiling; Sun, Huixian

    1991-02-01

    The numerical calculations of gaseous reaction flows in a model of gas-turbine combustors are described. The profiles of hydrodynamic and thermodynamic patterns in a 3D combustor model are obtained by solving the governing differential transport equations. The well-established numerical prediction algorithm SIMPLE; a modified turbulence model, and a turbulent diffusion flame model are adopted in the computations. The beta-function is selected as the probability density function. The effect of the combustion process on flow patterns is investigated. The calculated results are verified by experiments, and are in good agreement.

  10. Quality Assessment of Predicted Protein Models Using Energies Calculated by the Fragment Molecular Orbital Method.

    PubMed

    Simoncini, David; Nakata, Hiroya; Ogata, Koji; Nakamura, Shinichiro; Zhang, Kam Yj

    2015-02-01

    Protein structure prediction directly from sequences is a very challenging problem in computational biology. One of the most successful approaches employs stochastic conformational sampling to search an empirically derived energy function landscape for the global energy minimum state. Due to the errors in the empirically derived energy function, the lowest energy conformation may not be the best model. We have evaluated the use of energy calculated by the fragment molecular orbital method (FMO energy) to assess the quality of predicted models and its ability to identify the best model among an ensemble of predicted models. The fragment molecular orbital method implemented in GAMESS was used to calculate the FMO energy of predicted models. When tested on eight protein targets, we found that the model ranking based on FMO energies is better than that based on empirically derived energies when there is sufficient diversity among these models. This model diversity can be estimated prior to the FMO energy calculations. Our result demonstrates that the FMO energy calculated by the fragment molecular orbital method is a practical and promising measure for the assessment of protein model quality and the selection of the best protein model among many generated.

  11. Comparison of results of experimental research with numerical calculations of a model one-sided seal

    NASA Astrophysics Data System (ADS)

    Joachimiak, Damian; Krzyślak, Piotr

    2015-06-01

    Paper presents the results of experimental and numerical research of a model segment of a labyrinth seal for a different wear level. The analysis covers the extent of leakage and distribution of static pressure in the seal chambers and the planes upstream and downstream of the segment. The measurement data have been compared with the results of numerical calculations obtained using commercial software. Based on the flow conditions occurring in the area subjected to calculations, the size of the mesh defined by parameter y+ has been analyzed and the selection of the turbulence model has been described. The numerical calculations were based on the measurable thermodynamic parameters in the seal segments of steam turbines. The work contains a comparison of the mass flow and distribution of static pressure in the seal chambers obtained during the measurement and calculated numerically in a model segment of the seal of different level of wear.

  12. Thomas-Fermi Quark Model and Techniques to Improve Lattice QCD Calculation

    NASA Astrophysics Data System (ADS)

    Liu, Quan

    Two topics are discussed separately in this thesis. In the first part a semiclassical quark model, called the Thomas-Fermi quark model, is reviewed. After a modified approach to spin in the model is introduced, I present the calculation of the spectra of octet and decuplet baryons. The six-quark doubly strange H-dibaryon state is also investigated. In the second part, two numerical techniques which improve latice QCD calculations are covered. The first one, which we call Polynomial-Preconditioned GMRES-DR(PP-GMRESDR), is used to speed up the calculation of large systems of linear equations in LQCD. The second one, called the Polynomial-Subtraction method, is used to help reduce the noise variance of the calculations for disconnected loops in LQCD.

  13. The Calculation of Theoretical Chromospheric Models and the Interpretation of the Solar Spectrum

    NASA Technical Reports Server (NTRS)

    Avrett, Eugene H.

    1998-01-01

    Since the early 1970s we have been developing the extensive computer programs needed to construct models of the solar atmosphere and to calculate detailed spectra for use in the interpretation of solar observations. This research involves two major related efforts: work by Avrett and Loeser on the Pandora computer program for non-LTE modeling of the solar atmosphere including a wide range of physical processes, and work by Rurucz on the detailed synthesis of the solar spectrum based on opacity data or over 58 million atomic and molecular lines. our goals are: to determine models of the various features observed on the Sun (sunspots, different components of quiet and active regions, and flares) by means of physically realistic models, and to calculate detailed spectra at all wavelengths that match observations of those features. These two goals are interrelated: discrepancies between calculated and observed spectra are used to determine improvements in the structure of the models, and in the detailed physical processes used in both the model calculations and the spectrum calculations. The atmospheric models obtained in this way provide not only the depth variation of various atmospheric parameters, but also a description of the internal physical processes that are responsible for non-radiative heating, and for solar activity in general.

  14. The calculation of theoretical chromospheric models and the interpretation of the solar spectrum

    NASA Technical Reports Server (NTRS)

    Avrett, Eugene H.

    1994-01-01

    Since the early 1970s we have been developing the extensive computer programs needed to construct models of the solar atmosphere and to calculate detailed spectra for use in the interpretation of solar observations. This research involves two major related efforts: work by Avrett and Loeser on the Pandora computer program for non-LTE modeling of the solar atmosphere including a wide range of physical processes, and work by Kurucz on the detailed synthesis of the solar spectrum based on opacity data for over 58 million atomic and molecular lines. Our goals are to determine models of the various features observed on the sun (sunspots, different components of quiet and active regions, and flares) by means of physically realistic models, and to calculate detailed spectra at all wavelengths that match observations of those features. These two goals are interrelated: discrepancies between calculated and observed spectra are used to determine improvements in the structure of the models, and in the detailed physical processes used in both the model calculations and the spectrum calculations. The atmospheric models obtained in this way provide not only the depth variation of various atmospheric parameters, but also a description of the internal physical processes that are responsible for nonradiative heating, and for solar activity in general.

  15. Triaxial superdeformed and normal-deformed high-spin band structures in {sup 170}Hf

    SciTech Connect

    Neusser-Neffgen, A.; Huebel, H.; Bringel, P.; Domscheit, J.; Mergel, E.; Nenoff, N.; Singh, A.K.; Hagemann, G.B.; Jensen, D.R.; Bhattacharya, S.; Curien, D.; Dorvaux, O.; Hannachi, F.; Lopez-Martens, A.

    2006-03-15

    The high-spin structure of {sup 170}Hf was investigated using the EUROBALL spectrometer. The previously known level scheme was extended in the low-spin region as well as to higher spins, and several new bands were discovered. In particular, two bands were identified which show the characteristics of triaxial superdeformation. One of these bands is strongly populated, and its excitation energy and spins are established. Configuration assignments are made to the normal-deformed bands based on comparisons of their properties with cranked shell model calculations. The results for the very high spin states provide important input for such calculations.

  16. Hot DA white dwarf model atmosphere calculations: including improved Ni PI cross-sections

    NASA Astrophysics Data System (ADS)

    Preval, S. P.; Barstow, M. A.; Badnell, N. R.; Hubeny, I.; Holberg, J. B.

    2017-02-01

    To calculate realistic models of objects with Ni in their atmospheres, accurate atomic data for the relevant ionization stages need to be included in model atmosphere calculations. In the context of white dwarf stars, we investigate the effect of changing the Ni IV-VI bound-bound and bound-free atomic data on model atmosphere calculations. Models including photoionization cross-section (PICS) calculated with AUTOSTRUCTURE show significant flux attenuation of up to ˜80 per cent shortward of 180 Å in the extreme ultraviolet (EUV) region compared to a model using hydrogenic PICS. Comparatively, models including a larger set of Ni transitions left the EUV, UV, and optical continua unaffected. We use models calculated with permutations of these atomic data to test for potential changes to measured metal abundances of the hot DA white dwarf G191-B2B. Models including AUTOSTRUCTURE PICS were found to change the abundances of N and O by as much as ˜22 per cent compared to models using hydrogenic PICS, but heavier species were relatively unaffected. Models including AUTOSTRUCTURE PICS caused the abundances of N/O IV and V to diverge. This is because the increased opacity in the AUTOSTRUCTURE PICS model causes these charge states to form higher in the atmosphere, more so for N/O V. Models using an extended line list caused significant changes to the Ni IV-V abundances. While both PICS and an extended line list cause changes in both synthetic spectra and measured abundances, the biggest changes are caused by using AUTOSTRUCTURE PICS for Ni.

  17. Efficient independent planar dose calculation for FFF IMRT QA with a bivariate Gaussian source model.

    PubMed

    Li, Feifei; Park, Ji-Yeon; Barraclough, Brendan; Lu, Bo; Li, Jonathan; Liu, Chihray; Yan, Guanghua

    2017-03-01

    The aim of this study is to perform a direct comparison of the source model for photon beams with and without flattening filter (FF) and to develop an efficient independent algorithm for planar dose calculation for FF-free (FFF) intensity-modulated radiotherapy (IMRT) quality assurance (QA). The source model consisted of a point source modeling the primary photons and extrafocal bivariate Gaussian functions modeling the head scatter, monitor chamber backscatter, and collimator exchange effect. The model parameters were obtained by minimizing the difference between the calculated and measured in-air output factors (Sc ). The fluence of IMRT beams was calculated from the source model using a backprojection and integration method. The off-axis ratio in FFF beams were modeled with a fourth degree polynomial. An analytical kernel consisting of the sum of three Gaussian functions was used to describe the dose deposition process. A convolution-based method was used to account for the ionization chamber volume averaging effect when commissioning the algorithm. The algorithm was validated by comparing the calculated planar dose distributions of FFF head-and-neck IMRT plans with measurements performed with a 2D diode array. Good agreement between the measured and calculated Sc was achieved for both FF beams (<0.25%) and FFF beams (<0.10%). The relative contribution of the head-scattered photons reduced by 34.7% for 6 MV and 49.3% for 10 MV due to the removal of the FF. Superior agreement between the calculated and measured dose distribution was also achieved for FFF IMRT. In the gamma comparison with a 2%/2 mm criterion, the average passing rate was 96.2 ± 1.9% for 6 MV FFF and 95.5 ± 2.6% for 10 MV FFF. The efficient independent planar dose calculation algorithm is easy to implement and can be valuable in FFF IMRT QA.

  18. Calculation of individual isotope equilibrium constants for implementation in geochemical models

    USGS Publications Warehouse

    Thorstenson, Donald C.; Parkhurst, David L.

    2002-01-01

    Theory is derived from the work of Urey to calculate equilibrium constants commonly used in geochemical equilibrium and reaction-transport models for reactions of individual isotopic species. Urey showed that equilibrium constants of isotope exchange reactions for molecules that contain two or more atoms of the same element in equivalent positions are related to isotope fractionation factors by , where is n the number of atoms exchanged. This relation is extended to include species containing multiple isotopes, for example and , and to include the effects of nonideality. The equilibrium constants of the isotope exchange reactions provide a basis for calculating the individual isotope equilibrium constants for the geochemical modeling reactions. The temperature dependence of the individual isotope equilibrium constants can be calculated from the temperature dependence of the fractionation factors. Equilibrium constants are calculated for all species that can be formed from and selected species containing , in the molecules and the ion pairs with where the subscripts g, aq, l, and s refer to gas, aqueous, liquid, and solid, respectively. These equilibrium constants are used in the geochemical model PHREEQC to produce an equilibrium and reaction-transport model that includes these isotopic species. Methods are presented for calculation of the individual isotope equilibrium constants for the asymmetric bicarbonate ion. An example calculates the equilibrium of multiple isotopes among multiple species and phases.

  19. SAMPLE AOR CALCULATION USING ANSYS FULL PARAMETRIC MODEL FOR TANK SST-SX

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS parametric 360-degree model for single-shell tank SX and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric full model for the single shell tank (SST) SX to deal with asymmetry loading conditions and provide a sample analysis of the SST-SX tank based on analysis of record (AOR) loads. The SST-SX model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  20. SAMPLE AOR CALCULATION USING ANSYS SLICE PARAMETRIC MODEL FOR TANK SST-SX

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS slice parametric model for single-shell tank SX and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for the single shell tank (SST) SX, and provide a sample analysis of the SST-SX tank based on analysis of record (AOR) loads. The SST-SX model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  1. SAMPLE AOR CALCULATION USING ANSYS AXISYMMETRIC PARAMETRIC MODEL FOR TANK SST-S

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS axisymmetric parametric model for single-shell tank S and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for single shell tank (SST) S, and provide a sample analysis of SST-S tank based on analysis of record (AOR) loads. The SST-S model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  2. SAMPLE AOR CALCULATION USING ANSYS SLICE PARAMETRIC MODEL FOR TANK SST-BX

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS slice parametric model for single-shell tank BX and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for the single shell tank (SST) BX, and provide a sample analysis of the SST-BX tank based on analysis of record (AOR) loads. The SST-BX model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  3. SAMPLE AOR CALCULATION USING ANSYS SLICE PARAMETRIC MODEL FOR TANK SST-A

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS slice parametric model for single-shell tank A and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for the single shell tank (S) A, and provide a sample analysis of the SST-S tank based on analysis of record (AOR) loads. The SST-A model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  4. SAMPLE AOR CALCULATION USING ANSYS AXISYMMETRIC PARAMETRIC MODEL FOR TANK SST-AX

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS axisymmetric parametric model for single-shell tank AX and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for single shell tank (SST) AX, and provide a sample analysis of SST-AX tank based on analysis of record (AOR) loads. The SST-AX model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  5. SAMPLE AOR CALCULATION USING ANSYS SLICE PARAMETRIC MODEL FOR TANK SST-S

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS slice parametric model for single-shell tank S and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for the single shell tank (SST) S, and provide a sample analysis of the SST-S tank based on analysis of record (AOR) loads. The SST-S model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  6. SAMPLE AOR CALCULATION USING ANSYS SLICE PARAMETRIC MODEL FOR TANK SST-AX

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS slice parametric model for single-shell tank AX and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for the single shell tank (SST) AX, and provide a sample analysis of the SST-AX tank based on analysis of record (AOR) loads. The SST-AX model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  7. SAMPLE AOR CALCULATION USING ANSYS AXISYMMETRIC PARAMETRIC MODEL FOR TANK SST-SX

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS axisymmetric parametric model for single-shell tank SX and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for single shell tank (SST) SX, and provide a sample analysis of the SST-SX tank based on analysis of record (AOR) loads. The SST-SX model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  8. SAMPLE AOR CALCULATION USING ANSYS AXISYMMETRIC PARAMETRIC MODEL FOR TANK SST-A

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS axisymmetric parametric model for single-shell tank A and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to develop a parametric model for single shell tank (SST) A, and provide a sample analysis of SST-A tank based on analysis of record (AOR) loads. The SST-A model is based on buyer-supplied as-built drawings and information for the AOR for SSTs, encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  9. Markov chain models of coupled intracellular calcium channels: Kronecker structured representations and benchmark stationary distribution calculations.

    PubMed

    Deremigio, Hilary; Kemper, Peter; Lamar, M Drew; Smith, Gregory D

    2008-01-01

    Mathematical models of calcium release sites derived from Markov chain models of intracellular calcium channels exhibit collective gating reminiscent of the experimentally observed phenomenon of stochastic calcium excitability (i.e., calcium puffs and sparks). We present a Kronecker structured representation for calcium release site models and perform benchmark stationary distribution calculations using numerical iterative solution techniques that leverage this structure. In this context we find multi-level methods and certain preconditioned projection methods superior to simple Gauss-Seidel type iterations. Response measures such as the number of channels in a particular state converge more quickly using these numerical iterative methods than occupation measures calculated via Monte Carlo simulation.

  10. Modeling the Influence of Calculator Use and Teacher Effects on First Grade Students' Mathematics Achievement

    ERIC Educational Resources Information Center

    Polly, Drew

    2008-01-01

    American students continue to struggle on measures of student achievement. This study employed Hierarchical Linear Modeling to estimate a two-level model and examine the influences of calculator use and teachers' instructional practices on student achievement in mathematics amongst first-grade students. The outcome variable was mathematics test…

  11. Benchmark calculation of no-core Monte Carlo shell model in light nuclei

    SciTech Connect

    Abe, T.; Shimizu, N.; Maris, P.; Vary, J. P.; Otsuka, T.; Utsuno, Y.

    2011-05-06

    The Monte Carlo shell model is firstly applied to the calculation of the no-core shell model in light nuclei. The results are compared with those of the full configuration interaction. The agreements between them are within a few % at most.

  12. Improved Coefficient Calculator for the California Energy Commission 6 Parameter Photovoltaic Module Model

    SciTech Connect

    Dobos, A. P.

    2012-05-01

    This paper describes an improved algorithm for calculating the six parameters required by the California Energy Commission (CEC) photovoltaic (PV) Calculator module model. Rebate applications in California require results from the CEC PV model, and thus depend on an up-to-date database of module characteristics. Currently, adding new modules to the database requires calculating operational coefficients using a general purpose equation solver - a cumbersome process for the 300+ modules added on average every month. The combination of empirical regressions and heuristic methods presented herein achieve automated convergence for 99.87% of the 5487 modules in the CEC database and greatly enhance the accuracy and efficiency by which new modules can be characterized and approved for use. The added robustness also permits general purpose use of the CEC/6 parameter module model by modelers and system analysts when standard module specifications are known, even if the module does not exist in a preprocessed database.

  13. Calculation procedures for oil free scroll compressors based on mathematical modelling of working process

    NASA Astrophysics Data System (ADS)

    Paranin, Y.; Burmistrov, A.; Salikeev, S.; Fomina, M.

    2015-08-01

    Basic propositions of calculation procedures for oil free scroll compressors characteristics are presented. It is shown that mathematical modelling of working process in a scroll compressor makes it possible to take into account such factors influencing the working process as heat and mass exchange, mechanical interaction in working chambers, leakage through slots, etc. The basic mathematical model may be supplemented by taking into account external heat exchange, elastic deformation of scrolls, inlet and outlet losses, etc. To evaluate the influence of procedure on scroll compressor characteristics calculations accuracy different calculations were carried out. Internal adiabatic efficiency was chosen as a comparative parameter which evaluates the perfection of internal thermodynamic and gas-dynamic compressor processes. Calculated characteristics are compared with experimental values obtained for the compressor pilot sample.

  14. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation Modelling

    DTIC Science & Technology

    2009-10-01

    Beattie - Bridgeman Virial expansion The above equations are suitable for moderate pressures and are usually based on either empirical constants...CR 2010-013 October 2009 A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation...Defence R&D Canada. A Review of Equation of State Models, Chemical Equilibrium Calculations and CERV Code Requirements for SHS Detonation

  15. Sputtering yield calculations using an interatomic potential with the shell effect and a new local model

    NASA Astrophysics Data System (ADS)

    Li, Zhijie; Kenmotsu, Takahiro; Kawamura, Takaichi; Ono, Tadayoshi; Yamamura, Yasunori

    1999-06-01

    In order to test the availabilities of the theoretical screening lengths with the shell effect and the new local electronic-energy-loss model proposed by Yamamura et al., the sputtering yields due to various ion impacts on monatomic materials were calculated with the ACAT code. It is found that the sputtering yields calculated by the Molière potential with the present theoretical screening lengths are in reasonable good agreement with experimental data and Yamamura's empirical sputtering formula without free parameters.

  16. Green's function calculation of through-bond electronic coupling in donor bridge acceptor model systems

    NASA Astrophysics Data System (ADS)

    de Santana, O. L.; da Gama, A. A. S.

    1999-12-01

    The Green's function formalism is applied for the calculation of the effective through-bond donor-acceptor coupling in model molecular systems. The calculation is performed at a Hartree-Fock (self-consistent) level, by using semiempirical AM1 and CNDO/S, and ab initio STO-3G methods. The results are compared with that obtained from the splitting of the appropriate levels, by using the Koopmans' theorem, within each one of the selected quantum chemical methods.

  17. Absorbing-sphere model for calculating ion-ion recombination total cross sections.

    NASA Technical Reports Server (NTRS)

    Olson, R. E.

    1972-01-01

    An 'absorbing-sphere' model based on the Landau-Zener method is set up for calculating the upper limit thermal energy (300 K) reaction rate and the energy dependence of the total cross sections. The crucial parameter needed for the calculation is the electron detachment energy for the outer electron on the anion. It is found that the cross sections increase with decreasing electron detachment energy.

  18. Polarizable Simulations with Second order Interaction Model – force field and software for fast polarizable calculations: Parameters for small model systems and free energy calculations

    PubMed Central

    Kaminski, George A.; Ponomarev, Sergei Y.; Liu, Aibing B.

    2009-01-01

    We are presenting POSSIM (POlarizable Simulations with Second order Interaction Model) – a software package and a set of parameters designed for molecular simulations. The key feature of POSSIM is that the electrostatic polarization is taken into account using a previously introduced fast formalism. This permits cutting computational cost of using the explicit polarization by about an order of magnitude. In this article, parameters for water, methane, ethane, propane, butane, methanol and NMA are introduced. These molecules are viewed as model systems for protein simulations. We have achieved our goal of ca. 0.5 kcal/mol accuracy for gas-phase dimerization energies and no more than 2% deviations in liquid state heats of vaporization and densities. Moreover, free energies of hydration of the polarizable methane, ethane and methanol have been calculated using the statistical perturbation theory. These calculations are a model for calculating protein pKa shifts and ligand binding affinities. The free energies of hydration were found to be 2.12 kcal/mol, 1.80 kcal/mol and −4.95 kcal/mol for methane, ethane and methanol, respectively. The experimentally determined literature values are 1.91 kcal/mol, 1.83 kcal/mol and −5.11 kcal/mol. The POSSIM average error in these absolute free energies of hydration is only about 0.13 kcal/mol. Using the statistical perturbation theory with polarizable force fields is not widespread, and we believe that this work opens road to further development of the POSSIM force field and its applications for obtaining accurate energies in protein-related computer modeling. PMID:20209038

  19. Factors influencing separation distances against odour annoyance calculated by Gaussian and Lagrangian dispersion models

    NASA Astrophysics Data System (ADS)

    Piringer, Martin; Knauder, Werner; Petz, Erwin; Schauberger, Günther

    2016-09-01

    Direction-dependent separation distances to avoid odour annoyance, calculated with the Gaussian Austrian Odour Dispersion Model AODM and the Lagrangian particle diffusion model LASAT at two sites, are analysed and compared. The relevant short-term peak odour concentrations are calculated with a stability-dependent peak-to-mean algorithm. The same emission and meteorological data, but model-specific atmospheric stability classes are used. The estimate of atmospheric stability is obtained from three-axis ultrasonic anemometers using the standard deviations of the three wind components and the Obukhov stability parameter. The results are demonstrated for the Austrian villages Reidling and Weissbach with very different topographical surroundings and meteorological conditions. Both the differences in the wind and stability regimes as well as the decrease of the peak-to-mean factors with distance lead to deviations in the separation distances between the two sites. The Lagrangian model, due to its model physics, generally calculates larger separation distances. For worst-case calculations necessary with environmental impact assessment studies, the use of a Lagrangian model is therefore to be preferred over that of a Gaussian model. The study and findings relate to the Austrian odour impact criteria.

  20. Infrared cooling rate calculations in operational general circulation models - Comparisons with benchmark computations

    NASA Technical Reports Server (NTRS)

    Kiehl, J. T.; Lacis, A. A.; Schwarzkopf, M. D.; Fels, S. B.

    1991-01-01

    The performance of several parameterized models is described with respect to numerical prediction and climate research at GFDL, NCAR, and GISS. The radiation codes of the models were compared to benchmark calculations and other codes for the intercomparison of radiation codes in climate models (ICRCCM). Cooling rates and fluxes calculated from the models are examined in terms of their application to established general circulation models (GCMs) from the three research institutions. The newest radiation parameterization techniques show the most significant agreement with the benchmark line-by-line (LBL) results. The LBL cooling rates correspond to cooling rate profiles from the models, but the parameterization of the water vapor continuum demonstrates uncertain results. These uncertainties affect the understanding of some lower tropospheric cooling, and therefore more accurate parameterization of the water vapor continuum, as well as the weaker absorption bands of CO2 and O3 is recommended.

  1. Model calculations of the Sivers function satisfying the Burkardt sum rule

    SciTech Connect

    Courtoy, A.; Vento, V.; Scopetta, S.

    2009-04-01

    It is shown that, at variance with previous analyses, the MIT bag model can explain the available data of the Sivers function and satisfies the Burkardt sum rule to a few percent accuracy. The agreement is similar to the one recently found in the constituent quark model. Therefore, these two model calculations of the Sivers function are in agreement with the present experimental and theoretical wisdom.

  2. The calculation of theoretical chromospheric models and the interpretation of solar spectra from rockets and spacecraft

    NASA Technical Reports Server (NTRS)

    Avrett, E. H.

    1984-01-01

    Models and spectra of sunspots were studied, because they are important to energy balance and variability discussions. Sunspot observations in the ultraviolet region 140 to 168 nn was obtained by the NRL High Resolution Telescope and Spectrograph. Extensive photometric observations of sunspot umbrae and prenumbrae in 10 chanels covering the wavelength region 387 to 3800 nm were made. Cool star opacities and model atmospheres were computed. The Sun is the first testcase, both to check the opacity calculations against the observed solar spectrum, and to check the purely theoretical model calculation against the observed solar energy distribution. Line lists were finally completed for all the molecules that are important in computing statistical opacities for energy balance and for radiative rate calculations in the Sun (except perhaps for sunspots). Because many of these bands are incompletely analyzed in the laboratory, the energy levels are not well enough known to predict wavelengths accurately for spectrum synthesis and for detailed comparison with the observations.

  3. Development of a patient-specific model for calculation of pulmonary function

    NASA Astrophysics Data System (ADS)

    Zhong, Hualiang; Ding, Mingyue; Movsas, Benjamin; Chetty, Indrin J.

    2011-06-01

    The purpose of this paper is to develop a patient-specific finite element model (FEM) to calculate the pulmonary function of lung cancer patients for evaluation of radiation treatment. The lung model was created with an in-house developed FEM software with region-specific parameters derived from a four-dimensional CT (4DCT) image. The model was used first to calculate changes in air volume and elastic stress in the lung, and then to calculate regional compliance defined as the change in air volume corrected by its associated stress. The results have shown that the resultant compliance images can reveal the regional elastic property of lung tissue, and could be useful for radiation treatment planning and assessment.

  4. Modification method of numerical calculation of heat flux over dome based on turbulence models

    NASA Astrophysics Data System (ADS)

    Zhang, Daijun; Luo, Haibo; Zhang, Junchao; Zhang, Xiangyue

    2016-10-01

    For the optical guidance system flying at low altitude and high speed, the calculation of turbulent convection heat transfer over its dome is the key to designing this kind of aircraft. RANS equations-based turbulence models are of high computation efficiency and their calculation accuracy can satisfy the engineering requirement. But for the calculation of the flow in the shock layer of strong entropy and pressure disturbances existence, especially of aerodynamic heat, some parameters in the RANS energy equation are necessary to be modified. In this paper, we applied turbulence models on the calculation of the heat flux over the dome of sphere-cone body at zero attack. Based on Billig's results, the shape and position of detached shock were extracted in flow field using multi-block structured grid. The thermal conductivity of the inflow was set to kinetic theory model with respect to temperature. When compared with Klein's engineering formula at the stagnation point, we found that the results of turbulent models were larger. By analysis, we found that the main reason of larger values was the interference from entropy layer to boundary layer. Then thermal conductivity of inflow was assigned a fixed value as equivalent thermal conductivity in order to compensate the overestimate of the turbulent kinetic energy. Based on the SST model, numerical experiments showed that the value of equivalent thermal conductivity was only related with the Mach number. The proposed modification approach of equivalent thermal conductivity for inflow in this paper could also be applied to other turbulence models.

  5. Hardware architecture for projective model calculation and false match refining using random sample consensus algorithm

    NASA Astrophysics Data System (ADS)

    Azimi, Ehsan; Behrad, Alireza; Ghaznavi-Ghoushchi, Mohammad Bagher; Shanbehzadeh, Jamshid

    2016-11-01

    The projective model is an important mapping function for the calculation of global transformation between two images. However, its hardware implementation is challenging because of a large number of coefficients with different required precisions for fixed point representation. A VLSI hardware architecture is proposed for the calculation of a global projective model between input and reference images and refining false matches using random sample consensus (RANSAC) algorithm. To make the hardware implementation feasible, it is proved that the calculation of the projective model can be divided into four submodels comprising two translations, an affine model and a simpler projective mapping. This approach makes the hardware implementation feasible and considerably reduces the required number of bits for fixed point representation of model coefficients and intermediate variables. The proposed hardware architecture for the calculation of a global projective model using the RANSAC algorithm was implemented using Verilog hardware description language and the functionality of the design was validated through several experiments. The proposed architecture was synthesized by using an application-specific integrated circuit digital design flow utilizing 180-nm CMOS technology as well as a Virtex-6 field programmable gate array. Experimental results confirm the efficiency of the proposed hardware architecture in comparison with software implementation.

  6. Modification of the Simons model for calculation of nonradial expansion plumes

    NASA Technical Reports Server (NTRS)

    Boyd, I. D.; Stark, J. P. W.

    1989-01-01

    The Simons model is a simple model for calculating the expansion plumes of rockets and thrusters and is a widely used engineering tool for the determination of spacecraft impingement effects. The model assumes that the density of the plume decreases radially from the nozzle exit. Although a high degree of success has been achieved in modeling plumes with moderate Mach numbers, the accuracy obtained under certain conditions is unsatisfactory. A modification made to the model that allows effective description of nonradial behavior in plumes is presented, and the conditions under which its use is preferred are prescribed.

  7. Recoilless fractions calculated with the nearest-neighbour interaction model by Kagan and Maslow

    NASA Astrophysics Data System (ADS)

    Kemerink, G. J.; Pleiter, F.

    1986-08-01

    The recoilless fraction is calculated for a number of Mössbauer atoms that are natural constituents of HfC, TaC, NdSb, FeO, NiO, EuO, EuS, EuSe, EuTe, SnTe, PbTe and CsF. The calculations are based on a model developed by Kagan and Maslow for binary compounds with rocksalt structure. With the exception of SnTe and, to a lesser extent, PbTe, the results are in reasonable agreement with the available experimental data and values derived from other models.

  8. Calculation of optical and electronic properties of modeled titanium dioxide films of different densities.

    PubMed

    Turowski, Marcus; Amotchkina, Tatiana; Ehlers, Henrik; Jupé, Marco; Ristau, Detlev

    2014-02-01

    The electronic and optical properties of TiO2 atomic structures representing simulated thin films have been investigated using density functional theory. Suitable model parameters and system sizes have been identified in advance by validation of the results with experimental data. Dependencies of the electronic band gap and the refractive index have been calculated as a function of film density. The results of the performed calculations have been compared to characterized optical properties of titania single layers deposited using different coating techniques. The modeled dependencies are consistent with experimental observations, and absolute magnitudes of simulated values are in agreement with measured optical data.

  9. A Computer Code for the Calculation of NLTE Model Atmospheres Using ALI

    NASA Astrophysics Data System (ADS)

    Kubát, J.

    2003-01-01

    A code for calculation of NLTE model atmospheres in hydrostatic and radiative equilibrium in either spherically symmetric or plane parallel geometry is described. The method of accelerated lambda iteration is used for the treatment of radiative transfer. Other equations (hydrostatic equilibrium, radiative equilibrium, statistical equilibrium, optical depth) are solved using the Newton-Raphson method (linearization). In addition to the standard output of the model atmosphere (dependence of temperature, density, radius, and population numbers on column mass depth) the code enables optional additional outputs for better understanding of processes in the atmosphere. The code is able to calculate model atmospheres of plane-parallel and spherically symmetric semi-infinite atmospheres as well as models of plane parallel and spherical shells. There is also an option for solution of a restricted problem of a NLTE line formation (solution of radiative transfer and statistical equilibrium for a given model atmosphere). The overall scheme of the code is presented.

  10. A model of the circulating blood for use in radiation dose calculations

    SciTech Connect

    Hui, T.E.; Poston, J.W. Sr.

    1987-12-31

    Over the last few years there has been a significant increase in the use of radionuclides in leukocyte, platelet, and erythrocyte imaging procedures. Radiopharmaceutical used in these procedures are confined primarily to the blood, have short half-lives, and irradiate the body as they move through the circulatory system. There is a need for a model, to describe the circulatory system in an adult human, which can be used to provide radiation absorbed dose estimates for these procedures. A simplified model has been designed assuming a static circulatory system and including major organs of the body. The model has been incorporated into the MIRD phantom and calculations have been completed for a number of exposure situations and radionuclides of clinical importance. The model will be discussed in detail and results of calculations using this model will be presented.

  11. A model of the circulating blood for use in radiation dose calculations

    SciTech Connect

    Hui, T.E.; Poston, J.W. Sr.

    1987-01-01

    Over the last few years there has been a significant increase in the use of radionuclides in leukocyte, platelet, and erythrocyte imaging procedures. Radiopharmaceutical used in these procedures are confined primarily to the blood, have short half-lives, and irradiate the body as they move through the circulatory system. There is a need for a model, to describe the circulatory system in an adult human, which can be used to provide radiation absorbed dose estimates for these procedures. A simplified model has been designed assuming a static circulatory system and including major organs of the body. The model has been incorporated into the MIRD phantom and calculations have been completed for a number of exposure situations and radionuclides of clinical importance. The model will be discussed in detail and results of calculations using this model will be presented.

  12. Photon and electron absorbed fractions calculated from a new tomographic rat model

    NASA Astrophysics Data System (ADS)

    Peixoto, P. H. R.; Vieira, J. W.; Yoriyaz, H.; Lima, F. R. A.

    2008-10-01

    This paper describes the development of a tomographic model of a rat developed using CT images of an adult male Wistar rat for radiation transport studies. It also presents calculations of absorbed fractions (AFs) under internal photon and electron sources using this rat model and the Monte Carlo code MCNP. All data related to the developed phantom were made available for the scientific community as well as the MCNP inputs prepared for AF calculations in that phantom and also all estimated AF values, which could be used to obtain absorbed dose estimates—following the MIRD methodology—in rats similar in size to the presently developed model. Comparison between the rat model developed in this study and that published by Stabin et al (2006 J. Nucl. Med. 47 655) for a 248 g Sprague-Dawley rat, as well as between the estimated AF values for both models, has been presented.

  13. A dynamic model to calculate cadmium concentrations in bovine tissues from basic soil characteristics.

    PubMed

    Waegeneers, Nadia; Ruttens, Ann; De Temmerman, Ludwig

    2011-06-15

    A chain model was developed to calculate the flow of cadmium from soil, drinking water and feed towards bovine tissues. The data used for model development were tissue Cd concentrations of 57 bovines and Cd concentrations in soil, feed and drinking water, sampled at the farms were the bovines were reared. Validation of the model occurred with a second set of measured tissue Cd concentrations of 93 bovines of which age and farm location were known. The exposure part of the chain model consists of two parts: (1) a soil-plant transfer model, deriving cadmium concentrations in feed from basic soil characteristics (pH and organic matter content) and soil Cd concentrations, and (2) bovine intake calculations, based on typical feed and water consumption patterns for cattle and Cd concentrations in feed and drinking water. The output of the exposure model is an animal-specific average daily Cd intake, which is then taken forward to a kinetic uptake model in which time-dependent Cd concentrations in bovine tissues are calculated. The chain model was able to account for 65%, 42% and 32% of the variation in observed kidney, liver and meat Cd concentrations in the validation study.

  14. Propagation of Uncertainty in System Parameters of a LWR Model by Sampling MCNPX Calculations - Burnup Analysis

    NASA Astrophysics Data System (ADS)

    Campolina, Daniel de A. M.; Lima, Claubia P. B.; Veloso, Maria Auxiliadora F.

    2014-06-01

    For all the physical components that comprise a nuclear system there is an uncertainty. Assessing the impact of uncertainties in the simulation of fissionable material systems is essential for a best estimate calculation that has been replacing the conservative model calculations as the computational power increases. The propagation of uncertainty in a simulation using a Monte Carlo code by sampling the input parameters is recent because of the huge computational effort required. In this work a sample space of MCNPX calculations was used to propagate the uncertainty. The sample size was optimized using the Wilks formula for a 95th percentile and a two-sided statistical tolerance interval of 95%. Uncertainties in input parameters of the reactor considered included geometry dimensions and densities. It was showed the capacity of the sampling-based method for burnup when the calculations sample size is optimized and many parameter uncertainties are investigated together, in the same input.

  15. A model to calculate the induced dose rate around an 18 MV ELEKTA linear accelerator.

    PubMed

    Perrin, Bruce; Walker, Anne; Mackay, Ranald

    2003-03-07

    The dose rate due to activity induced by (gamma, n) reactions around an ELEKTA Precise accelerator running at 18 MV is reported. A model to calculate the induced dose rate for a variety of working practices has been derived and compared to the measured values. From this model, the dose received by the staff using the machine can be estimated. From measured dose rates at the face of the linear accelerator for a 10 x 10 cm2 jaw setting at 18 MV an activation coefficient per MU was derived for each of the major activation products. The relative dose rates at points around the linac head, for different energy and jaw settings, were measured. Dose rates adjacent to the patient support system and portal imager were also measured. A model to calculate the dose rate at these points was derived, and compared to those measured over a typical working week. The model was then used to estimate the maximum dose to therapists for the current working schedule on this machine. Calculated dose rates at the linac face agreed to within +/- 12% of those measured over a week, with a typical dose rate of 4.5 microSv h(-1) 2 min after the beam has stopped. The estimated maximum annual whole body dose for a treatment therapist, with the machine treating at only 18 MV, for 60000 MUs per week was 2.5 mSv. This compares well with value of 2.9 mSv published for a Clinac 21EX. A model has been derived to calculate the dose from the four dominant activation products of an ELEKTA Precise 18 MV linear accelerator. This model is a useful tool to calculate the induced dose rate around the treatment head. The model can be used to estimate the dose to the staff for typical working patterns.

  16. Monte Carlo calculations of thermodynamic properties of alloys in the case of the surrounded atom model

    SciTech Connect

    Bichara, C.; Bergman, C.; Mathieu, J.-C.

    1985-01-01

    Monte Carlo calculations are carried out to give exact values of some thermodynamic properties of alloys. The calculations are performed within the framework of the surrounded atom model the main assumptions of which are: quasilattice structure of the alloy, nearest neighbour interactions, description of the configuration in terms of ''surrounded atoms''. The results are then compared wit those obtained using current approximations: the Bragg-Williams treatment and the quasichemical treatment. This work enables the authors to generalize the previous conclusions drawn in the study of the regular solution model. In every case, whatever the sign of the interactions (ordering or clustering tendency) Monte Carlo calculations yield a local order that both approximations fail to reproduce. In order to compare the calculations with experimental data, Cowley's short range order parameter is calculated by Monte Carlo and by the approximate methods (the parameters of the surrounded atom model are derived from thermodynamic data). The Monte Carlo values compare better than the quasichemical ones with the data obtained by X-ray or neutron diffraction in three actual systems.

  17. Space Radiation Dose Calculations for the Space Experiment Matroshka-R Modelling Conditions

    NASA Astrophysics Data System (ADS)

    Shurshakov, Vyacheslav; Kartashov, Dmitrij; Tolochek, Raisa

    Space radiation dose calculations for the space experiment Matroshka-R modelling conditions are presented in the report. The experiment has been carried out onboard the ISS from 2004 to 2014. Dose measurements were realized both outside the ISS on the outer surface of the Service Module with the MTR-facility and in the ISS compartments with anthropomorphic and spherical phantoms, and the protective curtain facility. Newly applied approach to calculate the shielding probability functions for complex shape objects is used when the object surface is composed from a set of the disjoint adjacent triangles that fully cover the surface. Using the simplified Matroshka-R shielding geometry models of the space station compartments the space ionizing radiation dose distributions in tissue-equivalent spherical and anthropomorphic phantoms, and for an additional shielding installed in the compartment are calculated. There is good agreement between the data obtained in the experiment and calculated ones within an experiment accuracy of about 10%. Thus the calculation method used has been successfully verified with the Matroshka-R experiment data. The suggested method can be recommended for modelling of radiation loads on the crewmembers, and estimation of the additional shielding efficiency in space station compartments, and also for pre-flight estimations of radiation shielding in future space missions.

  18. Continuum solvent model calculations of alamethicin-membrane interactions: thermodynamic aspects.

    PubMed Central

    Kessel, A; Cafiso, D S; Ben-Tal, N

    2000-01-01

    Alamethicin is a 20-amino acid antibiotic peptide that forms voltage-gated ion channels in lipid bilayers. Here we report calculations of its association free energy with membranes. The calculations take into account the various free-energy terms that contribute to the transfer of the peptide from the aqueous phase into bilayers of different widths. The electrostatic and nonpolar contributions to the solvation free energy are calculated using continuum solvent models. The contributions from the lipid perturbation and membrane deformation effects and the entropy loss associated with peptide immobilization in the bilayer are estimated from a statistical thermodynamic model. The calculations were carried out using two classes of experimentally observed conformations, both of which are helical: the NMR and the x-ray crystal structures. Our calculations show that alamethicin is unlikely to partition into bilayers in any of the NMR conformations because they have uncompensated backbone hydrogen bonds and their association with the membrane involves a large electrostatic solvation free energy penalty. In contrast, the x-ray conformations provide enough backbone hydrogen bonds for the peptide to associate with bilayers. We tested numerous transmembrane and surface orientations of the peptide in bilayers, and our calculations indicate that the most favorable orientation is transmembrane, where the peptide protrudes approximately 4 A into the water-membrane interface, in very good agreement with electron paramagnetic resonance and oriented circular dichroism measurements. The calculations were carried out using two alamethicin isoforms: one with glutamine and the other with glutamate in the 18th position. The calculations indicate that the two isoforms have similar membrane orientations and that their insertion into the membrane is likely to involve a 2-A deformation of the bilayer, again, in good agreement with experimental data. The implications of the results for the

  19. Calculating osmotic pressure of glucose solutions according to ASOG model and measuring it with air humidity osmometry.

    PubMed

    Wei, Guocui; Zhan, Tingting; Zhan, Xiancheng; Yu, Lan; Wang, Xiaolan; Tan, Xiaoying; Li, Chengrong

    2016-09-01

    The osmotic pressure of glucose solution at a wide concentration range was calculated using ASOG model and experimentally determined by our newly reported air humidity osmometry. The measurements from air humidity osmometry were compared with the well-established freezing point osmometry and ASOG model calculations at low concentrations and with only ASOG model calculations at high concentrations where no standard experimental method could serve as a reference for comparison. Results indicate that air humidity osmometry measurements are comparable to ASOG model calculations at a wide concentration range, while at low concentrations freezing point osmometry measurements provide better comparability with ASOG model calculations.

  20. SAMPLE AOR CALCULATION USING ANSYS PARAMETRIC MODEL FOR TANK SST-AY

    SciTech Connect

    JULYK, L.J.; MACKEY, T.C.

    2003-06-19

    This document documents the ANSYS parametric model for double-shell tank AY and provides sample calculation for analysis-of-record mechanical load conditions. The purpose of this calculation is to provide a sample analysis of the DST-AY tanks based on AOR loads, plus loads identified in the Statement of Work (SOW) for CHG contract 92879. This is not an analysis. Instead, the present calculation utilizes the parametric model generated for the double shell tank DST-AY, which is based on Buyer-supplied as-built drawings and information for the analyses of record (AOR) for Double-Shell Tanks (DSTs), encompassing the existing tank load conditions, and evaluates stresses and deformations throughout the tank and surrounding soil mass.

  1. A finite element method for shear stresses calculation in composite blade models

    NASA Astrophysics Data System (ADS)

    Paluch, B.

    1991-09-01

    A finite-element method is developed for accurately calculating shear stresses in helicopter blade models, induced by torsion and shearing forces. The method can also be used to compute the equivalent torsional stiffness of the section, their transverse shear coefficient, and the position of their center of torsion. A grid generator method which is a part of the calculation program is also described and used to discretize the sections quickly and to condition the grid data reliably. The finite-element method was validated on a few sections composed of isotropic materials and was then applied to a blade model sections made of composite materials. Good agreement was obtained between the calculated and experimental data.

  2. Spin-splitting calculation for zincblende semiconductors using an atomic bond-orbital model.

    PubMed

    Kao, Hsiu-Fen; Lo, Ikai; Chiang, Jih-Chen; Chen, Chun-Nan; Wang, Wan-Tsang; Hsu, Yu-Chi; Ren, Chung-Yuan; Lee, Meng-En; Wu, Chieh-Lung; Gau, Ming-Hong

    2012-10-17

    We develop a 16-band atomic bond-orbital model (16ABOM) to compute the spin splitting induced by bulk inversion asymmetry in zincblende materials. This model is derived from the linear combination of atomic-orbital (LCAO) scheme such that the characteristics of the real atomic orbitals can be preserved to calculate the spin splitting. The Hamiltonian of 16ABOM is based on a similarity transformation performed on the nearest-neighbor LCAO Hamiltonian with a second-order Taylor expansion k at the Γ point. The spin-splitting energies in bulk zincblende semiconductors, GaAs and InSb, are calculated, and the results agree with the LCAO and first-principles calculations. However, we find that the spin-orbit coupling between bonding and antibonding p-like states, evaluated by the 16ABOM, dominates the spin splitting of the lowest conduction bands in the zincblende materials.

  3. Improvement of low energy atmospheric neutrino flux calculation using the JAM nuclear interaction model

    SciTech Connect

    Honda, M.; Kajita, T.; Kasahara, K.; Midorikawa, S.

    2011-06-15

    We present the calculation of the atmospheric neutrino fluxes with an interaction model named JAM, which is used in PHITS (Particle and Heavy-Ion Transport code System) [K. Niita et al., Radiation Measurements 41, 1080 (2006).]. The JAM interaction model agrees with the HARP experiment [H. Collaboration, Astropart. Phys. 30, 124 (2008).] a little better than DPMJET-III[S. Roesler, R. Engel, and J. Ranft, arXiv:hep-ph/0012252.]. After some modifications, it reproduces the muon flux below 1 GeV/c at balloon altitudes better than the modified DPMJET-III, which we used for the calculation of atmospheric neutrino flux in previous works [T. Sanuki, M. Honda, T. Kajita, K. Kasahara, and S. Midorikawa, Phys. Rev. D 75, 043005 (2007).][M. Honda, T. Kajita, K. Kasahara, S. Midorikawa, and T. Sanuki, Phys. Rev. D 75, 043006 (2007).]. Some improvements in the calculation of atmospheric neutrino flux are also reported.

  4. Nonadditivity in moments ofinertia of high-K multiquasiparticle bands

    NASA Astrophysics Data System (ADS)

    Zhang, Zhen-Hua; Wu, Xi; Lei, Yi-An; Zeng, Jin-Yan

    2008-09-01

    The experimental high-K 2- and 3-quasiparticle bands of well deformed rare-earth nuclei are analyzed. It is found that there exists significant nonadditivity in moments of inertia (MOIs) for these bands. The microscopic mechanism of the rotational bands is investigated by the particle number conserving (PNC) method in the frame of cranked shell model with pairing, in which the blocking effects are taken care of exactly. The experimental rotational frequency dependence of these bands is well reproduced in PNC calculations. The nonadditivity in MOIs originates from the destructive interference between Pauli blocking effects. Supported by National Natural Science Foundation of China (10675006, 10675007, 10435010)

  5. Two-dimensional model calculations of stratospheric HCl and ClO

    NASA Astrophysics Data System (ADS)

    Miller, C.; Steed, J. M.; Filkin, D. L.; Jesson, J. P.

    1980-12-01

    A two-dimensional atmospheric model has been developed to take into account latitudinal and seasonal effects in the calculation of atmospheric constituent profiles. The model includes 30 active chemical species and all chemical reactions and reactions rates applicable to them for the domain from pole to pole and 0 to 55 km height; mean meridional circulation is parameterized using the advective circulation field of Murgatroyd and Singleton (1961), while eddy diffusion parameterization is basically that of Luther (1974) and spatial derivatives for transport are approximated by a second-order finite difference representation. Time-dependent integration of the model results in latitudinal variations of the N2O volume mixing ratio, CFCl3, CF2Cl2 and CH4, column ozone and HNO3 in agreement with available measurements, whereas the agreement between calculated and measured HCl and ClO profiles is found to be no better than that obtained with one-dimensional models.

  6. Calculations of inflaton decays and reheating: with applications to no-scale inflation models

    SciTech Connect

    Ellis, John; Garcia, Marcos A.G.; Olive, Keith A.; Nanopoulos, Dimitri V. E-mail: garciagarcia@physics.umn.edu E-mail: olive@physics.umn.edu

    2015-07-01

    We discuss inflaton decays and reheating in no-scale Starobinsky-like models of inflation, calculating the effective equation-of-state parameter, w, during the epoch of inflaton decay, the reheating temperature, T{sub reh}, and the number of inflationary e-folds, N{sub *}, comparing analytical approximations with numerical calculations. We then illustrate these results with applications to models based on no-scale supergravity and motivated by generic string compactifications, including scenarios where the inflaton is identified as an untwisted-sector matter field with direct Yukawa couplings to MSSM fields, and where the inflaton decays via gravitational-strength interactions. Finally, we use our results to discuss the constraints on these models imposed by present measurements of the scalar spectral index n{sub s} and the tensor-to-scalar perturbation ratio r, converting them into constraints on N{sub *}, the inflaton decay rate and other parameters of specific no-scale inflationary models.

  7. A radiation model for calculating atmospheric corrections to remotely sensed infrared measurements, version 2

    NASA Technical Reports Server (NTRS)

    Boudreau, R. D.

    1973-01-01

    A numerical model is developed which calculates the atmospheric corrections to infrared radiometric measurements due to absorption and emission by water vapor, carbon dioxide, and ozone. The corrections due to aerosols are not accounted for. The transmissions functions for water vapor, carbon dioxide, and water are given. The model requires as input the vertical distribution of temperature and water vapor as determined by a standard radiosonde. The vertical distribution of carbon dioxide is assumed to be constant. The vertical distribution of ozone is an average of observed values. The model also requires as input the spectral response function of the radiometer and the nadir angle at which the measurements were made. A listing of the FORTRAN program is given with details for its use and examples of input and output listings. Calculations for four model atmospheres are presented.

  8. Monte Carlo calculation model for heat radiation of inclined cylindrical flames and its application

    NASA Astrophysics Data System (ADS)

    Chang, Zhangyu; Ji, Jingwei; Huang, Yuankai; Wang, Zhiyi; Li, Qingjie

    2017-02-01

    Based on Monte Carlo method, a calculation model and its C++ calculating program for radiant heat transfer from an inclined cylindrical flame are proposed. In this model, the total radiation energy of the inclined cylindrical flame is distributed equally among a certain number of energy beams, which are emitted randomly from the flame surface. The incident heat flux on a surface is calculated by counting the number of energy beams which could reach the surface. The paper mainly studies the geometrical evaluation criterion for validity of energy beams emitted by inclined cylindrical flames and received by other surfaces. Compared to Mudan's formula results for a straight cylinder or a cylinder with 30° tilt angle, the calculated view factors range from 0.0043 to 0.2742 and the predicted view factors agree well with Mudan's results. The changing trend and values of incident heat fluxes computed by the model is consistent with experimental data measured by Rangwala et al. As a case study, incident heat fluxes on a gasoline tank, both the side and the top surface are calculated by the model. The heat radiation is from an inclined cylindrical flame generated by another 1000 m3 gasoline tank 4.6 m away from it. The cone angle of the flame to the adjacent oil tank is 45° and the polar angle is 0°. The top surface and the side surface of the tank are divided into 960 and 5760 grids during the calculation, respectively. The maximum incident heat flux on the side surface is 39.64 and 51.31 kW/m2 on the top surface. Distributions of the incident heat flux on the surface of the oil tank and on the ground around the fire tank are obtained, too.

  9. The calculation of theoretical chromospheric models and the interpretation of solar spectra from rockets and spacecraft

    NASA Technical Reports Server (NTRS)

    Avrett, E. H.

    1985-01-01

    Solar chromospheric models are described. The models included are based on the observed spectrum, and on the assumption of hydrostatic equilibrium. The calculations depend on realistic solutions of the radiative transfer and statistical equilibrium equations for optically thick lines and continua, and on including the effects of large numbers of lines throughout the spectrum. Although spectroheliograms show that the structure of the chromosphere is highly complex, one-dimensional models of particular features are reasonably successful in matching observed spectra. Such models were applied to the interpretation of chromospheric observations.

  10. Improved Ionospheric Electrodynamic Models and Application to Calculating Joule Heating Rates

    NASA Technical Reports Server (NTRS)

    Weimer, D. R.

    2004-01-01

    Improved techniques have been developed for empirical modeling of the high-latitude electric potentials and magnetic field aligned currents (FAC) as a function of the solar wind parameters. The FAC model is constructed using scalar magnetic Euler potentials, and functions as a twin to the electric potential model. The improved models have more accurate field values as well as more accurate boundary locations. Non-linear saturation effects in the solar wind-magnetosphere coupling are also better reproduced. The models are constructed using a hybrid technique, which has spherical harmonic functions only within a small area at the pole. At lower latitudes the potentials are constructed from multiple Fourier series functions of longitude, at discrete latitudinal steps. It is shown that the two models can be used together in order to calculate the total Poynting flux and Joule heating in the ionosphere. An additional model of the ionospheric conductivity is not required in order to obtain the ionospheric currents and Joule heating, as the conductivity variations as a function of the solar inclination are implicitly contained within the FAC model's data. The models outputs are shown for various input conditions, as well as compared with satellite measurements. The calculations of the total Joule heating are compared with results obtained by the inversion of ground-based magnetometer measurements. Like their predecessors, these empirical models should continue to be a useful research and forecast tools.

  11. Prediction of sun protection factors by calculation of transmissions with a calibrated step film model.

    PubMed

    Herzog, Bernd

    2002-01-01

    Measurements of in vitro sun protection factors (SPFs) are a common way of assessing sunscreen formulations at the stage of screening. The aim of the present investigation is to provide an alternative tool for the estimation of SPF values using a calculation based on the UV spectroscopic properties of the individual UV absorbers. As with in vitro measurements, the crucial step is to work out realistic values of transmissions of UV light through a film of the sunscreen formulation in the important spectral range between 290 and 400 nm. Once these transmissions are given, the SPF can be calculated. Since the human skin is an inhomogeneous substrate, a step film model for the calculation of such transmissions had been proposed by J.J. O'Neill. The step film geometry in this model is a function of two parameters that characterize the fraction of the thin and thick parts of the film and their difference in thickness. The transmissions and therefore the SPF are sensitive functions of the step film parameters. In order to use the model for the prediction of realistic SPF values, the step film parameters are calibrated using three sunscreen standard formulations with well-known in vivo SPF. A satisfactory correlation of in vivo SPF values and SPF values calculated with the calibrated step film model using an additional 36 different sunscreen formulations (in vivo SPF values between 3 and 36) is demonstrated.

  12. The 'Little Ice Age' - Northern Hemisphere average observations and model calculations

    NASA Technical Reports Server (NTRS)

    Robock, A.

    1979-01-01

    Numerical energy balance climate model calculations of the average surface temperature of the Northern Hemisphere for the past 400 years are compared with a new reconstruction of the past climate. Forcing with volcanic dust produces the best simulation, whereas expressing the solar constant as a function of the envelope of the sunspot number gives very poor results.

  13. Modeling of the Electro-Mechanical Response of Carbon Nanotubes: Molecular Dynamics and Transport Calculations

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexel; Anantram, M. P.; Maiti, Amitesh

    2003-01-01

    This paper presents viewgraphs on the modeling of the electromechanical response of carbon nanotubes, utilizing molecular dynamics and transport calculations. The topics include: 1) Simulations of the experiment; 2) Effect of diameter, length and temperature; and 3) Study of sp3 coordination-"The Table experiment".

  14. Optical model calculations of 14.6A GeV silicon fragmentation cross sections

    NASA Technical Reports Server (NTRS)

    Townsend, Lawrence W.; Khan, Ferdous; Tripathi, Ram K.

    1993-01-01

    An optical potential abrasion-ablation collision model is used to calculate hadronic dissociation cross sections for a 14.6 A GeV(exp 28) Si beam fragmenting in aluminum, tin, and lead targets. The frictional-spectator-interaction (FSI) contributions are computed with two different formalisms for the energy-dependent mean free path. These estimates are compared with experimental data and with estimates obtained from semi-empirical fragmentation models commonly used in galactic cosmic ray transport studies.

  15. Considerations on the acoustic energy radiated by toothed gears. [model for calculating noise intensity

    NASA Technical Reports Server (NTRS)

    Popinceanu, N. G.; Kremmer, I.

    1974-01-01

    A mechano-acoustic model is reported for calculating acoustic energy radiated by a working gear. According to this model, a gear is an acoustic coublet formed of the two wheels. The wheel teeth generate cylindrical acoustic waves while the front surfaces of the teeth behave like vibrating pistons. Theoretical results are checked experimentally and good agreement is obtained with open gears. The experiments show that the air noise effect is negligible as compared with the structural noise transmitted to the gear box.

  16. Modelling a model?!! Prediction of observed and calculated daily pan evaporation in New Mexico, U.S.A.

    NASA Astrophysics Data System (ADS)

    Beriro, D. J.; Abrahart, R. J.; Nathanail, C. P.

    2012-04-01

    Data-driven modelling is most commonly used to develop predictive models that will simulate natural processes. This paper, in contrast, uses Gene Expression Programming (GEP) to construct two alternative models of different pan evaporation estimations by means of symbolic regression: a simulator, a model of a real-world process developed on observed records, and an emulator, an imitator of some other model developed on predicted outputs calculated by that source model. The solutions are compared and contrasted for the purposes of determining whether any substantial differences exist between either option. This analysis will address recent arguments over the impact of using downloaded hydrological modelling datasets originating from different initial sources i.e. observed or calculated. These differences can be easily be overlooked by modellers, resulting in a model of a model developed on estimations derived from deterministic empirical equations and producing exceptionally high goodness-of-fit. This paper uses different lines-of-evidence to evaluate model output and in so doing paves the way for a new protocol in machine learning applications. Transparent modelling tools such as symbolic regression offer huge potential for explaining stochastic processes, however, the basic tenets of data quality and recourse to first principles with regard to problem understanding should not be trivialised. GEP is found to be an effective tool for the prediction of observed and calculated pan evaporation, with results supported by an understanding of the records, and of the natural processes concerned, evaluated using one-at-a-time response function sensitivity analysis. The results show that both architectures and response functions are very similar, implying that previously observed differences in goodness-of-fit can be explained by whether models are applied to observed or calculated data.

  17. A mathematical model of the nine-month pregnant woman for calculating specific absorbed fractions

    SciTech Connect

    Watson, E.E.; Stabin, M.G.

    1986-01-01

    Existing models that allow calculation of internal doses from radionuclide intakes by both men and women are based on a mathematical model of Reference Man. No attempt has been made to allow for the changing geometric relationships that occur during pregnancy which would affect the doses to the mother's organs and to the fetus. As pregnancy progresses, many of the mother's abdominal organs are repositioned, and their shapes may be somewhat changed. Estimation of specific absorbed fractions requires that existing mathematical models be modified to accommodate these changes. Specific absorbed fractions for Reference Woman at three, six, and nine months of pregnancy should be sufficient for estimating the doses to the pregnant woman and the fetus. This report describes a model for the pregnant woman at nine months. An enlarged uterus was incorporated into a model for Reference Woman. Several abdominal organs as well as the exterior of the trunk were modified to accommodate the new uterus. This model will allow calculation of specific absorbed fractions for the fetus from photon emitters in maternal organs. Specific absorbed fractions for the repositioned maternal organs from other organs can also be calculated. 14 refs., 2 figs.

  18. Characterization of protein folding by a Φ-value calculation with a statistical-mechanical model

    PubMed Central

    Wako, Hiroshi; Abe, Haruo

    2016-01-01

    The Φ-value analysis approach provides information about transition-state structures along the folding pathway of a protein by measuring the effects of an amino acid mutation on folding kinetics. Here we compared the theoretically calculated Φ values of 27 proteins with their experimentally observed Φ values; the theoretical values were calculated using a simple statistical-mechanical model of protein folding. The theoretically calculated Φ values reflected the corresponding experimentally observed Φ values with reasonable accuracy for many of the proteins, but not for all. The correlation between the theoretically calculated and experimentally observed Φ values strongly depends on whether the protein-folding mechanism assumed in the model holds true in real proteins. In other words, the correlation coefficient can be expected to illuminate the folding mechanisms of proteins, providing the answer to the question of which model more accurately describes protein folding: the framework model or the nucleation-condensation model. In addition, we tried to characterize protein folding with respect to various properties of each protein apart from the size and fold class, such as the free-energy profile, contact-order profile, and sensitivity to the parameters used in the Φ-value calculation. The results showed that any one of these properties alone was not enough to explain protein folding, although each one played a significant role in it. We have confirmed the importance of characterizing protein folding from various perspectives. Our findings have also highlighted that protein folding is highly variable and unique across different proteins, and this should be considered while pursuing a unified theory of protein folding.

  19. A global average model of atmospheric aerosols for radiative transfer calculations

    NASA Technical Reports Server (NTRS)

    Toon, O. B.; Pollack, J. B.

    1976-01-01

    A global average model is proposed for the size distribution, chemical composition, and optical thickness of stratospheric and tropospheric aerosols. This aerosol model is designed to specify the input parameters to global average radiative transfer calculations which assume the atmosphere is horizontally homogeneous. The model subdivides the atmosphere at multiples of 3 km, where the surface layer extends from the ground to 3 km, the upper troposphere from 3 to 12 km, and the stratosphere from 12 to 45 km. A list of assumptions made in construction of the model is presented and discussed along with major model uncertainties. The stratospheric aerosol is modeled as a liquid mixture of 75% H2SO4 and 25% H2O, while the tropospheric aerosol consists of 60% sulfate and 40% soil particles above 3 km and of 50% sulfate, 35% soil particles, and 15% sea salt below 3 km. Implications and consistency of the model are discussed.

  20. Bonn potential and shell-model calculations for N=126 isotones

    SciTech Connect

    Coraggio, L.; Covello, A.; Gargano, A.; Itaco, N.; Kuo, T. T. S.

    1999-12-01

    We have performed shell-model calculations for the N=126 isotones {sup 210}Po, {sup 211}At, and {sup 212}Rn using a realistic effective interaction derived from the Bonn-A nucleon-nucleon potential by means of a G-matrix folded-diagram method. The calculated binding energies, energy spectra, and electromagnetic properties show remarkably good agreement with the experimental data. The results of this paper complement those of our previous study on neutron hole Pb isotopes, confirming that realistic effective interactions are now able to reproduce with quantitative accuracy the spectroscopic properties of complex nuclei. (c) 1999 The American Physical Society.

  1. Shell model calculation for Te and Sn isotopes in the vicinity of {sup 100}Sn

    SciTech Connect

    Yakhelef, A.; Bouldjedri, A.

    2012-06-27

    New Shell Model calculations for even-even isotopes {sup 104-108}Sn and {sup 106,108}Te, in the vicinity of {sup 100}Sn have been performed. The calculations have been carried out using the windows version of NuShell-MSU. The two body matrix elements TBMEs of the effective interaction between valence nucleons are obtained from the renormalized two body effective interaction based on G-matrix derived from the CD-bonn nucleon-nucleon potential. The single particle energies of the proton and neutron valence spaces orbitals are defined from the available spectra of lightest odd isotopes of Sb and Sn respectively.

  2. Radiation calculations on the base of atmospheric models from lidar sounding

    NASA Astrophysics Data System (ADS)

    Melnikova, Irina; Samulenkov, Dmitry; Sapunov, Maxim; Vasilyev, Alexander; Kuznetsov, Anatoly; Frolkis, Victor

    2017-02-01

    The results of lidar sounding in the Resource Center "Observatory of Environmental Safety" of the St. Petersburg University, Research Park, have been obtained in the center of St. Petersburg. Observations are accomplished during 12 hours on 5 March 2015, from 11 am till 11 pm. Four time periods are considered. Results of AERONET observations and retrieval at 4 stations around St. Petersburg region are considered in addition. Optical models of the atmosphere in day and night time are constructed from the lidar and AERONET observations and used for radiation calculation. The radiative divergence, transmitted and reflected irradiance and heating rate are calculated.

  3. Development of a New Shielding Model for JB-Line Dose Rate Calculations

    SciTech Connect

    Buckner, M.R.

    2001-08-09

    This report describes the shielding model development for the JB-Line Upgrade project. The product of this effort is a simple-to-use but accurate method of estimating the personnel dose expected for various operating conditions on the line. The current techniques for shielding calculations use transport codes such as ANISN which, while accurate for geometries which can be accurately approximated as one dimensional slabs, cylinders or spheres, fall short in calculating configurations in which two-or three-dimensional effects (e.g., streaming) play a role in the dose received by workers.

  4. A brief look at model-based dose calculation principles, practicalities, and promise

    PubMed Central

    Morrison, Hali; Cawston-Grant, Brie; Menon, Geetha V.

    2017-01-01

    Model-based dose calculation algorithms (MBDCAs) have recently emerged as potential successors to the highly practical, but sometimes inaccurate TG-43 formalism for brachytherapy treatment planning. So named for their capacity to more accurately calculate dose deposition in a patient using information from medical images, these approaches to solve the linear Boltzmann radiation transport equation include point kernel superposition, the discrete ordinates method, and Monte Carlo simulation. In this overview, we describe three MBDCAs that are commercially available at the present time, and identify guidance from professional societies and the broader peer-reviewed literature intended to facilitate their safe and appropriate use. We also highlight several important considerations to keep in mind when introducing an MBDCA into clinical practice, and look briefly at early applications reported in the literature and selected from our own ongoing work. The enhanced dose calculation accuracy offered by a MBDCA comes at the additional cost of modelling the geometry and material composition of the patient in treatment position (as determined from imaging), and the treatment applicator (as characterized by the vendor). The adequacy of these inputs and of the radiation source model, which needs to be assessed for each treatment site, treatment technique, and radiation source type, determines the accuracy of the resultant dose calculations. Although new challenges associated with their familiarization, commissioning, clinical implementation, and quality assurance exist, MBDCAs clearly afford an opportunity to improve brachytherapy practice, particularly for low-energy sources. PMID:28344608

  5. Algorithms and physical parameters involved in the calculation of model stellar atmospheres

    NASA Astrophysics Data System (ADS)

    Merlo, D. C.

    This contribution summarizes the Doctoral Thesis presented at Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba for the degree of PhD in Astronomy. We analyze some algorithms and physical parameters involved in the calculation of model stellar atmospheres, such as atomic partition functions, functional relations connecting gaseous and electronic pressure, molecular formation, temperature distribution, chemical compositions, Gaunt factors, atomic cross-sections and scattering sources, as well as computational codes for calculating models. Special attention is paid to the integration of hydrostatic equation. We compare our results with those obtained by other authors, finding reasonable agreement. We make efforts on the implementation of methods that modify the originally adopted temperature distribution in the atmosphere, in order to obtain constant energy flux throughout. We find limitations and we correct numerical instabilities. We integrate the transfer equation solving directly the integral equation involving the source function. As a by-product, we calculate updated atomic partition functions of the light elements. Also, we discuss and enumerate carefully selected formulae for the monochromatic absorption and dispersion of some atomic and molecular species. Finally, we obtain a flexible code to calculate model stellar atmospheres.

  6. The development of early pediatric models and their application to radiation absorbed dose calculations

    SciTech Connect

    Poston, J.W.

    1989-01-01

    This presentation will review and describe the development of pediatric phantoms for use in radiation dose calculations . The development of pediatric models for dose calculations essentially paralleled that of the adult. In fact, Snyder and Fisher at the Oak Ridge National Laboratory reported on a series of phantoms for such calculations in 1966 about two years before the first MIRD publication on the adult human phantom. These phantoms, for a newborn, one-, five-, ten-, and fifteen-year old, were derived from the adult phantom. The pediatric'' models were obtained through a series of transformations applied to the major dimensions of the adult, which were specified in a Cartesian coordinate system. These phantoms suffered from the fact that no real consideration was given to the influence of these mathematical transformations on the actual organ sizes in the other models nor to the relation of the resulting organ masses to those in humans of the particular age. Later, an extensive effort was invested in designing individual'' pediatric phantoms for each age based upon a careful review of the literature. Unfortunately, the phantoms had limited use and only a small number of calculations were made available to the user community. Examples of the phantoms, their typical dimensions, common weaknesses, etc. will be discussed.

  7. The development of early pediatric models and their application to radiation absorbed dose calculations

    SciTech Connect

    Poston, J.W.

    1989-12-31

    This presentation will review and describe the development of pediatric phantoms for use in radiation dose calculations . The development of pediatric models for dose calculations essentially paralleled that of the adult. In fact, Snyder and Fisher at the Oak Ridge National Laboratory reported on a series of phantoms for such calculations in 1966 about two years before the first MIRD publication on the adult human phantom. These phantoms, for a newborn, one-, five-, ten-, and fifteen-year old, were derived from the adult phantom. The ``pediatric`` models were obtained through a series of transformations applied to the major dimensions of the adult, which were specified in a Cartesian coordinate system. These phantoms suffered from the fact that no real consideration was given to the influence of these mathematical transformations on the actual organ sizes in the other models nor to the relation of the resulting organ masses to those in humans of the particular age. Later, an extensive effort was invested in designing ``individual`` pediatric phantoms for each age based upon a careful review of the literature. Unfortunately, the phantoms had limited use and only a small number of calculations were made available to the user community. Examples of the phantoms, their typical dimensions, common weaknesses, etc. will be discussed.

  8. Experience at Los Alamos with use of the optical model for applied nuclear data calculations

    SciTech Connect

    Young, P.G.

    1994-10-01

    While many nuclear models are important in calculations of nuclear data, the optical model usually provides the basic underpinning of analyses directed at data for applications. An overview is given here of experience in the Nuclear Theory and Applications Group at Los Alamos National Laboratory in the use of the optical model for calculations of nuclear cross section data for applied purposes. We consider the direct utilization of total, elastic, and reaction cross sections for neutrons, protons, deuterons, tritons, {sup 3}He and alpha particles in files of evaluated nuclear data covering the energy range of 0 to 200 MeV, as well as transmission coefficients for reaction theory calculations and neutron and proton wave functions direct-reaction and Feshbach-Kerman-Koonin analyses. Optical model codes such as SCAT and ECIS and the reaction theory codes COMNUC, GNASH FKK-GNASH, and DWUCK have primarily been used in our analyses. A summary of optical model parameterizations from past analyses at Los Alamos will be given, including detailed tabulations of the parameters for a selection of nuclei.

  9. Voxel2MCNP: software for handling voxel models for Monte Carlo radiation transport calculations.

    PubMed

    Hegenbart, Lars; Pölz, Stefan; Benzler, Andreas; Urban, Manfred

    2012-02-01

    Voxel2MCNP is a program that sets up radiation protection scenarios with voxel models and generates corresponding input files for the Monte Carlo code MCNPX. Its technology is based on object-oriented programming, and the development is platform-independent. It has a user-friendly graphical interface including a two- and three-dimensional viewer. A row of equipment models is implemented in the program. Various voxel model file formats are supported. Applications include calculation of counting efficiency of in vivo measurement scenarios and calculation of dose coefficients for internal and external radiation scenarios. Moreover, anthropometric parameters of voxel models, for instance chest wall thickness, can be determined. Voxel2MCNP offers several methods for voxel model manipulations including image registration techniques. The authors demonstrate the validity of the program results and provide references for previous successful implementations. The authors illustrate the reliability of calculated dose conversion factors and specific absorbed fractions. Voxel2MCNP is used on a regular basis to generate virtual radiation protection scenarios at Karlsruhe Institute of Technology while further improvements and developments are ongoing.

  10. Calculation of velocity structure functions for vortex models of isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Saffman, P. G.; Pullin, D. I.

    1996-11-01

    Velocity structure functions (up'-up)m are calculated for vortex models of isotropic turbulence. An integral operator is introduced which defines an isotropic two-point field from a volume-orientation average for a specific solution of the Navier-Stokes equations. Applying this to positive integer powers of the longitudinal velocity difference then gives explicit formulas for (up'-up)m as a function of order m and of the scalar separation r. Special forms of the operator are then obtained for rectilinear stretched vortex models of the Townsend-Lundgren type. Numerical results are given for the Burgers vortex and also for a realization of the Lundgren-strained spiral vortex, and comparison with experimental measurement is made. In an Appendix, we calculate values of the velocity-derivative moments for the Townsend-Burgers model.

  11. Model for Calculating Photosynthetic Photon Flux Densities in Forest Openings on Slopes.

    NASA Astrophysics Data System (ADS)

    Chen, Jing M.; Black, T. Andrew; Price, David T.; Carter, Reid E.

    1993-10-01

    A model has been developed to calculate the spatial distribution of the photosynthetic photon flux density (PPFD) in elliptical forest openings of given slopes and orientations. The PPFD is separated into direct and diffuse components. The direct component is calculated according to the opening and radiation geometries, and pathlength of the solar beam through the forest canopy. The diffuse component is obtained from the sky, tree, and landscape view factors. In this model, the distribution of foliage area with height and the effect of foliage clumping on both direct and diffuse radiation transmission are considered.The model has been verified using measurements for six quantum sensors (LI-COR Inc.) located at different positions in a small clear-cut (0.37 ha) in a 90-year-old western hemlock-Douglas fir forest.

  12. Molecular Modeling for Calculation of Mechanical Properties of Epoxies with Moisture Ingress

    NASA Technical Reports Server (NTRS)

    Clancy, Thomas C.; Frankland, Sarah J.; Hinkley, J. A.; Gates, T. S.

    2009-01-01

    Atomistic models of epoxy structures were built in order to assess the effect of crosslink degree, moisture content and temperature on the calculated properties of a typical representative generic epoxy. Each atomistic model had approximately 7000 atoms and was contained within a periodic boundary condition cell with edge lengths of about 4 nm. Four atomistic models were built with a range of crosslink degree and moisture content. Each of these structures was simulated at three temperatures: 300 K, 350 K, and 400 K. Elastic constants were calculated for these structures by monitoring the stress tensor as a function of applied strain deformations to the periodic boundary conditions. The mechanical properties showed reasonably consistent behavior with respect to these parameters. The moduli decreased with decreasing crosslink degree with increasing temperature. The moduli generally decreased with increasing moisture content, although this effect was not as consistent as that seen for temperature and crosslink degree.

  13. [A 3D FEM model for calculation of electromagnetic fields in transmagnetic stimulation].

    PubMed

    Seilwinder, J; Kammer, T; Andrä, W; Bellemann, M E

    2002-01-01

    We developed a realistic finite elements method (FEM) model of the brain for the calculation of electromagnetic fields in transcranial magnetic stimulation (TMS). A focal butterfly stimulation coil was X-rayed, parameterized, and modeled. The magnetic field components of the TMS coil were calculated and compared for validation to pointwise measurements of the magnetic fields with a Hall sensor. We found a mean deviation of 7.4% at an axial distance of 20 mm to the coil. A 3D brain model with the biological tissues of white and gray matter, bone, and cerebrospinal fluid was developed. At a current sweep of 1000 A in 120 microseconds, the maximum induced current density in gray matter was 177 mA/m2 and the strongest electric field gradient covered an area of 40 mm x 53 mm.

  14. A comparison of emission calculations using different modeled indicators with 1-year online measurements.

    PubMed

    Lengers, Bernd; Schiefler, Inga; Büscher, Wolfgang

    2013-12-01

    The overall measurement of farm level greenhouse gas (GHG) emissions in dairy production is not feasible, from either an engineering or administrative point of view. Instead, computational model systems are used to generate emission inventories, demanding a validation by measurement data. This paper tests the GHG calculation of the dairy farm-level optimization model DAIRYDYN, including methane (CH₄) from enteric fermentation and managed manure. The model involves four emission calculation procedures (indicators), differing in the aggregation level of relevant input variables. The corresponding emission factors used by the indicators range from default per cow (activity level) emissions up to emission factors based on feed intake, manure amount, and milk production intensity. For validation of the CH₄ accounting of the model, 1-year CH₄ measurements of an experimental free-stall dairy farm in Germany are compared to model simulation results. An advantage of this interdisciplinary study is given by the correspondence of the model parameterization and simulation horizon with the experimental farm's characteristics and measurement period. The results clarify that modeled emission inventories (2,898, 4,637, 4,247, and 3,600 kg CO₂-eq. cow(-1) year(-1)) lead to more or less good approximations of online measurements (average 3,845 kg CO₂-eq. cow(-1) year(-1) (±275 owing to manure management)) depending on the indicator utilized. The more farm-specific characteristics are used by the GHG indicator; the lower is the bias of the modeled emissions. Results underline that an accurate emission calculation procedure should capture differences in energy intake, owing to milk production intensity as well as manure storage time. Despite the differences between indicator estimates, the deviation of modeled GHGs using detailed indicators in DAIRYDYN from on-farm measurements is relatively low (between -6.4% and 10.5%), compared with findings from the literature.

  15. Construction of new skin models and calculation of skin dose coefficients for electron exposures

    NASA Astrophysics Data System (ADS)

    Yeom, Yeon Soo; Kim, Chan Hyeong; Nguyen, Thang Tat; Choi, Chansoo; Han, Min Cheol; Jeong, Jong Hwi

    2016-08-01

    The voxel-type reference phantoms of the International Commission on Radiological Protection (ICRP), due to their limited voxel resolutions, cannot represent the 50- μm-thick radiosensitive target layer of the skin necessary for skin dose calculations. Alternatively, in ICRP Publication 116, the dose coefficients (DCs) for the skin were calculated approximately, averaging absorbed dose over the entire skin depth of the ICRP phantoms. This approximation is valid for highly-penetrating radiations such as photons and neutrons, but not for weakly penetrating radiations like electrons due to the high gradient in the dose distribution in the skin. To address the limitation, the present study introduces skin polygon-mesh (PM) models, which have been produced by converting the skin models of the ICRP voxel phantoms to a high-quality PM format and adding a 50- μm-thick radiosensitive target layer into the skin models. Then, the constructed skin PM models were implemented in the Geant4 Monte Carlo code to calculate the skin DCs for external exposures of electrons. The calculated values were then compared with the skin DCs of the ICRP Publication 116. The results of the present study show that for high-energy electrons (≥ 1 MeV), the ICRP-116 skin DCs are, indeed, in good agreement with the skin DCs calculated in the present study. For low-energy electrons (< 1 MeV), however, significant discrepancies were observed, and the ICRP-116 skin DCs underestimated the skin dose as much as 15 times for some energies. Besides, regardless of the small tissue weighting factor of the skin ( w T = 0.01), the discrepancies in the skin dose were found to result in significant discrepancies in the effective dose, demonstarting that the effective DCs in ICRP-116 are not reliable for external exposure to electrons.

  16. Direct comparison between two {gamma}-alumina structural models by DFT calculations

    SciTech Connect

    Ferreira, Ary R.; Martins, Mateus J.F.; Konstantinova, Elena; Capaz, Rodrigo B.; Souza, Wladmir F.; Chiaro, Sandra Shirley X.; Leitao, Alexandre A.

    2011-05-15

    We selected two important {gamma}-alumina models proposed in literature, a spinel-like one and a nonspinel one, to perform a theoretical comparison. Using ab initio calculations, the models were compared regarding their thermodynamic stability, lattice vibrational modes, and bulk electronic properties. The spinel-like model is thermodynamically more stable by 4.55 kcal/mol per formula unit on average from 0 to 1000 K. The main difference between the models is in their simulated infrared spectra, with the spinel-like model showing the best agreement with experimental data. Analysis of the electronic density of states and charge transfer between atoms reveal the similarity on the electronic structure of the two models, despite some minor differences. -- Graphical abstract: Two {gamma}-Alumina bulk models selected in this work for a comparison focusing in the electronic structure and thermodynamics of the systems. (a) The nonspinel model and (b) the spinel-like model. Display Omitted Highlights: {yields} There is still a debate about the {gamma}-Alumina structure in the literature. {yields} Models of surfaces are constructed from different bulk structural models. {yields} Two models commonly used in the literate were selected and compared. {yields} One model reproduce better the experimental data. {yields} Both presented a similar electronic structure.

  17. The impact of nuclear mass models on r-process nucleosynthesis network calculations

    NASA Astrophysics Data System (ADS)

    Vaughan, Kelly

    2002-10-01

    An insight into understanding various nucleosynthesis processes is via modelling of the process with network calculations. My project focus is r-process network calculations where the r-process is nucleosynthesis via rapid neutron capture thought to take place in high entropy supernova bubbles. One of the main uncertainties of the simulations is the Nuclear Physics input. My project investigates the role that nuclear masses play in the resulting abundances. The code tecode, involves rapid (n,γ) capture reactions in competition with photodisintegration and β decay onto seed nuclei. In order to fully analyze the effects of nuclear mass models on the relative isotopic abundances, calculations were done from the network code, keeping the initial environmental parameters constant throughout. The supernova model investigated by Qian et al (1996) in which two r-processes, of high and low frequency with seed nucleus ^90Se and of fixed luminosity (fracL_ν_e(0)r_7(0)^2 ˜= 8.77), contribute to the nucleosynthesis of the heavier elements. These two r-processes, however, do not contribute equally to the total abundance observed. The total isotopic abundance produced from both events was therefore calculated using equation refabund. Y(H+L) = fracY(H)+fY(L)f+1 <~belabund where Y(H) denotes the relative isotopic abundance produced in the high frequency event, Y(L) corresponds to the low freqeuncy event and f is the ratio of high event matter to low event matter produced. Having established reliable, fixed parameters, the network code was run using data files containing parameters such as the mass excess, neutron separation energy, β decay rates and neutron capture rates based around three different nuclear mass models. The mass models tested are the HFBCS model (Hartree-Fock BCS) derived from first principles, the ETFSI-Q model (Extended Thomas-Fermi with Strutinsky Integral including shell Quenching) known for its particular successes in the replication of Solar System

  18. Lattice model for the calculation of the angle of repose from microscopic grain properties

    NASA Astrophysics Data System (ADS)

    Alonso, J. J.; Hovi, J.-P.; Herrmann, H. J.

    1998-07-01

    We study a simple lattice model for granular heap, which aims at calculating the macroscopic angle of repose from the microscopic grain properties. The model includes the effects of dissipation of the energy in the particle-particle collisions, and sticking of the particles to the pile. We obtain that, due to the discretization of the space, the angle of repose of the pile behaves as a complete devil's staircase as a function of the model parameters. We present numerical and analytical considerations which characterize the properties of this staircase.

  19. Calculated flame temperature (CFT) modeling of fuel mixture lower flammability limits.

    PubMed

    Zhao, Fuman; Rogers, William J; Mannan, M Sam

    2010-02-15

    Heat loss can affect experimental flammability limits, and it becomes indispensable to quantify flammability limits when apparatus quenching effect becomes significant. In this research, the lower flammability limits of binary hydrocarbon mixtures are predicted using calculated flame temperature (CFT) modeling, which is based on the principle of energy conservation. Specifically, the hydrocarbon mixture lower flammability limit is quantitatively correlated to its final flame temperature at non-adiabatic conditions. The modeling predictions are compared with experimental observations to verify the validity of CFT modeling, and the minor deviations between them indicated that CFT modeling can represent experimental measurements very well. Moreover, the CFT modeling results and Le Chatelier's Law predictions are also compared, and the agreement between them indicates that CFT modeling provides a theoretical justification for the Le Chatelier's Law.

  20. Calculations of isothermal elastic constants in the phase-field crystal model

    NASA Astrophysics Data System (ADS)

    Pisutha-Arnond, N.; Chan, V. W. L.; Elder, K. R.; Thornton, K.

    2013-01-01

    The phase-field crystal (PFC) method is an emerging coarse-grained atomistic model that can be used to predict material properties. In this work, we describe procedures for calculating isothermal elastic constants using the PFC method. We find that the conventional procedures used in the PFC method for calculating the elastic constants are inconsistent with those defined from a theory of thermoelasticity of stressed materials. Therefore we present an alternative procedure for calculating the elastic constants that are consistent with the definitions from the thermoelasticity theory, and show that the two procedures result in different predictions. Furthermore, we employ a thermodynamic formulation of stressed solids to quantify the differences between the elastic constants obtained from the two procedures in terms of thermodynamic quantities such as the pressure evaluated at the undeformed state.

  1. Thermal conductance of one-dimensional materials calculated with typical lattice models

    NASA Astrophysics Data System (ADS)

    Zhang, Chunyi; Kang, Wei; Wang, Jianxiang

    2016-11-01

    We show through calculations on typical lattice models that thermal conductance σ can well describe the near-equilibrium thermal transport property of one-dimensional materials of finite length, which presents a situation often met in the application of nanoscale devices. The σ generally contains contributions from the material itself and those from the thermal reservoirs. The intrinsic σ of the material, i.e., the one with the fewest external influences, can be efficiently calculated with the help of the "blackbody"-like nonreflective thermal reservoir, either through the nonequilibrium method or through the Green-Kubo-type formula. σ thus calculated would be helpful to guide the design of thermal management and heat control in nanoscale devices.

  2. Voxel model of individual cells and its implementation in microdosimetric calculations using GEANT4.

    PubMed

    Sihver, Lembit; Ni, Jie; Sun, Liang; Kong, Dong; Ren, Yuanyuan; Gu, Siyi

    2014-08-01

    Accurate dosimetric calculations at cellular and sub-cellular levels are crucial to obtain an increased understanding of the interactions of ionizing radiation with a cell and its nucleus and cytoplasm. Ion microbeams provide a superior opportunity to irradiate small biological samples, e.g., DNA, cells, and to compare their response to computer simulations. However, the phantoms used to simulate small biological samples at cellular levels are often simplified as simple volumes filled with water. As a first step to improve the situation in comparing measurements of cell response to ionizing radiation with model calculations, a realistic voxel model of a KB cell was constructed and used together with an already constructed geometry and tracking 4 (GEANT4) model of the horizontal microbeam line of the Centre d'Etudes Nucléaires de Bordeaux-Gradignan (CENBG) 3.5 MV Van de Graaf accelerator at the CENBG, France. The microbeam model was then implemented into GEANT4 for simulations of the average number of particles hitting an irradiated cell when a specified number of particles are produced in the beam line. The result shows that when irradiating the developed voxel model of a KB cell with 200 α particles, with a nominal energy of 3 MeV in the beam line and 2.34 MeV at the cell entrance, 100 particles hit the cell on average. The mean specific energy is 0.209 ± 0.019 Gy in the nucleus and 0.044 ± 0.001 Gy in the cytoplasm. These results are in agreement with previously published data, which indicates that this model could act as a reference model for dosimetric calculations of radiobiological experiments, and that the proposed method could be applied to build a cell model database.

  3. Distribution and budget of O3 in the troposphere calculated with a chemistry general circulation model

    NASA Astrophysics Data System (ADS)

    Roelofs, Geert-Jan; Lelieveld, Jos

    1995-10-01

    We present results of global tropospheric chemistry simulations with the coupled chemistry/atmospheric general circulation model ECHAM. Ultimately, the model will be used to study climate changes induced by anthropogenic influences on the chemistry of the atmosphere; meteorological parameters that are important for the chemistry, such as temperature, humidity, air motions, cloud and rain characteristics, and mixing processes are calculated on-line. The chemical part of the model describes background tropospheric CH4-CO-NOx-HOx photochemistry. Emissions of NO and CO, surface concentrations of CH4, and stratospheric concentrations of O3 and NOy are prescribed as boundary conditions. Calculations of the tropospheric O3 budget indicate that seasonal variabilities of the photochemical production and of injection from the stratosphere are represented realistically, although some aspects of the model still need improvement. Comparisons of calculated O3 surface concentrations and O3 profiles with available measurements show that the model reproduces O3 distributions in remote tropical and midlatitudinal sites. Also, the model matches typical profiles connected with deep convection in the Intertropical Convergence Zone (ITCZ). However, the model tends to underestimate O3 concentrations at the poles and in relatively polluted regions. These underestimates are caused by the poor representation of tropopause foldings in midlatitudes, which form a significant source of tropospheric O3 from the stratosphere, too weak transport to the poles, and the neglect of higher hydrocarbon chemistry. Also, mixing of polluted continental boundary layer air into the free troposphere may be underestimated. We discuss how these model deficiencies will be improved in the future.

  4. Fast Pencil Beam Dose Calculation for Proton Therapy Using a Double-Gaussian Beam Model.

    PubMed

    da Silva, Joakim; Ansorge, Richard; Jena, Rajesh

    2015-01-01

    The highly conformal dose distributions produced by scanned proton pencil beams (PBs) are more sensitive to motion and anatomical changes than those produced by conventional radiotherapy. The ability to calculate the dose in real-time as it is being delivered would enable, for example, online dose monitoring, and is therefore highly desirable. We have previously described an implementation of a PB algorithm running on graphics processing units (GPUs) intended specifically for online dose calculation. Here, we present an extension to the dose calculation engine employing a double-Gaussian beam model to better account for the low-dose halo. To the best of our knowledge, it is the first such PB algorithm for proton therapy running on a GPU. We employ two different parameterizations for the halo dose, one describing the distribution of secondary particles from nuclear interactions found in the literature and one relying on directly fitting the model to Monte Carlo simulations of PBs in water. Despite the large width of the halo contribution, we show how in either case the second Gaussian can be included while prolonging the calculation of the investigated plans by no more than 16%, or the calculation of the most time-consuming energy layers by about 25%. Furthermore, the calculation time is relatively unaffected by the parameterization used, which suggests that these results should hold also for different systems. Finally, since the implementation is based on an algorithm employed by a commercial treatment planning system, it is expected that with adequate tuning, it should be able to reproduce the halo dose from a general beam line with sufficient accuracy.

  5. Study on the Calculation Models of Bus Delay at Bays Using Queueing Theory and Markov Chain

    PubMed Central

    Sun, Li; Sun, Shao-wei; Wang, Dian-hai

    2015-01-01

    Traffic congestion at bus bays has decreased the service efficiency of public transit seriously in China, so it is crucial to systematically study its theory and methods. However, the existing studies lack theoretical model on computing efficiency. Therefore, the calculation models of bus delay at bays are studied. Firstly, the process that buses are delayed at bays is analyzed, and it was found that the delay can be divided into entering delay and exiting delay. Secondly, the queueing models of bus bays are formed, and the equilibrium distribution functions are proposed by applying the embedded Markov chain to the traditional model of queuing theory in the steady state; then the calculation models of entering delay are derived at bays. Thirdly, the exiting delay is studied by using the queueing theory and the gap acceptance theory. Finally, the proposed models are validated using field-measured data, and then the influencing factors are discussed. With these models the delay is easily assessed knowing the characteristics of the dwell time distribution and traffic volume at the curb lane in different locations and different periods. It can provide basis for the efficiency evaluation of bus bays. PMID:25759720

  6. Study on the calculation models of bus delay at bays using queueing theory and Markov chain.

    PubMed

    Sun, Feng; Sun, Li; Sun, Shao-Wei; Wang, Dian-Hai

    2015-01-01

    Traffic congestion at bus bays has decreased the service efficiency of public transit seriously in China, so it is crucial to systematically study its theory and methods. However, the existing studies lack theoretical model on computing efficiency. Therefore, the calculation models of bus delay at bays are studied. Firstly, the process that buses are delayed at bays is analyzed, and it was found that the delay can be divided into entering delay and exiting delay. Secondly, the queueing models of bus bays are formed, and the equilibrium distribution functions are proposed by applying the embedded Markov chain to the traditional model of queuing theory in the steady state; then the calculation models of entering delay are derived at bays. Thirdly, the exiting delay is studied by using the queueing theory and the gap acceptance theory. Finally, the proposed models are validated using field-measured data, and then the influencing factors are discussed. With these models the delay is easily assessed knowing the characteristics of the dwell time distribution and traffic volume at the curb lane in different locations and different periods. It can provide basis for the efficiency evaluation of bus bays.

  7. WHAT IS A MOMENT ARM? CALCULATING MUSCLE EFFECTIVENESS IN BIOMECHANICAL MODELS USING GENERALIZED COORDINATES.

    PubMed

    Sherman, Michael A; Seth, Ajay; Delp, Scott L

    2013-08-01

    Biomechanics researchers often use multibody models to represent biological systems. However, the mapping from biology to mechanics and back can be problematic. OpenSim is a popular open source tool used for this purpose, mapping between biological specifications and an underlying generalized coordinate multibody system called Simbody. One quantity of interest to biomechanical researchers and clinicians is "muscle moment arm," a measure of the effectiveness of a muscle at contributing to a particular motion over a range of configurations. OpenSim can automatically calculate these quantities for any muscle once a model has been built. For simple cases, this calculation is the same as the conventional moment arm calculation in mechanical engineering. But a muscle may span several joints (e.g., wrist, neck, back) and may follow a convoluted path over various curved surfaces. A biological joint may require several bodies or even a mechanism to accurately represent in the multibody model (e.g., knee, shoulder). In these situations we need a careful definition of muscle moment arm that is analogous to the mechanical engineering concept, yet generalized to be of use to biomedical researchers. Here we present some biomechanical modeling challenges and how they are resolved in OpenSim and Simbody to yield biologically meaningful muscle moment arms.

  8. The best model for the calculation of profile losses in the axial turbine

    NASA Astrophysics Data System (ADS)

    Baturin, O. V.; Popov, G. M.; Kolmakova, D. A.; Novikova, Yu D.

    2017-01-01

    The paper proposes a method for evaluating the reliability of models for estimation of the energy losses in the blade rows of axial turbines, based on the statistical analysis of the deviation of the experimental data from the calculated. It was shown that these deviations are subjected to the normal distribution law and can be described by mathematical expectations μΔξ and standard deviation σΔξ. The values of profile losses were calculated by five well-known models for 170 different axial turbines cascades, representing the diversity of turbines used in aircraft GTE. The findings were compared with experimental data. Compared results were subjected to statistical analysis. It was found that the best model to describe the profile losses in axial turbines is a model that has been developed in Central Institute of Aviation Motors (Russia). With a probability of 95%, it allows the calculation of profile losses deviating from the actual values of losses by -8±84%.

  9. WHAT IS A MOMENT ARM? CALCULATING MUSCLE EFFECTIVENESS IN BIOMECHANICAL MODELS USING GENERALIZED COORDINATES

    PubMed Central

    Seth, Ajay; Delp, Scott L.

    2015-01-01

    Biomechanics researchers often use multibody models to represent biological systems. However, the mapping from biology to mechanics and back can be problematic. OpenSim is a popular open source tool used for this purpose, mapping between biological specifications and an underlying generalized coordinate multibody system called Simbody. One quantity of interest to biomechanical researchers and clinicians is “muscle moment arm,” a measure of the effectiveness of a muscle at contributing to a particular motion over a range of configurations. OpenSim can automatically calculate these quantities for any muscle once a model has been built. For simple cases, this calculation is the same as the conventional moment arm calculation in mechanical engineering. But a muscle may span several joints (e.g., wrist, neck, back) and may follow a convoluted path over various curved surfaces. A biological joint may require several bodies or even a mechanism to accurately represent in the multibody model (e.g., knee, shoulder). In these situations we need a careful definition of muscle moment arm that is analogous to the mechanical engineering concept, yet generalized to be of use to biomedical researchers. Here we present some biomechanical modeling challenges and how they are resolved in OpenSim and Simbody to yield biologically meaningful muscle moment arms. PMID:25905111

  10. An adaptive reduction algorithm for efficient chemical calculations in global atmospheric chemistry models

    NASA Astrophysics Data System (ADS)

    Santillana, Mauricio; Le Sager, Philippe; Jacob, Daniel J.; Brenner, Michael P.

    2010-11-01

    We present a computationally efficient adaptive method for calculating the time evolution of the concentrations of chemical species in global 3-D models of atmospheric chemistry. Our strategy consists of partitioning the computational domain into fast and slow regions for each chemical species at every time step. In each grid box, we group the fast species and solve for their concentration in a coupled fashion. Concentrations of the slow species are calculated using a simple semi-implicit formula. Separation of species between fast and slow is done on the fly based on their local production and loss rates. This allows for example to exclude short-lived volatile organic compounds (VOCs) and their oxidation products from chemical calculations in the remote troposphere where their concentrations are negligible, letting the simulation determine the exclusion domain and allowing species to drop out individually from the coupled chemical calculation as their production/loss rates decline. We applied our method to a 1-year simulation of global tropospheric ozone-NO x-VOC-aerosol chemistry using the GEOS-Chem model. Results show a 50% improvement in computational performance for the chemical solver, with no significant added error.

  11. An analytic linear accelerator source model for GPU-based Monte Carlo dose calculations.

    PubMed

    Tian, Zhen; Li, Yongbao; Folkerts, Michael; Shi, Feng; Jiang, Steve B; Jia, Xun

    2015-10-21

    Recently, there has been a lot of research interest in developing fast Monte Carlo (MC) dose calculation methods on graphics processing unit (GPU) platforms. A good linear accelerator (linac) source model is critical for both accuracy and efficiency considerations. In principle, an analytical source model should be more preferred for GPU-based MC dose engines than a phase-space file-based model, in that data loading and CPU-GPU data transfer can be avoided. In this paper, we presented an analytical field-independent source model specifically developed for GPU-based MC dose calculations, associated with a GPU-friendly sampling scheme. A key concept called phase-space-ring (PSR) was proposed. Each PSR contained a group of particles that were of the same type, close in energy and reside in a narrow ring on the phase-space plane located just above the upper jaws. The model parameterized the probability densities of particle location, direction and energy for each primary photon PSR, scattered photon PSR and electron PSR. Models of one 2D Gaussian distribution or multiple Gaussian components were employed to represent the particle direction distributions of these PSRs. A method was developed to analyze a reference phase-space file and derive corresponding model parameters. To efficiently use our model in MC dose calculations on GPU, we proposed a GPU-friendly sampling strategy, which ensured that the particles sampled and transported simultaneously are of the same type and close in energy to alleviate GPU thread divergences. To test the accuracy of our model, dose distributions of a set of open fields in a water phantom were calculated using our source model and compared to those calculated using the reference phase-space files. For the high dose gradient regions, the average distance-to-agreement (DTA) was within 1 mm and the maximum DTA within 2 mm. For relatively low dose gradient regions, the root-mean-square (RMS) dose difference was within 1.1% and the maximum

  12. SU-F-BRD-09: A Random Walk Model Algorithm for Proton Dose Calculation

    SciTech Connect

    Yao, W; Farr, J

    2015-06-15

    Purpose: To develop a random walk model algorithm for calculating proton dose with balanced computation burden and accuracy. Methods: Random walk (RW) model is sometimes referred to as a density Monte Carlo (MC) simulation. In MC proton dose calculation, the use of Gaussian angular distribution of protons due to multiple Coulomb scatter (MCS) is convenient, but in RW the use of Gaussian angular distribution requires an extremely large computation and memory. Thus, our RW model adopts spatial distribution from the angular one to accelerate the computation and to decrease the memory usage. From the physics and comparison with the MC simulations, we have determined and analytically expressed those critical variables affecting the dose accuracy in our RW model. Results: Besides those variables such as MCS, stopping power, energy spectrum after energy absorption etc., which have been extensively discussed in literature, the following variables were found to be critical in our RW model: (1) inverse squared law that can significantly reduce the computation burden and memory, (2) non-Gaussian spatial distribution after MCS, and (3) the mean direction of scatters at each voxel. In comparison to MC results, taken as reference, for a water phantom irradiated by mono-energetic proton beams from 75 MeV to 221.28 MeV, the gamma test pass rate was 100% for the 2%/2mm/10% criterion. For a highly heterogeneous phantom consisting of water embedded by a 10 cm cortical bone and a 10 cm lung in the Bragg peak region of the proton beam, the gamma test pass rate was greater than 98% for the 3%/3mm/10% criterion. Conclusion: We have determined key variables in our RW model for proton dose calculation. Compared with commercial pencil beam algorithms, our RW model much improves the dose accuracy in heterogeneous regions, and is about 10 times faster than MC simulations.

  13. 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

  14. MPS solidification model. Analysis and calculation of macrosegregation in a casting ingot

    NASA Technical Reports Server (NTRS)

    Poirier, D. R.; Maples, A. L.

    1985-01-01

    Work performed on several existing solidification models for which computer codes and documentation were developed is presented. The models describe the solidification of alloys in which there is a time varying zone of coexisting solid and liquid phases; i.e., the S/L zone. The primary purpose of the models is to calculate macrosegregation in a casting or ingot which results from flow of interdendritic liquid in this S/L zone during solidification. The flow, driven by solidification contractions and by gravity acting on density gradients in the interdendritic liquid, is modeled as flow through a porous medium. In Model 1, the steady state model, the heat flow characteristics are those of steady state solidification; i.e., the S/L zone is of constant width and it moves at a constant velocity relative to the mold. In Model 2, the unsteady state model, the width and rate of movement of the S/L zone are allowed to vary with time as it moves through the ingot. Each of these models exists in two versions. Models 1 and 2 are applicable to binary alloys; models 1M and 2M are applicable to multicomponent alloys.

  15. REPLY: Reply to comment on 'Model calculation of the scanned field enhancement factor of CNTs'

    NASA Astrophysics Data System (ADS)

    Ahmad, Amir; Tripathi, V. K.

    2010-09-01

    In the paper (Ahmad and Tripathi 2006 Nanotechnology 17 3798), we derived an expression to compute the field enhancement factor of CNTs under any positional distribution of CNTs by using the model of a floating sphere between parallel anode and cathode plates. Using this expression we can compute the field enhancement factor of a CNT in a cluster (non-uniformly distributed CNTs). This expression was used to compute the field enhancement factor of a CNT in an array (uniformly distributed CNTs). We used an approximation to calculate the field enhancement factor. Hence, our expressions are correct in that assumption only. Zhbanov et al (2010 Nanotechnology 21 358001) suggest a correction that can calculate the field enhancement factor without using the approximation. Hence, this correction can improve the applicability of this model.

  16. A theoretical model for calculation of molecular stopping power. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Xu, Y. J.

    1984-01-01

    A modified local plasma model is established. The Gordon-Kim's molecular charged density model is employed to obtain a formula to evaluate the stopping power of many useful molecular systems. The stopping power of H2 and He gas was calculated for incident proton energy ranging from 100 keV to 2.5 MeV. The stopping power of O2, N2, and water vapor was also calculated for incident proton energy ranging from 40 keV. to 2.5 MeV. Good agreement with experimental data was obtained. A discussion of molecular effects leading to department from Bragg's rule is presented. The equipartition rule and the effect of nuclear momentum recoiling in stopping power are also discussed.

  17. Large-scale shell-model calculations of nuclei around mass 210

    NASA Astrophysics Data System (ADS)

    Teruya, E.; Higashiyama, K.; Yoshinaga, N.

    2016-06-01

    Large-scale shell-model calculations are performed for even-even, odd-mass, and doubly odd nuclei of Pb, Bi, Po, At, Rn, and Fr isotopes in the neutron deficit region (Z ≥82 ,N ≤126 ) assuming 208Pb as a doubly magic core. All the six single-particle orbitals between the magic numbers 82 and 126, namely, 0 h9 /2,1 f7 /2,0 i13 /2,2 p3 /2,1 f5 /2 , and 2 p1 /2 , are considered. For a phenomenological effective two-body interaction, one set of the monopole pairing and quadrupole-quadrupole interactions including the multipole-pairing interactions is adopted for all the nuclei considered. The calculated energies and electromagnetic properties are compared with the experimental data. Furthermore, many isomeric states are analyzed in terms of the shell-model configurations.

  18. Comparison of calculated and measured pressures on straight and swept-tip model rotor blades

    NASA Technical Reports Server (NTRS)

    Tauber, M. E.; Chang, I. C.; Caughey, D. A.; Phillipe, J. J.

    1983-01-01

    Using the quasi-steady, full potential code, ROT22, pressures were calculated on straight and swept tip model helicopter rotor blades at advance ratios of 0.40 and 0.45, and into the transonic tip speed range. The calculated pressures were compared with values measured in the tip regions of the model blades. Good agreement was found over a wide range of azimuth angles when the shocks on the blade were not too strong. However, strong shocks persisted longer than predicted by ROT22 when the blade was in the second quadrant. Since the unsteady flow effects present at high advance ratios primarily affect shock waves, the underprediction of shock strengths is attributed to the simplifying, quasi-steady, assumption made in ROT22.

  19. Improved analytical flux surface representation and calculation models for poloidal asymmetries

    NASA Astrophysics Data System (ADS)

    Collart, T. G.; Stacey, W. M.

    2016-05-01

    An orthogonalized flux-surface aligned curvilinear coordinate system has been developed from an up-down asymmetric variation of the "Miller" flux-surface equilibrium model. It is found that the new orthogonalized "asymmetric Miller" model representation of equilibrium flux surfaces provides a more accurate match than various other representations of DIII-D [J. L. Luxon, Nucl. Fusion 42, 614-633 (2002)] discharges to flux surfaces calculated using the DIII-D Equilibrium Fitting tokamak equilibrium reconstruction code. The continuity and momentum balance equations were used to develop a system of equations relating asymmetries in plasma velocities, densities, and electrostatic potential in this curvilinear system, and detailed calculations of poloidal asymmetries were performed for a DIII-D discharge.

  20. Detection efficiency calculation for photons, electrons and positrons in a well detector. Part I: Analytical model

    NASA Astrophysics Data System (ADS)

    Pommé, S.

    2009-06-01

    An analytical model is presented to calculate the total detection efficiency of a well-type radiation detector for photons, electrons and positrons emitted from a radioactive source at an arbitrary position inside the well. The model is well suited to treat a typical set-up with a point source or cylindrical source and vial inside a NaI well detector, with or without lead shield surrounding it. It allows for fast absolute or relative total efficiency calibrations for a wide variety of geometrical configurations and also provides accurate input for the calculation of coincidence summing effects. Depending on its accuracy, it may even be applied in 4π-γ counting, a primary standardisation method for activity. Besides an accurate account of photon interactions, precautions are taken to simulate the special case of 511 keV annihilation quanta and to include realistic approximations for the range of (conversion) electrons and β -- and β +-particles.

  1. Observations and model calculations of an additional layer in the topside ionosphere above Fortaleza, Brazil

    NASA Astrophysics Data System (ADS)

    Jenkins, B.; Bailey, G. J.; Abdu, M. A.; Batista, I. S.; Balan, N.

    1997-06-01

    Calculations using the Sheffield University plasmasphere ionosphere model have shown that under certain conditions an additional layer can form in the low latitude topside ionosphere. This layer (the F3 layer) has subsequently been observed in ionograms recorded at Fortaleza in Brazil. It has not been observed in ionograms recorded at the neighbouring station São Luis. Model calculations have shown that the F3 layer is most likely to form in summer at Fortaleza due to a combination of the neutral wind and the E×B drift acting to raise the plasma. At the location of São Luis, almost on the geomagnetic equator, the neutral wind has a smaller vertical component so the F3 layer does not form.

  2. Supersonic flow calculation using a Reynolds-stress and an eddy thermal diffusivity turbulence model

    NASA Technical Reports Server (NTRS)

    Sommer, T. P.; So, R. M. C.; Zhang, H. S.

    1993-01-01

    A second-order model for the velocity field and a two-equation model for the temperature field are used to calculate supersonic boundary layers assuming negligible real gas effects. The modeled equations are formulated on the basis of an incompressible assumption and then extended to supersonic flows by invoking Morkovin's hypothesis, which proposes that compressibility effects are completely accounted for by mean density variations alone. In order to calculate the near-wall flow accurately, correction functions are proposed to render the modeled equations asymptotically consistent with the behavior of the exact equations near a wall and, at the same time, display the proper dependence on the molecular Prandtl number. Thus formulated, the near-wall second order turbulence model for heat transfer is applicable to supersonic flows with different Prandtl numbers. The model is validated against flows with different Prandtl numbers and supersonic flows with free-stream Mach numbers as high as 10 and wall temperature ratios as low as 0.3. Among the flow cases considered, the momentum thickness Reynolds number varies from approximately 4,000 to approximately 21,000. Good correlation with measurements of mean velocity, temperature, and its variance is obtained. Discernible improvements in the law-of-the-wall are observed, especially in the range where the big-law applies.

  3. A numerical model for calculating vibration from a railway tunnel embedded in a full-space

    NASA Astrophysics Data System (ADS)

    Hussein, M. F. M.; Hunt, H. E. M.

    2007-08-01

    Vibration generated by underground railways transmits to nearby buildings causing annoyance to inhabitants and malfunctioning to sensitive equipment. Vibration can be isolated through countermeasures by reducing the stiffness of railpads, using floating-slab tracks and/or supporting buildings on springs. Modelling of vibration from underground railways has recently gained more importance on account of the need to evaluate accurately the performance of vibration countermeasures before these are implemented. This paper develops an existing model, reported by Forrest and Hunt, for calculating vibration from underground railways. The model, known as the Pipe-in-Pipe model, has been developed in this paper to account for anti-symmetrical inputs and therefore to model tangential forces at the tunnel wall. Moreover, three different arrangements of supports are considered for floating-slab tracks, one which can be used to model directly-fixed slabs. The paper also investigates the wave-guided solution of the track, the tunnel, the surrounding soil and the coupled system. It is shown that the dynamics of the track have significant effect on the results calculated in the wavenumber-frequency domain and therefore an important role on controlling vibration from underground railways.

  4. Influence of polarization and a source model for dose calculation in MRT

    SciTech Connect

    Bartzsch, Stefan Oelfke, Uwe; Lerch, Michael; Petasecca, Marco; Bräuer-Krisch, Elke

    2014-04-15

    Purpose: Microbeam Radiation Therapy (MRT), an alternative preclinical treatment strategy using spatially modulated synchrotron radiation on a micrometer scale, has the great potential to cure malignant tumors (e.g., brain tumors) while having low side effects on normal tissue. Dose measurement and calculation in MRT is challenging because of the spatial accuracy required and the arising high dose differences. Dose calculation with Monte Carlo simulations is time consuming and their accuracy is still a matter of debate. In particular, the influence of photon polarization has been discussed in the literature. Moreover, it is controversial whether a complete knowledge of phase space trajectories, i.e., the simulation of the machine from the wiggler to the collimator, is necessary in order to accurately calculate the dose. Methods: With Monte Carlo simulations in the Geant4 toolkit, the authors investigate the influence of polarization on the dose distribution and the therapeutically important peak to valley dose ratios (PVDRs). Furthermore, the authors analyze in detail phase space information provided byMartínez-Rovira et al. [“Development and commissioning of a Monte Carlo photon model for the forthcoming clinical trials in microbeam radiation therapy,” Med. Phys. 39(1), 119–131 (2012)] and examine its influence on peak and valley doses. A simple source model is developed using parallel beams and its applicability is shown in a semiadjoint Monte Carlo simulation. Results are compared to measurements and previously published data. Results: Polarization has a significant influence on the scattered dose outside the microbeam field. In the radiation field, however, dose and PVDRs deduced from calculations without polarization and with polarization differ by less than 3%. The authors show that the key consequences from the phase space information for dose calculations are inhomogeneous primary photon flux, partial absorption due to inclined beam incidence outside

  5. Calculating Nozzle Side Loads using Acceleration Measurements of Test-Based Models

    NASA Technical Reports Server (NTRS)

    Brown, Andrew M.; Ruf, Joe

    2007-01-01

    As part of a NASA/MSFC research program to evaluate the effect of different nozzle contours on the well-known but poorly characterized "side load" phenomena, we attempt to back out the net force on a sub-scale nozzle during cold-flow testing using acceleration measurements. Because modeling the test facility dynamics is problematic, new techniques for creating a "pseudo-model" of the facility and nozzle directly from modal test results are applied. Extensive verification procedures were undertaken, resulting in a loading scale factor necessary for agreement between test and model based frequency response functions. Side loads are then obtained by applying a wide-band random load onto the system model, obtaining nozzle response PSD's, and iterating both the amplitude and frequency of the input until a good comparison of the response with the measured response PSD for a specific time point is obtained. The final calculated loading can be used to compare different nozzle profiles for assessment during rocket engine nozzle development and as a basis for accurate design of the nozzle and engine structure to withstand these loads. The techniques applied within this procedure have extensive applicability to timely and accurate characterization of all test fixtures used for modal test.A viewgraph presentation on a model-test based pseudo-model used to calculate side loads on rocket engine nozzles is included. The topics include: 1) Side Loads in Rocket Nozzles; 2) Present Side Loads Research at NASA/MSFC; 3) Structural Dynamic Model Generation; 4) Pseudo-Model Generation; 5) Implementation; 6) Calibration of Pseudo-Model Response; 7) Pseudo-Model Response Verification; 8) Inverse Force Determination; 9) Results; and 10) Recent Work.

  6. Monte Carlo calculation of dynamical properties of the two-dimensional Hubbard model

    NASA Technical Reports Server (NTRS)

    White, S. R.; Scalapino, D. J.; Sugar, R. L.; Bickers, N. E.

    1989-01-01

    A new method is introduced for analytically continuing imaginary-time data from quantum Monte Carlo calculations to the real-frequency axis. The method is based on a least-squares-fitting procedure with constraints of positivity and smoothness on the real-frequency quantities. Results are shown for the single-particle spectral-weight function and density of states for the half-filled, two-dimensional Hubbard model.

  7. [Cost-effectiveness analysis of prevention of reinfarction using low-dose acetylsalicylic acid; model calculation].

    PubMed

    Schädlich, P K; Brecht, J G

    1997-01-01

    The purpose of this study is to estimate the potential of savings which can be achieved by prophylaxis of myocardial reinfarction with low-dose acetylsalicylic acid (ASA) at 75 mg per day over a treatment period of two years. After secondary analysis of published data, the effectiveness of low-dose ASA is compared to placebo by a model calculation. The difference in the effectiveness between the prophylaxis with ASA and placebo is taken from an international meta-analysis. The economic valuation of this difference is carried out by a cost-effectiveness analysis applying disease costs per case. According to the model calculation, 5535 DM can be saved per patient with a history of myocardial infarction with 75 mg ASA a day over a treatment period of two years. In 1991 there were around 740,000 patients with a history of myocardial infarction in the age group of 25-64 in the Old Bundesländer of the Federal Republic of Germany. The application of the results of the model calculation would lead to considerable savings. Even in the sensitivity analysis with different assumptions regarding costs incurred by hospital treatment and costs incurred by premature retirement, the cost advantage of the ASA-prophylaxis remains. Due to the cautious and conservative assumptions in the model calculation the potential of savings is likely underestimated. Nevertheless, there is a distinct advantage for the prophylaxis with low-dose ASA which already occurs in direct costs thus leading to advantages also for cost carriers.

  8. An Analytic Model of the Strategic Bomber Penetration Mission with Variance Calculations.

    DTIC Science & Technology

    1981-12-01

    calculates the damage done by the weapon; and g) Penetrator (Ref 7:IV-20). All the results of the air battle simulations are stored as out- put, allowing a...detailed damage assessment information (Ref 8:13). b) NYLAND (RAND) - a small expected value model that includes bombers, decoys, BDMs, interceptors and SAMs...reliability data, perhaps adjusted to allow for damage that may occur to tankers during base escape. Together these two probabilities define a single

  9. Calculation of Oyster Benefits with a Bioenergetics Model of the Virginia Oyster

    DTIC Science & Technology

    2014-11-01

    tissue, shell, and reproductive material. The bioenergetics model is coupled to an oyster benefits module. The calculation of benefits is based on...individual oyster (Figure 1). These are shell, soft tissue, and reproductive material. The oysters filter overlying water continuously, although the rate...is a constant fraction of the energy expended in feeding. Basal metabolism proceeds at a rate independent of activity. Reproductive material is

  10. A deterministic partial differential equation model for dose calculation in electron radiotherapy

    NASA Astrophysics Data System (ADS)

    Duclous, R.; Dubroca, B.; Frank, M.

    2010-07-01

    High-energy ionizing radiation is a prominent modality for the treatment of many cancers. The approaches to electron dose calculation can be categorized into semi-empirical models (e.g. Fermi-Eyges, convolution-superposition) and probabilistic methods (e.g. Monte Carlo). A third approach to dose calculation has only recently attracted attention in the medical physics community. This approach is based on the deterministic kinetic equations of radiative transfer. We derive a macroscopic partial differential equation model for electron transport in tissue. This model involves an angular closure in the phase space. It is exact for the free streaming and the isotropic regime. We solve it numerically by a newly developed HLLC scheme based on Berthon et al (2007 J. Sci. Comput. 31 347-89) that exactly preserves the key properties of the analytical solution on the discrete level. We discuss several test cases taken from the medical physics literature. A test case with an academic Henyey-Greenstein scattering kernel is considered. We compare our model to a benchmark discrete ordinate solution. A simplified model of electron interactions with tissue is employed to compute the dose of an electron beam in a water phantom, and a case of irradiation of the vertebral column. Here our model is compared to the PENELOPE Monte Carlo code. In the academic example, the fluences computed with the new model and a benchmark result differ by less than 1%. The depths at half maximum differ by less than 0.6%. In the two comparisons with Monte Carlo, our model gives qualitatively reasonable dose distributions. Due to the crude interaction model, these so far do not have the accuracy needed in clinical practice. However, the new model has a computational cost that is less than one-tenth of the cost of a Monte Carlo simulation. In addition, simulations can be set up in a similar way as a Monte Carlo simulation. If more detailed effects such as coupled electron-photon transport, bremsstrahlung

  11. Monte Carlo calculation of phase equilibria for a bead-spring polymeric model

    SciTech Connect

    Sheng, Y.J.; Panagiotopoulos, A.Z. . School of Chemical Engineering); Kumar, S.K. . Dept. of Materials Science and Engineering); Szleifer, I. )

    1994-01-17

    Vapor-liquid phase diagrams for a bead-spring polymeric model have been calculated for chain lengths of 20, 50, and 100 from Monte Carlo simulations using the recently proposed chain increment method to determine the chain chemical potentials. Densities of both phases at coexistence and vapor pressures were obtained directly for a range of temperatures from highly subcritical to the vicinity of the critical point, and the critical temperature and density for each chain length were obtained by extrapolation. They also calculated the second virial coefficients for chain-chain interactions of the model and found that the temperature at which the second virial coefficients for chain-chain interactions of the model and found that the temperature at which the second virial coefficient vanishes for long chains coincides, within computational uncertainty, with the infinite chain length critical point from the phase equilibrium results. At the critical points of the finite length chains the second virial coefficient assume negative values, indicating attractive interchain interactions. The radius of gyration of chains of varying length was also determined and the [theta] temperature obtained from the radii of gyration found to coincide, within computational uncertainty, with the critical point for an infinite chain length polymer. The computational methodology they utilize can be extended to the calculation of phase equilibria in multicomponent polymer/solvent systems.

  12. Solar particle events observed at Mars: dosimetry measurements and model calculations

    NASA Astrophysics Data System (ADS)

    Cleghorn, T.; Saganti, P.; Zeitlin, C.; Cucinotta, F.

    The first solar particle events from a Martian orbit are observed with the MARIE (Martian Radiation Environment Experiment) on the 2001 Mars Odyssey space -craft that is currently in orbit and collecting the mapping data of the red planet. These solar particle events observed at Mars during March and April 2002, are correlated with the GOES-8 and ACE satellite data from the same time period at Earth orbits. Dosimetry measurements for the Mars orbit from the period of March 13t h through April 29t h . Particle count rate and the corresponding dose rate enhancements were observed on March 16t h through 20t h and on April 22n d corresponding to solar particle events that were observed at Earth orbit on March 16t h through 21s t and beginning on April 21s t respectively. The model calculations with the HZETRN (High Z=atomic number and high Energy Transport) code estimated the background GCR (Galactic Cosmic Rays) dose rates. The dose rates observed by the MARIE instrument are within 10% of the model calculations. Dosimetry measurements and model calculation will be presented.

  13. Observation and model calculations of sunspot ring structure at 8.46GHz

    NASA Astrophysics Data System (ADS)

    Gopalswarmy, N.; Raulin, J. P.; Kundu, M. R.; Hildebrandt, J.; Krueger, A.; Hofmann, A.

    1996-12-01

    We present Very Large Array (VLA) observations of AR 7542 which demonstrate the existence of definite ring and horse-shoe structures of a sunspot in intensity (I) and polarization (V) at 8.46GHz (3.5cm wavelength) and compare them with model calculations of gyroresonance radiation. The VLA measurements have been made on three different days in July 1993 when AR 7542 was at three different longitudes which allows us to study the effect of viewing angle on sunspot-associated microwave emission. Model calculations of gyroresonance radiation have been carried out using a modified dipole model corresponding to the observed photospheric magnetic field strength and average temperature/electron density distributions consistent with soft X-ray and EUV observations (for the lower atmosphere) as well as theoretical assumptions (for the corona). The calculated I and V maps were found to be generally consistent with the radio observations. We obtain information on the magnetic scale length in vertical and horizontal directions above the sunspot and about the distribution of other plasma parameters (temperature, density) inside the radio source region.

  14. Reacidification modeling and dose calculation procedures for calcium-carbonate-treated lakes

    SciTech Connect

    Scheffe, R.D.

    1987-01-01

    Two dose calculation models and a reacidification model were developed and applied to two Adirondack acid lakes (Woods Lake and Cranberry Pond) that were treated with calcite during May 30-31, 1985 as part of the EPRI-funded Lake Acidification Mitigation Project. The first dose model extended Sverdrup's (1983) Lake Liming model by incorporating chemical equilibrium routines to eliminate empirical components. The model simulates laboratory column water chemistry profiles (spatially and temporally) and dissolution efficiencies fairly well; however, the model predicted conservative dissolution efficiencies for the study lakes. Time-series water chemistry profiles of the lakes suggest that atmospheric carbon dioxide intrusion rate was far greater than expected and enhanced dissolution efficiency. Accordingly, a second dose model was developed that incorporated ongoing CO/sub 2/ intrusion and added flexibility in the handling of solid and dissolved species transport. This revised model simulated whole-lake water chemistry throughout the three week dissolution period. The Acid Lake Reacidification Model (ALaRM) is a general mass-balance model developed for the temporal prediction of the principal chemical species in both the water column and sediment pore water of small lakes and ponds.

  15. Evaluation of Major Online Diabetes Risk Calculators and Computerized Predictive Models

    PubMed Central

    Stiglic, Gregor; Pajnkihar, Majda

    2015-01-01

    Classical paper-and-pencil based risk assessment questionnaires are often accompanied by the online versions of the questionnaire to reach a wider population. This study focuses on the loss, especially in risk estimation performance, that can be inflicted by direct transformation from the paper to online versions of risk estimation calculators by ignoring the possibilities of more complex and accurate calculations that can be performed using the online calculators. We empirically compare the risk estimation performance between four major diabetes risk calculators and two, more advanced, predictive models. National Health and Nutrition Examination Survey (NHANES) data from 1999–2012 was used to evaluate the performance of detecting diabetes and pre-diabetes. American Diabetes Association risk test achieved the best predictive performance in category of classical paper-and-pencil based tests with an Area Under the ROC Curve (AUC) of 0.699 for undiagnosed diabetes (0.662 for pre-diabetes) and 47% (47% for pre-diabetes) persons selected for screening. Our results demonstrate a significant difference in performance with additional benefits for a lower number of persons selected for screening when statistical methods are used. The best AUC overall was obtained in diabetes risk prediction using logistic regression with AUC of 0.775 (0.734) and an average 34% (48%) persons selected for screening. However, generalized boosted regression models might be a better option from the economical point of view as the number of selected persons for screening of 30% (47%) lies significantly lower for diabetes risk assessment in comparison to logistic regression (p < 0.001), with a significantly higher AUC (p < 0.001) of 0.774 (0.740) for the pre-diabetes group. Our results demonstrate a serious lack of predictive performance in four major online diabetes risk calculators. Therefore, one should take great care and consider optimizing the online versions of questionnaires that were

  16. From Kuo-Brown to today's realistic shell-model calculations

    NASA Astrophysics Data System (ADS)

    Coraggio, L.; Covello, A.; Gargano, A.; Itaco, N.

    2014-08-01

    This paper is an homage to the seminal work of Gerry Brown and Tom Kuo, where shell model calculations were performed for 18O and 18F using an effective interaction derived from the Hamada-Johnston nucleon-nucleon potential. That work has been the first successful attempt to provide a description of nuclear structure properties starting from the free nucleon-nucleon potential. We shall compare the approach employed in the 1966 paper with the derivation of a modern realistic shell-model interaction for sd-shell nuclei, evidencing the progress that has been achieved during the last decades.

  17. Lattice calculation of non-gaussian density perturbations from the massless preheating inflationary model.

    PubMed

    Chambers, Alex; Rajantie, Arttu

    2008-02-01

    If light scalar fields are present at the end of inflation, their nonequilibrium dynamics such as parametric resonance or a phase transition can produce non-Gaussian density perturbations. We show how these perturbations can be calculated using nonlinear lattice field theory simulations and the separate universe approximation. In the massless preheating model, we find that some parameter values are excluded while others lead to acceptable but observable levels of non-Gaussianity. This shows that preheating can be an important factor in assessing the viability of inflationary models.

  18. Calculations on the Back of an Envelope Model: Applying Seasonal Fecundity Models to Species’ Range Limits

    EPA Science Inventory

    Most predictions of the effect of climate change on species’ ranges are based on correlations between climate and current species’ distributions. These so-called envelope models may be a good first approximation, but we need demographically mechanistic models to incorporate the ...

  19. The truth is out there: measured, calculated and modelled benthic fluxes.

    NASA Astrophysics Data System (ADS)

    Pakhomova, Svetlana; Protsenko, Elizaveta

    2016-04-01

    In a modern Earth science there is a great importance of understanding the processes, forming the benthic fluxes as one of element sources or sinks to or from the water body, which affects the elements balance in the water system. There are several ways to assess benthic fluxes and here we try to compare the results obtained by chamber experiments, calculated from porewater distributions and simulated with model. Benthic fluxes of dissolved elements (oxygen, nitrogen species, phosphate, silicate, alkalinity, iron and manganese species) were studied in the Baltic and Black Seas from 2000 to 2005. Fluxes were measured in situ using chamber incubations (Jch) and at the same time sediment cores were collected to assess the porewater distribution at different depths to calculate diffusive fluxes (Jpw). Model study was carried out with benthic-pelagic biogeochemical model BROM (O-N-P-Si-C-S-Mn-Fe redox model). It was applied to simulate biogeochemical structure of the water column and upper sediment and to assess the vertical fluxes (Jmd). By the behaviour at the water-sediment interface all studied elements can be divided into three groups: (1) elements which benthic fluxes are determined by the concentrations gradient only (Si, Mn), (2) elements which fluxes depend on redox conditions in the bottom water (Fe, PO4, NH4), and (3) elements which fluxes are strongly connected with organic matter fate (O2, Alk, NH4). For the first group it was found that measured fluxes are always higher than calculated diffusive fluxes (1.5calculated diffusive fluxes (0.01

  20. An empirical model for calculation of the collimator contamination dose in therapeutic proton beams

    NASA Astrophysics Data System (ADS)

    Vidal, M.; De Marzi, L.; Szymanowski, H.; Guinement, L.; Nauraye, C.; Hierso, E.; Freud, N.; Ferrand, R.; François, P.; Sarrut, D.

    2016-02-01

    Collimators are used as lateral beam shaping devices in proton therapy with passive scattering beam lines. The dose contamination due to collimator scattering can be as high as 10% of the maximum dose and influences calculation of the output factor or monitor units (MU). To date, commercial treatment planning systems generally use a zero-thickness collimator approximation ignoring edge scattering in the aperture collimator and few analytical models have been proposed to take scattering effects into account, mainly limited to the inner collimator face component. The aim of this study was to characterize and model aperture contamination by means of a fast and accurate analytical model. The entrance face collimator scatter distribution was modeled as a 3D secondary dose source. Predicted dose contaminations were compared to measurements and Monte Carlo simulations. Measurements were performed on two different proton beam lines (a fixed horizontal beam line and a gantry beam line) with divergent apertures and for several field sizes and energies. Discrepancies between analytical algorithm dose prediction and measurements were decreased from 10% to 2% using the proposed model. Gamma-index (2%/1 mm) was respected for more than 90% of pixels. The proposed analytical algorithm increases the accuracy of analytical dose calculations with reasonable computation times.

  1. Two-dimensional model calculation of fluorine-containing reservoir species in the stratosphere

    NASA Technical Reports Server (NTRS)

    Kaye, Jack A.; Douglass, Anne R.; Jackman, Charles H.; Stolarski, Richard S.; Zander, R.

    1991-01-01

    Two-dimensional model calculations have been carried out of the distributions of the fluorine-containing reservoir species HF, CF2O, and CFClO. HF constitutes the largest fluorine reservoir in the stratosphere, but CF2O also makes an important contribution to the inorganic fluorine budget. CFClO amounts are most important in the tropical lower stratosphere. HF amounts increase with altitude throughout the stratosphere, while those of CF2O and CFClO fall off above their mixing ratio peaks due to photolysis. The model is in good qualitative agreement with observed vertical profiles of HF and CF2O but tends to underestimate the total column of HF. The calculated CFClO distribution is in good agreement with the very limited data. The disagreement in the HF columns is likely due to small inaccuracies in the model's treatment of lower stratospheric photolysis of chlorofluorocarbons. The model results support the suggestion that CF2O may be heterogeneously converted to HF on the surface of polar stratospheric cloud particles. The model results also suggest that the quantum yield for photolysis of CF2O is near unity.

  2. Sensor-based clear and cloud radiance calculations in the community radiative transfer model.

    PubMed

    Liu, Quanhua; Xue, Y; Li, C

    2013-07-10

    The community radiative transfer model (CRTM) has been implemented for clear and cloudy satellite radiance simulations in the National Oceanic and Atmospheric Administration (NOAA) National Centers for Environmental Prediction (NCEP) Gridpoint Statistical Interpolation data assimilation system for global and regional forecasting as well as reanalysis for climate studies. Clear-sky satellite radiances are successfully assimilated, while cloudy radiances need to be assimilated for improving precipitation and severe weather forecasting. However, cloud radiance calculations are much slower than the calculations for clear-sky radiance, and exceed our computational capacity for weather forecasting. In order to make cloud radiance assimilation affordable, cloud optical parameters at the band central wavelength are used in the CRTM (OPTRAN-CRTM) where the optical transmittance (OPTRAN) band model is applied. The approximation implies that only one radiative transfer solution for each band (i.e., channel) is needed, instead of typically more than 10,000 solutions that are required for a detailed line-by-line radiative transfer model (LBLRTM). This paper investigated the accuracy of the approximation and helps us to understand the error source. Two NOAA operational sensors, High Resolution Infrared Radiation Sounder/3 (HIRS/3) and Advanced Microwave Sounding Unit (AMSU), have been chosen for this investigation with both clear and cloudy cases. By comparing the CRTM cloud radiance calculations with the LBLRTM simulations, we found that the CRTM cloud radiance model can achieve accuracy better than 0.4 K for the IR sensor and 0.1 K for the microwave sensor. The results suggest that the CRTM cloud radiance calculations may be adequate to the operational satellite radiance assimilation for numerical forecast model. The accuracy using OPTRAN is much better than using the scaling method (SCALING-CRTM). In clear-sky applications, the scaling of the optical depth derived at nadir

  3. Binary cluster model calculations for 20Ne and 44Ti nuclei

    NASA Astrophysics Data System (ADS)

    Koyuncu, F.; Soylu, A.; Bayrak, O.

    2017-03-01

    The elastic scattering data of α+16O and α+40Ca systems at Elab = 32.2-146 MeV and Elab = 24.1-49.5 MeV energies have been analyzed with double-folding (DF) potential in optical model formalism in order to investigate the cluster structures of 20Ne and 44Ti nuclei. The deduced DF potentials between α and 16O as well as α and 40Ca have been used for obtaining the excitation energies and α-decay widths of 20Ne and 44Ti in Gamow code, but the reasonable results could not be obtained. Thus, the real parts of DF potentials which are in the best agreement with experimental data have been fitted with the squared-Woods-Saxon (WS2) potential parameters to calculate the α-decay widths of 20Ne and 44Ti with Wentzel-Kramers-Brillouin (WKB) approach. The nuclear potential sets obtained in WKB calculations are also used for Gamow code calculations. We take into account the deformation and orientation of 40Ca nucleus to examine their influence on both the excitation energies and decay widths of 44Ti. Besides, by using the binary cluster model the rotational band energies and electromagnetic transition probabilities (BE2)s according to angles are also reproduced for both nuclei. The obtained results showed that the binary cluster model is very useful to understand the observables of 20Ne and 44Ti nuclei. Although only spherical calculations are made for 20Ne (α + 16O), the deformation in 40Ca would be important for the understanding of 44Ti (α + 40Ca) cluster structure. The mechanism presented here would also be applied to understand the cluster structures in heavy nuclei.

  4. Chemical evolution of dwarf spheroidal galaxies based on model calculations incorporating observed star formation histories

    NASA Astrophysics Data System (ADS)

    Homma, H.; Murayama, T.

    We investigate the chemical evolution model explaining the chemical composition and the star formation histories (SFHs) simultaneously for the dwarf spheroidal galaxies (dSphs). Recently, wide imaging photometry and multi-object spectroscopy give us a large number of data. Therefore, we start to develop the chemical evolution model based on an SFH given by photometric observations and estimates a metallicity distribution function (MDF) comparing with spectroscopic observations. With this new model we calculate the chemical evolution for 4 dSphs (Fornax, Sculptor, Leo II, Sextans), and then we found that the model of 0.1 Gyr for the delay time of type Ia SNe is too short to explain the observed [alpha /Fe] vs. [Fe/H] diagrams.

  5. Forward flight trim calculation and frequency response validation of a high-order helicopter simulation model

    NASA Technical Reports Server (NTRS)

    Kim, Frederick D.; Celi, Roberto; Tischler, Mark B.

    1991-01-01

    This paper describes a new trim procedure, that includes the calculation of the steady-state response of the rotor blades, and that is applicable to straight flight and steady coordinated turns. This paper also describes the results of a validation study for a high order linearized model of helicopter flight dynamics, that includes rotor, inflow, and actuator dynamics. The model is obtained by numerical perturbations of a nonlinear, blade element type mathematical model. Predicted responses are compared with flight test data for two values of flight speed. The comparison is carried out in the frequency domain. Numerical simulations show that the trim algorithm is very accurate, and preserves the periodicity of the aircraft states. The results also indicate that the predictions of the linearized model are in good agreement with flight test data, especially at medium and high frequencies.

  6. A revised model of the kidney for medical internal radiation dose calculations

    SciTech Connect

    Patel, J.S.

    1988-12-01

    Presently, there is a need for a revised model for the kidneys which clearly distinguishes major regions and structures in the kidneys. This model is needed since radionuclides used currently in nuclear medicine have marked preferences for various regions of the kidneys, and the radiation dose to one or more of these regions is of primary importance. At this time the kidneys are modeled as solid organs of uniform density by the ALGAM computer code, which uses Monte Carlo techniques to calculate absorbed fractions. This presentation will introduce a model in which the source regions will be the cortex, medulla and the papillae, while the target regions will be these regions as well as the other organs of the body. This research presents for the first time estimates of the specific absorbed fractions in various organs of the body from a source in the specific region of the kidneys. 17 refs., 8 figs., 10 tabs.

  7. A model for calculating polymer injectivity including the effects of shear degradation

    SciTech Connect

    Sorbie, K.S.; Roberts, L.J.

    1984-04-01

    Polymers are frequently injected into oil reservoirs in order to improve recovery. As they reduce the in-situ mobility of the aqueous phase (either by viscosity increase or permeability reduction), the fluid injectivity generally drops. It is very useful to be able to estimate in advance from a few laboratory measured quantities the injectivity of the polymer and whether the polymer is likely to be seriously degraded by the high shear experienced in the near-wellbore region. It is difficult to calculate the injectivity of the polymer solutions due to their complex rheological behaviour within porous media, especially when the polymer mechanically degrades. In this paper, the authors investigate one approach to calculating the injectivity of polymers in the general case where mechanical degradation occurs. A kinetic model for polymer degradation is proposed which is used to obtain the radial viscosity profile of the degrading polymer. This may in turn be used to calculate the steady-state pressure drops associated with the degrading polymer. The model is based on a discrete multicomponent representation of the polymer molecular weight distribution (MWD). During mechanical degradation, the MWD changes as higher components degrade into lower molecular weight fragments. The degradation rate of a given component of the MWD is related to the local shear/elongational stress within the porous medium and the concentration of the component (C /SUB i/ ). The model is used to match the results of experiments studying the shear degradation of polyacrylamide (PAM) in radial sandstone cores. The quantitative predictions of the model are very satisfactory. In addition, the model gives insight into the mechanism of shear degradation of polymers in porous media.

  8. Calculation and modeling of the energy released in result of water freezing process (WFP)

    NASA Astrophysics Data System (ADS)

    Ghodsi Hassanabad, M.; Mehrbadi, A. Dehghani

    Process of water freezing in different pressures has been studied with appropriate accuracy and freezing phenomenon has been tested in variety conditions. The effects of pressure on volume change in constant volume and constant pressure have also been reviewed. Calculation of these changes has been done by using the finite difference. Therefore, experimental model has been designed and built to validate these calculations and this experimental model has been studied the power of freezing water during the freezing process in different conditions. Finally, the results were used to design a machine that has an ability to control the power of freezing and turn it into a new clean energy. In this machine, some water is frozen due to temperature difference that is exerting between day and night and energy which is produced by this reaction consumes for creating electrical energy. The amount of extractable power from the temperature difference between day and night were calculated in different temperatures. As an overall result, the most energy extracted from freezing in one cubic meters water with a temperature below -22 °C during the night is 12.8 MJ, the equivalent of using 356 W for 10 h.

  9. Monte Carlo photon beam modeling and commissioning for radiotherapy dose calculation algorithm.

    PubMed

    Toutaoui, A; Ait chikh, S; Khelassi-Toutaoui, N; Hattali, B

    2014-11-01

    The aim of the present work was a Monte Carlo verification of the Multi-grid superposition (MGS) dose calculation algorithm implemented in the CMS XiO (Elekta) treatment planning system and used to calculate the dose distribution produced by photon beams generated by the linear accelerator (linac) Siemens Primus. The BEAMnrc/DOSXYZnrc (EGSnrc package) Monte Carlo model of the linac head was used as a benchmark. In the first part of the work, the BEAMnrc was used for the commissioning of a 6 MV photon beam and to optimize the linac description to fit the experimental data. In the second part, the MGS dose distributions were compared with DOSXYZnrc using relative dose error comparison and γ-index analysis (2%/2 mm, 3%/3 mm), in different dosimetric test cases. Results show good agreement between simulated and calculated dose in homogeneous media for square and rectangular symmetric fields. The γ-index analysis confirmed that for most cases the MGS model and EGSnrc doses are within 3% or 3 mm.

  10. Analytical Fractal Model for Calculating Effective Thermal Conductivity of the Fibrous Porous Materials.

    PubMed

    Kan, An-Kang; Cao, Dan; Zhang, Xue-Lai

    2015-04-01

    Accurately predicting the effective thermal conductivity of the fibrous materials is highly desirable but remains to be a challenging work. In this paper, the microstructure of the porous fiber materials is analyzed, approximated and modeled on basis of the statistical self-similarity of fractal theory. A fractal model is presented to accurately calculate the effective thermal conductivity of fibrous porous materials. Taking the two-phase heat transfer effect into account, the existing statistical microscopic geometrical characteristics are analyzed and the Hertzian Contact solution is introduced to calculate the thermal resistance of contact points. Using the fractal method, the impacts of various factors, including the porosity, fiber orientation, fractal diameter and dimension, rarified air pressure, bulk thermal conductivity coefficient, thickness and environment condition, on the effective thermal conductivity, are analyzed. The calculation results show that the fiber orientation angle caused the material effective thermal conductivity to be anisotropic, and normal distribution is introduced into the mathematic function. The effective thermal conductivity of fibrous material increases with the fiber fractal diameter, fractal dimension and rarefied air pressure within the materials, but decreases with the increase of vacancy porosity.

  11. Application of ab-initio calculations to modeling of nanoscale diffusion and activation in silicon

    NASA Astrophysics Data System (ADS)

    Diebel, Milan

    As ULSI devices enter the nanoscale, ultra-shallow and highly electrically active junctions become necessary. New materials and 3D device structures as well as new process technologies are under exploration to meet the requirements of future devices. A detailed understanding of the atomistic mechanisms of point-defect/dopant interactions which govern diffusion and activation behavior is required to overcome the challenges in building these devices. This dissertation describes how ab-initio calculations can be used to develop physical models of diffusion and activation in silicon. A hierarchy of approaches (ab-initio, kinetic lattice Monte Carlo, continuum) is used to bridge the gaps in time scale and system size between atomistic calculations and nanoscale devices. This modeling approach is demonstrated by investigating two very different challenges in process technology: F co-implantation and stress effects on dopant diffusion/activation. In the first application, ab-initio calculations are used to understand anomalous F diffusion behavior. A set of strongly bound fluorine vacancy complexes (FnVm ) were found. The decoration of vacancies/dangling silicon bonds by fluorine leads to fluorine accumulating in vacancy rich regions, which explains the fluorine redistribution behavior reported experimentally. The revealed interactions of F with point-defects explain the benefits of F co-implantation for B and P activation and diffusion. Based on the insight gained, a simplified F diffusion model at the continuum level (50--100 nm scale) is extracted that accounts for co-implantation effects on B and P for various implant energies and doses. The second application addresses the effect of stress on point-defect/dopant equilibrium concentration, diffusion, and activation. A methodology is developed to extract detailed stress effects from ab-initio calculations. The approach is used to extract induced strains and elasticity tensors for various defects and impurities in order

  12. Model-based dose calculations for {sup 125}I lung brachytherapy

    SciTech Connect

    Sutherland, J. G. H.; Furutani, K. M.; Garces, Y. I.; Thomson, R. M.

    2012-07-15

    Purpose: Model-baseddose calculations (MBDCs) are performed using patient computed tomography (CT) data for patients treated with intraoperative {sup 125}I lung brachytherapy at the Mayo Clinic Rochester. Various metallic artifact correction and tissue assignment schemes are considered and their effects on dose distributions are studied. Dose distributions are compared to those calculated under TG-43 assumptions. Methods: Dose distributions for six patients are calculated using phantoms derived from patient CT data and the EGSnrc user-code BrachyDose. {sup 125}I (GE Healthcare/Oncura model 6711) seeds are fully modeled. Four metallic artifact correction schemes are applied to the CT data phantoms: (1) no correction, (2) a filtered back-projection on a modified virtual sinogram, (3) the reassignment of CT numbers above a threshold in the vicinity of the seeds, and (4) a combination of (2) and (3). Tissue assignment is based on voxel CT number and mass density is assigned using a CT number to mass density calibration. Three tissue assignment schemes with varying levels of detail (20, 11, and 5 tissues) are applied to metallic artifact corrected phantoms. Simulations are also performed under TG-43 assumptions, i.e., seeds in homogeneous water with no interseed attenuation. Results: Significant dose differences (up to 40% for D{sub 90}) are observed between uncorrected and metallic artifact corrected phantoms. For phantoms created with metallic artifact correction schemes (3) and (4), dose volume metrics are generally in good agreement (less than 2% differences for all patients) although there are significant local dose differences. The application of the three tissue assignment schemes results in differences of up to 8% for D{sub 90}; these differences vary between patients. Significant dose differences are seen between fully modeled and TG-43 calculations with TG-43 underestimating the dose (up to 36% in D{sub 90}) for larger volumes containing higher proportions of

  13. A comparison of three radiation models for the calculation of nozzle arcs

    NASA Astrophysics Data System (ADS)

    Dixon, C. M.; Yan, J. D.; Fang, M. T. C.

    2004-12-01

    Three radiation models, the semi-empirical model based on net emission coefficients (Zhang et al 1987 J. Phys. D: Appl. Phys. 20 386-79), the five-band P1 model (Eby et al 1998 J. Phys. D: Appl. Phys. 31 1578-88), and the method of partial characteristics (Aubrecht and Lowke 1994 J. Phys. D: Appl.Phys. 27 2066-73, Sevast'yanenko 1979 J. Eng. Phys. 36 138-48), are used to calculate the radiation transfer in an SF6 nozzle arc. The temperature distributions computed by the three models are compared with the measurements of Leseberg and Pietsch (1981 Proc. 4th Int. Symp. on Switching Arc Phenomena (Lodz, Poland) pp 236-40) and Leseberg (1982 PhD Thesis RWTH Aachen, Germany). It has been found that all three models give similar distributions of radiation loss per unit time and volume. For arcs burning in axially dominated flow, such as arcs in nozzle flow, the semi-empirical model and the P1 model give accurate predictions when compared with experimental results. The prediction by the method of partial characteristics is poorest. The computational cost is the lowest for the semi-empirical model.

  14. Recalibration of the Shear Stress Transport Model to Improve Calculation of Shock Separated Flows

    NASA Technical Reports Server (NTRS)

    Georgiadis, Nicholas J.; Yoder, Dennis A.

    2013-01-01

    The Menter Shear Stress Transport (SST) k . turbulence model is one of the most widely used two-equation Reynolds-averaged Navier-Stokes turbulence models for aerodynamic analyses. The model extends Menter s baseline (BSL) model to include a limiter that prevents the calculated turbulent shear stress from exceeding a prescribed fraction of the turbulent kinetic energy via a proportionality constant, a1, set to 0.31. Compared to other turbulence models, the SST model yields superior predictions of mild adverse pressure gradient flows including those with small separations. In shock - boundary layer interaction regions, the SST model produces separations that are too large while the BSL model is on the other extreme, predicting separations that are too small. In this paper, changing a1 to a value near 0.355 is shown to significantly improve predictions of shock separated flows. Several cases are examined computationally and experimental data is also considered to justify raising the value of a1 used for shock separated flows.

  15. Calculations of axisymmetric vortex sheet roll-up using a panel and a filament model

    NASA Technical Reports Server (NTRS)

    Kantelis, J. P.; Widnall, S. E.

    1986-01-01

    A method for calculating the self-induced motion of a vortex sheet using discrete vortex elements is presented. Vortex panels and vortex filaments are used to simulate two-dimensional and axisymmetric vortex sheet roll-up. A straight forward application using vortex elements to simulate the motion of a disk of vorticity with an elliptic circulation distribution yields unsatisfactroy results where the vortex elements move in a chaotic manner. The difficulty is assumed to be due to the inability of a finite number of discrete vortex elements to model the singularity at the sheet edge and due to large velocity calculation errors which result from uneven sheet stretching. A model of the inner portion of the spiral is introduced to eliminate the difficulty with the sheet edge singularity. The model replaces the outermost portion of the sheet with a single vortex of equivalent circulation and a number of higher order terms which account for the asymmetry of the spiral. The resulting discrete vortex model is applied to both two-dimensional and axisymmetric sheets. The two-dimensional roll-up is compared to the solution for a semi-infinite sheet with good results.

  16. Direct calculation of ice homogeneous nucleation rate for a molecular model of water

    PubMed Central

    Haji-Akbari, Amir; Debenedetti, Pablo G.

    2015-01-01

    Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure, and atmospheric clouds. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water. For molecular models, only indirect estimates have been obtained, e.g., by assuming the validity of classical nucleation theory. We use a path sampling approach to perform, to our knowledge, the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice, the most accurate among existing molecular models for studying ice polymorphs. By using a novel topological approach to distinguish different polymorphs, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice in the early stages of nucleation. In this competition, the cubic polymorph takes over because the addition of new topological structural motifs consistent with cubic ice leads to the formation of more compact crystallites. This is not true for topological hexagonal motifs, which give rise to elongated crystallites that are not able to grow. This leads to transition states that are rich in cubic ice, and not the thermodynamically stable hexagonal polymorph. This mechanism provides a molecular explanation for the earlier experimental and computational observations of the preference for cubic ice in the literature. PMID:26240318

  17. A Comparison of Model Calculation and Measurement of Absorbed Dose for Proton Irradiation. Chapter 5

    NASA Technical Reports Server (NTRS)

    Zapp, N.; Semones, E.; Saganti, P.; Cucinotta, F.

    2003-01-01

    With the increase in the amount of time spent EVA that is necessary to complete the construction and subsequent maintenance of ISS, it will become increasingly important for ground support personnel to accurately characterize the radiation exposures incurred by EVA crewmembers. Since exposure measurements cannot be taken within the organs of interest, it is necessary to estimate these exposures by calculation. To validate the methods and tools used to develop these estimates, it is necessary to model experiments performed in a controlled environment. This work is such an effort. A human phantom was outfitted with detector equipment and then placed in American EMU and Orlan-M EVA space suits. The suited phantom was irradiated at the LLUPTF with proton beams of known energies. Absorbed dose measurements were made by the spaceflight operational dosimetrist from JSC at multiple sites in the skin, eye, brain, stomach, and small intestine locations in the phantom. These exposures are then modeled using the BRYNTRN radiation transport code developed at the NASA Langley Research Center, and the CAM (computerized anatomical male) human geometry model of Billings and Yucker. Comparisons of absorbed dose calculations with measurements show excellent agreement. This suggests that there is reason to be confident in the ability of both the transport code and the human body model to estimate proton exposure in ground-based laboratory experiments.

  18. Calculations of inflaton decays and reheating: with applications to no-scale inflation models

    SciTech Connect

    Ellis, John; Garcia, Marcos A.G.; Nanopoulos, Dimitri V.; Olive, Keith A.

    2015-07-30

    We discuss inflaton decays and reheating in no-scale Starobinsky-like models of inflation, calculating the effective equation-of-state parameter, w, during the epoch of inflaton decay, the reheating temperature, T{sub reh}, and the number of inflationary e-folds, N{sub ∗}, comparing analytical approximations with numerical calculations. We then illustrate these results with applications to models based on no-scale supergravity and motivated by generic string compactifications, including scenarios where the inflaton is identified as an untwisted-sector matter field with direct Yukawa couplings to MSSM fields, and where the inflaton decays via gravitational-strength interactions. Finally, we use our results to discuss the constraints on these models imposed by present measurements of the scalar spectral index n{sub s} and the tensor-to-scalar perturbation ratio r, converting them into constraints on N{sub ∗}, the inflaton decay rate and other parameters of specific no-scale inflationary models.

  19. The modeler's influence on calculated solubilities for performance assessments at the Aspo Hard-rock Laboratory

    USGS Publications Warehouse

    Ernren, A.T.; Arthur, R.; Glynn, P.D.; McMurry, J.

    1999-01-01

    Four researchers were asked to provide independent modeled estimates of the solubility of a radionuclide solid phase, specifically Pu(OH)4, under five specified sets of conditions. The objectives of the study were to assess the variability in the results obtained and to determine the primary causes for this variability.In the exercise, modelers were supplied with the composition, pH and redox properties of the water and with a description of the mineralogy of the surrounding fracture system A standard thermodynamic data base was provided to all modelers. Each modeler was encouraged to use other data bases in addition to the standard data base and to try different approaches to solving the problem.In all, about fifty approaches were used, some of which included a large number of solubility calculations. For each of the five test cases, the calculated solubilities from different approaches covered several orders of magnitude. The variability resulting from the use of different thermodynamic data bases was in most cases, far smaller than that resulting from the use of different approaches to solving the problem.

  20. Modified two-fluid model of conductivity for superconducting surface resistance calculation. Master's thesis

    SciTech Connect

    Linden, D.S.

    1993-05-01

    The traditional two-fluid model of superconducting conductivity was modified to make it accurate, while remaining fast, for designing and simulating microwave devices. The modification reflects the BCS coherence effects in the conductivity of a superconductor, and is incorporated through the ratio of normal to superconducting electrons. This modified ratio is a simple analytical expression which depends on frequency, temperature and material parameters. This modified two-fluid model allows accurate and rapid calculation of the microwave surface impedance of a superconductor in the clean and dirty limits and in the weak- and strong-coupled regimes. The model compares well with surface resistance data for Nb and provides insight into Nb3Sn and Y1Ba2Cu3O(7-delta). Numerical calculations with the modified two-fluid model are an order of magnitude faster than the quasi-classical program by Zimmermann (1), and two to five orders of magnitude faster than Halbritter's BCS program (2) for surface resistance.

  1. Direct calculation of ice homogeneous nucleation rate for a molecular model of water.

    PubMed

    Haji-Akbari, Amir; Debenedetti, Pablo G

    2015-08-25

    Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure, and atmospheric clouds. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water. For molecular models, only indirect estimates have been obtained, e.g., by assuming the validity of classical nucleation theory. We use a path sampling approach to perform, to our knowledge, the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice, the most accurate among existing molecular models for studying ice polymorphs. By using a novel topological approach to distinguish different polymorphs, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice in the early stages of nucleation. In this competition, the cubic polymorph takes over because the addition of new topological structural motifs consistent with cubic ice leads to the formation of more compact crystallites. This is not true for topological hexagonal motifs, which give rise to elongated crystallites that are not able to grow. This leads to transition states that are rich in cubic ice, and not the thermodynamically stable hexagonal polymorph. This mechanism provides a molecular explanation for the earlier experimental and computational observations of the preference for cubic ice in the literature.

  2. Power and sample size calculations for generalized regression models with covariate measurement error.

    PubMed

    Tosteson, Tor D; Buzas, Jeffrey S; Demidenko, Eugene; Karagas, Margaret

    2003-04-15

    Covariate measurement error is often a feature of scientific data used for regression modelling. The consequences of such errors include a loss of power of tests of significance for the regression parameters corresponding to the true covariates. Power and sample size calculations that ignore covariate measurement error tend to overestimate power and underestimate the actual sample size required to achieve a desired power. In this paper we derive a novel measurement error corrected power function for generalized linear models using a generalized score test based on quasi-likelihood methods. Our power function is flexible in that it is adaptable to designs with a discrete or continuous scalar covariate (exposure) that can be measured with or without error, allows for additional confounding variables and applies to a broad class of generalized regression and measurement error models. A program is described that provides sample size or power for a continuous exposure with a normal measurement error model and a single normal confounder variable in logistic regression. We demonstrate the improved properties of our power calculations with simulations and numerical studies. An example is given from an ongoing study of cancer and exposure to arsenic as measured by toenail concentrations and tap water samples.

  3. Very narrow band model calculations of atmospheric fluxes and cooling rates

    SciTech Connect

    Bernstein, L.S.; Berk, A.; Acharya, P.K.; Robertson, D.C.

    1996-10-15

    A new very narrow band model (VNBM) approach has been developed and incorporated into the MODTRAN atmospheric transmittance-radiance code. The VNBM includes a computational spectral resolution of 1 cm{sup {minus}1}, a single-line Voigt equivalent width formalism that is based on the Rodgers-Williams approximation and accounts for the finite spectral width of the interval, explicit consideration of line tails, a statistical line overlap correction, a new sublayer integration approach that treats the effect of the sublayer temperature gradient on the path radiance, and the Curtis-Godson (CG) approximation for inhomogeneous paths. A modified procedure for determining the line density parameter 1/d is introduced, which reduces its magnitude. This results in a partial correction of the VNBM tendency to overestimate the interval equivalent widths. The standard two parameter CG approximation is used for H{sub 2}O and CO{sub 2}, while the Goody three parameter CG approximation is used for O{sub 3}. Atmospheric flux and cooling rate predictions using a research version of MODTRAN, MODR, are presented for H{sub 2}O (with and without the continuum), CO{sub 2}, and O{sub 3} for several model atmospheres. The effect of doubling the CO{sub 2} concentration is also considered. These calculations are compared to line-by-line (LBL) model calculations using the AER, GLA, GFDL, and GISS codes. The MODR predictions fall within the spread of the LBL results. The effects of decreasing the band model spectral resolution are illustrated using CO{sub 2} cooling rate and flux calculations. 36 refs., 18 figs., 1 tab.

  4. Solar particle events observed at Mars: dosimetry measurements and model calculations.

    PubMed

    Cleghorn, Timothy F; Saganti, Premkumar B; Zeitlin, Cary J; Cucinotta, Francis A

    2004-01-01

    During the period from March 13, 2002 to mid-September, 2002, six solar particle events (SPE) were observed by the MARIE instrument onboard the Odyssey Spacecraft in Martian Orbit. These events were observed also by the GOES 8 satellite in Earth orbit, and thus represent the first time that the same SPE have been observed at these separate locations. The characteristics of these SPE are examined, given that the active regions of the solar disc from which the event originated can usually be identified. The dose rates at Martian orbit are calculated, both for the galactic and solar components of the ionizing particle radiation environment. The dose rates due to galactic cosmic rays (GCR) agree well with the HZETRN model calculations.

  5. Sensitivity of model calculations to uncertain inputs, with an application to neutron star envelopes

    NASA Technical Reports Server (NTRS)

    Epstein, R. I.; Gudmundsson, E. H.; Pethick, C. J.

    1983-01-01

    A method is given for determining the sensitivity of certain types of calculations to the uncertainties in the input physics or model parameters; this method is applicable to problems that involve solutions to coupled, ordinary differential equations. In particular the sensitivity of calculations of the thermal structure of neutron star envelopes to uncertainties in the opacity and equation of state is examined. It is found that the uncertainties in the relationship between the surface and interior temperatures of a neutron star are due almost entirely to the imprecision in the values of the conductive opacity in the region where the ions form a liquid; here the conductive opacity is, for the most part, due to the scattering of electrons from ions.

  6. Solar particle events observed at Mars: dosimetry measurements and model calculations

    NASA Technical Reports Server (NTRS)

    Cleghorn, Timothy F.; Saganti, Premkumar B.; Zeitlin, Cary J.; Cucinotta, Francis A.

    2004-01-01

    During the period from March 13, 2002 to mid-September, 2002, six solar particle events (SPE) were observed by the MARIE instrument onboard the Odyssey Spacecraft in Martian Orbit. These events were observed also by the GOES 8 satellite in Earth orbit, and thus represent the first time that the same SPE have been observed at these separate locations. The characteristics of these SPE are examined, given that the active regions of the solar disc from which the event originated can usually be identified. The dose rates at Martian orbit are calculated, both for the galactic and solar components of the ionizing particle radiation environment. The dose rates due to galactic cosmic rays (GCR) agree well with the HZETRN model calculations. Published by Elsevier Ltd on behalf of COSPAR.

  7. Model-based calculations of fiber output fields for fiber-based spectroscopy

    NASA Astrophysics Data System (ADS)

    Hernandez, Eloy; Bodenmüller, Daniel; Roth, Martin M.; Kelz, Andreas

    2016-08-01

    The accurate characterization of the field at the output of the optical fibres is of relevance for precision spectroscopy in astronomy. The modal effects of the fibre translate to the illumination of the pupil in the spectrograph and impact on the resulting point spread function (PSF). A Model is presented that is based on the Eigenmode Expansion Method (EEM) that calculates the output field from a given fibre for different manipulations of the input field. The fibre design and modes calculation are done via the commercially available Rsoft-FemSIM software. We developed a Python script to apply the EEM. Results are shown for different configuration parameters, such as spatial and angular displacements of the input field, spot size and propagation length variations, different transverse fibre geometries and different wavelengths. This work is part of the phase A study of the fibre system for MOSAIC, a proposed multi-object spectrograph for the European Extremely Large Telescope (ELT-MOS).

  8. Calculation of the wetting parameter from a cluster model in the framework of nanothermodynamics.

    PubMed

    García-Morales, V; Cervera, J; Pellicer, J

    2003-06-01

    The critical wetting parameter omega(c) determines the strength of interfacial fluctuations in critical wetting transitions. In this Brief Report, we calculate omega(c) from considerations on critical liquid clusters inside a vapor phase. The starting point is a cluster model developed by Hill and Chamberlin in the framework of nanothermodynamics [Proc. Natl. Acad. Sci. USA 95, 12779 (1998)]. Our calculations yield results for omega(c) between 0.52 and 1.00, depending on the degrees of freedom considered. The findings are in agreement with previous experimental results and give an idea of the universal dynamical behavior of the clusters when approaching criticality. We suggest that this behavior is a combination of translation and vortex rotational motion (omega(c)=0.84).

  9. Calculating model of light transmission efficiency of diffusers attached to a lighting cavity.

    PubMed

    Sun, Ching-Cherng; Chien, Wei-Ting; Moreno, Ivan; Hsieh, Chih-To; Lin, Mo-Cha; Hsiao, Shu-Li; Lee, Xuan-Hao

    2010-03-15

    A lighting cavity is a reflecting box with light sources inside. Its exit side is covered with a diffuser plate to mix and distribute light, which addresses a key issue of luminaires, display backlights, and other illumination systems. We derive a simple but precise formula for the optical efficiency of diffuser plates attached to a light cavity. We overcome the complexity of the scattering theory and the difficulty of the multiple calculations involved, by carrying out the calculation with a single ray of light that statistically represents all the scattered rays. We constructed and tested several optical cavities using light-emitting diodes, bulk-scattering diffusers, white scatter sheets, and silver coatings. All measurements are in good agreement with predictions from our optical model.

  10. Synthesis, spectroscopic characterization and DFT calculations of β-O-4 type lignin model compounds

    NASA Astrophysics Data System (ADS)

    Mostaghni, Fatemeh; Teimouri, Abbas; Mirshokraei, Seyed Ahmad

    2013-06-01

    β-O-4 type lignin model compounds with the title of Erythro-2-(2-methoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1,3-propanediol and Erythro-2-(2-methoxyphenoxy)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3-propanediol were synthesised and some modifications and improvements on them were introduced. These compounds were characterized by IR, Mass and NMR spectroscopy. Density functional theory (DFT) calculations were performed for the title compounds using the standard 6-31G* basis set. IR, 13C and 1H NMR of the title compounds were calculated at the DFT-B3LYP level of theory using the 6-31G* basis set. In this work comparison between the experimental and the theoretical results indicates that the DFT-B3LYP method is able to provide satisfactory results for predicting the properties of the considered compounds.

  11. An equivalent circuit model and power calculations for the APS SPX crab cavities.

    SciTech Connect

    Berenc, T. )

    2012-03-21

    An equivalent parallel resistor-inductor-capacitor (RLC) circuit with beam loading for a polarized TM110 dipole-mode cavity is developed and minimum radio-frequency (rf) generator requirements are calculated for the Advanced Photon Source (APS) short-pulse x-ray (SPX) superconducting rf (SRF) crab cavities. A beam-loaded circuit model for polarized TM110 mode crab cavities was derived. The single-cavity minimum steady-state required generator power has been determined for the APS SPX crab cavities for a storage ring current of 200mA DC current as a function of external Q for various vertical offsets including beam tilt and uncontrollable detuning. Calculations to aid machine protection considerations were given.

  12. Validation of the photon dose calculation model in the VARSKIN 4 skin dose computer code.

    PubMed

    Sherbini, Sami; Decicco, Joseph; Struckmeyer, Richard; Saba, Mohammad; Bush-Goddard, Stephanie

    2012-12-01

    An updated version of the skin dose computer code VARSKIN, namely VARSKIN 4, was examined to determine the accuracy of the photon model in calculating dose rates with different combinations of source geometry and radionuclides. The reference data for this validation were obtained by means of Monte Carlo transport calculations using MCNP5. The geometries tested included the zero volume sources point and disc, as well as the volume sources sphere and cylinder. Three geometries were tested using source directly on the skin, source off the skin with an absorber material between source and skin, and source off the skin with only an air gap between source and skin. The results of these calculations showed that the non-volume sources produced dose rates that were in very good agreement with the Monte Carlo calculations, but the volume sources resulted in overestimates of the dose rates compared with the Monte Carlo results by factors that ranged up to about 2.5. The results for the air gap showed poor agreement with Monte Carlo for all source geometries, with the dose rates overestimated in all cases. The conclusion was that, for situations where the beta dose is dominant, these results are of little significance because the photon dose in such cases is generally a very small fraction of the total dose. For situations in which the photon dose is dominant, use of the point or disc geometries should be adequate in most cases except those in which the dose approaches or exceeds an applicable limit. Such situations will often require a more accurate dose assessment and may require the use of methods such as Monte Carlo transport calculations.

  13. SU-E-T-226: Correction of a Standard Model-Based Dose Calculator Using Measurement Data

    SciTech Connect

    Chen, M; Jiang, S; Lu, W

    2015-06-15

    Purpose: To propose a hybrid method that combines advantages of the model-based and measurement-based method for independent dose calculation. Modeled-based dose calculation, such as collapsed-cone-convolution/superposition (CCCS) or the Monte-Carlo method, models dose deposition in the patient body accurately; however, due to lack of detail knowledge about the linear accelerator (LINAC) head, commissioning for an arbitrary machine is tedious and challenging in case of hardware changes. On the contrary, the measurement-based method characterizes the beam property accurately but lacks the capability of dose disposition modeling in heterogeneous media. Methods: We used a standard CCCS calculator, which is commissioned by published data, as the standard model calculator. For a given machine, water phantom measurements were acquired. A set of dose distributions were also calculated using the CCCS for the same setup. The difference between the measurements and the CCCS results were tabulated and used as the commissioning data for a measurement based calculator. Here we used a direct-ray-tracing calculator (ΔDRT). The proposed independent dose calculation consists of the following steps: 1. calculate D-model using CCCS. 2. calculate D-ΔDRT using ΔDRT. 3. combine Results: D=D-model+D-ΔDRT. Results: The hybrid dose calculation was tested on digital phantoms and patient CT data for standard fields and IMRT plan. The results were compared to dose calculated by the treatment planning system (TPS). The agreement of the hybrid and the TPS was within 3%, 3 mm for over 98% of the volume for phantom studies and lung patients. Conclusion: The proposed hybrid method uses the same commissioning data as those for the measurement-based method and can be easily extended to any non-standard LINAC. The results met the accuracy, independence, and simple commissioning criteria for an independent dose calculator.

  14. Calculating the renormalisation group equations of a SUSY model with Susyno

    NASA Astrophysics Data System (ADS)

    Fonseca, Renato M.

    2012-10-01

    Susyno is a Mathematica package dedicated to the computation of the 2-loop renormalisation group equations of a supersymmetric model based on any gauge group (the only exception being multiple U(1) groups) and for any field content. Program summary Program title: Susyno Catalogue identifier: AEMX_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEMX_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.: 30829 No. of bytes in distributed program, including test data, etc.: 650170 Distribution format: tar.gz Programming language: Mathematica 7 or higher. Computer: All systems that Mathematica 7+ is available for (PC, Mac). Operating system: Any platform supporting Mathematica 7+ (Windows, Linux, Mac OS). Classification: 4.2, 5, 11.1. Nature of problem: Calculating the renormalisation group equations of a supersymmetric model involves using long and complicated general formulae [1, 2]. In addition, to apply them it is necessary to know the Lagrangian in its full form. Building the complete Lagrangian of models with small representations of SU(2) and SU(3) might be easy but in the general case of arbitrary representations of an arbitrary gauge group, this task can be hard, lengthy and error prone. Solution method: The Susyno package uses group theoretical functions to calculate the super-potential and the soft-SUSY-breaking Lagrangian of a supersymmetric model, and calculates the two-loop RGEs of the model using the general equations of [1, 2]. Susyno works for models based on any representation(s) of any gauge group (the only exception being multiple U(1) groups). Restrictions: As the program is based on the formalism of [1, 2], it shares its limitations. Running time can also be a significant restriction, in particular for models with many fields. Unusual features

  15. A model for calculating effects of liquid waste disposal in deep saline aquifers

    USGS Publications Warehouse

    Intercomp Resource Development and Engineering, Inc.

    1976-01-01

    A transient, three-dimensional subsurface waste-disposal model has been developed to provide methodology to design and test waste-disposal systems. The model is a finite-difference solution to the pressure, energy, and mass-transport equations. Equation parameters such as viscosity and density are allowed to be functions of the equations ' dependent variables. Multiple user options allow the choice of x, y, and z cartesian or r and z radial coordinates, various finite-difference methods, iterative and direct matrix solution techniques, restart options , and various provisions for output display. The addition of well-bore heat and pressure-loss calculations to the model makes available to the ground-water hydrologist the most recent advances from the oil and gas reservoir engineering field. (Woodard-USGS)

  16. Improved ground hydrology calculations for global climate models (GCMs) - Soil water movement and evapotranspiration

    NASA Technical Reports Server (NTRS)

    Abramopoulos, F.; Rosenzweig, C.; Choudhury, B.

    1988-01-01

    A physically based ground hydrology model is presented that includes the processes of transpiration, evaporation from intercepted precipitation and dew, evaporation from bare soil, infiltration, soil water flow, and runoff. Data from the Goddard Institute for Space Studies GCM were used as inputs for off-line tests of the model in four 8 x 10 deg regions, including Brazil, Sahel, Sahara, and India. Soil and vegetation input parameters were caculated as area-weighted means over the 8 x 10 deg gridbox; the resulting hydrological quantities were compared to ground hydrology model calculations performed on the 1 x 1 deg cells which comprise the 8 x 10 deg gridbox. Results show that the compositing procedure worked well except in the Sahel, where low soil water levels and a heterogeneous land surface produce high variability in hydrological quantities; for that region, a resolution better than 8 x 10 deg is needed.

  17. Isospin symmetry breaking and large-scale shell-model calculations with the Sakurai-Sugiura method

    NASA Astrophysics Data System (ADS)

    Mizusaki, Takahiro; Kaneko, Kazunari; Sun, Yang; Tazaki, Shigeru

    2015-05-01

    Recently isospin symmetry breaking for mass 60-70 region has been investigated based on large-scale shell-model calculations in terms of mirror energy differences (MED), Coulomb energy differences (CED) and triplet energy differences (TED). Behind these investigations, we have encountered a subtle problem in numerical calculations for odd-odd N = Z nuclei with large-scale shell-model calculations. Here we focus on how to solve this subtle problem by the Sakurai-Sugiura (SS) method, which has been recently proposed as a new diagonalization method and has been successfully applied to nuclear shell-model calculations.

  18. HENRY'S LAW CALCULATOR

    EPA Science Inventory

    On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

  19. Beyond Gaussians: a study of single-spot modeling for scanning proton dose calculation.

    PubMed

    Li, Yupeng; Zhu, Ronald X; Sahoo, Narayan; Anand, Aman; Zhang, Xiaodong

    2012-02-21

    Active spot scanning proton therapy is becoming increasingly adopted by proton therapy centers worldwide. Unlike passive-scattering proton therapy, active spot scanning proton therapy, especially intensity-modulated proton therapy, requires proper modeling of each scanning spot to ensure accurate computation of the total dose distribution contributed from a large number of spots. During commissioning of the spot scanning gantry at the Proton Therapy Center in Houston, it was observed that the long-range scattering protons in a medium may have been inadequately modeled for high-energy beams by a commercial treatment planning system, which could lead to incorrect prediction of field size effects on dose output. In this study, we developed a pencil beam algorithm for scanning proton dose calculation by focusing on properly modeling individual scanning spots. All modeling parameters required by the pencil beam algorithm can be generated based solely on a few sets of measured data. We demonstrated that low-dose halos in single-spot profiles in the medium could be adequately modeled with the addition of a modified Cauchy-Lorentz distribution function to a double-Gaussian function. The field size effects were accurately computed at all depths and field sizes for all energies, and good dose accuracy was also achieved for patient dose verification. The implementation of the proposed pencil beam algorithm also enabled us to study the importance of different modeling components and parameters at various beam energies. The results of this study may be helpful in improving dose calculation accuracy and simplifying beam commissioning and treatment planning processes for spot scanning proton therapy.

  20. A simple model for calculating tsunami flow speed from tsunami deposits

    USGS Publications Warehouse

    Jaffe, B.E.; Gelfenbuam, G.

    2007-01-01

    This paper presents a simple model for tsunami sedimentation that can be applied to calculate tsunami flow speed from the thickness and grain size of a tsunami deposit (the inverse problem). For sandy tsunami deposits where grain size and thickness vary gradually in the direction of transport, tsunami sediment transport is modeled as a steady, spatially uniform process. The amount of sediment in suspension is assumed to be in equilibrium with the steady portion of the long period, slowing varying uprush portion of the tsunami. Spatial flow deceleration is assumed to be small and not to contribute significantly to the tsunami deposit. Tsunami deposits are formed from sediment settling from the water column when flow speeds on land go to zero everywhere at the time of maximum tsunami inundation. There is little erosion of the deposit by return flow because it is a slow flow and is concentrated in topographic lows. Variations in grain size of the deposit are found to have more effect on calculated tsunami flow speed than deposit thickness. The model is tested using field data collected at Arop, Papua New Guinea soon after the 1998 tsunami. Speed estimates of 14??m/s at 200??m inland from the shoreline compare favorably with those from a 1-D inundation model and from application of Bernoulli's principle to water levels on buildings left standing after the tsunami. As evidence that the model is applicable to some sandy tsunami deposits, the model reproduces the observed normal grading and vertical variation in sorting and skewness of a deposit formed by the 1998 tsunami.

  1. Beyond Gaussians: a study of single spot modeling for scanning proton dose calculation

    PubMed Central

    Li, Yupeng; Zhu, Ronald X.; Sahoo, Narayan; Anand, Aman; Zhang, Xiaodong

    2013-01-01

    Active spot scanning proton therapy is becoming increasingly adopted by proton therapy centers worldwide. Unlike passive-scattering proton therapy, active spot scanning proton therapy, especially intensity-modulated proton therapy, requires proper modeling of each scanning spot to ensure accurate computation of the total dose distribution contributed from a large number of spots. During commissioning of the spot scanning gantry at the Proton Therapy Center in Houston, it was observed that the long-range scattering protons in a medium may have been inadequately modeled for high-energy beams by a commercial treatment planning system, which could lead to incorrect prediction of field-size effects on dose output. In the present study, we developed a pencil-beam algorithm for scanning-proton dose calculation by focusing on properly modeling individual scanning spots. All modeling parameters required by the pencil-beam algorithm can be generated based solely on a few sets of measured data. We demonstrated that low-dose halos in single-spot profiles in the medium could be adequately modeled with the addition of a modified Cauchy-Lorentz distribution function to a double-Gaussian function. The field-size effects were accurately computed at all depths and field sizes for all energies, and good dose accuracy was also achieved for patient dose verification. The implementation of the proposed pencil beam algorithm also enabled us to study the importance of different modeling components and parameters at various beam energies. The results of this study may be helpful in improving dose calculation accuracy and simplifying beam commissioning and treatment planning processes for spot scanning proton therapy. PMID:22297324

  2. A compressible near-wall turbulence model for boundary layer calculations

    NASA Technical Reports Server (NTRS)

    So, R. M. C.; Zhang, H. S.; Lai, Y. G.

    1992-01-01

    A compressible near-wall two-equation model is derived by relaxing the assumption of dynamical field similarity between compressible and incompressible flows. This requires justifications for extending the incompressible models to compressible flows and the formulation of the turbulent kinetic energy equation in a form similar to its incompressible counterpart. As a result, the compressible dissipation function has to be split into a solenoidal part, which is not sensitive to changes of compressibility indicators, and a dilational part, which is directly affected by these changes. This approach isolates terms with explicit dependence on compressibility so that they can be modeled accordingly. An equation that governs the transport of the solenoidal dissipation rate with additional terms that are explicitly dependent on the compressibility effects is derived similarly. A model with an explicit dependence on the turbulent Mach number is proposed for the dilational dissipation rate. Thus formulated, all near-wall incompressible flow models could be expressed in terms of the solenoidal dissipation rate and straight-forwardly extended to compressible flows. Therefore, the incompressible equations are recovered correctly in the limit of constant density. The two-equation model and the assumption of constant turbulent Prandtl number are used to calculate compressible boundary layers on a flat plate with different wall thermal boundary conditions and free-stream Mach numbers. The calculated results, including the near-wall distributions of turbulence statistics and their limiting behavior, are in good agreement with measurements. In particular, the near-wall asymptotic properties are found to be consistent with incompressible behavior; thus suggesting that turbulent flows in the viscous sublayer are not much affected by compressibility effects.

  3. A Numerical Method for Calculating Stellar Occultation Light Curves from an Arbitrary Atmospheric Model

    NASA Technical Reports Server (NTRS)

    Chamberlain, D. M.; Elliot, J. L.

    1997-01-01

    We present a method for speeding up numerical calculations of a light curve for a stellar occultation by a planetary atmosphere with an arbitrary atmospheric model that has spherical symmetry. This improved speed makes least-squares fitting for model parameters practical. Our method takes as input several sets of values for the first two radial derivatives of the refractivity at different values of model parameters, and interpolates to obtain the light curve at intermediate values of one or more model parameters. It was developed for small occulting bodies such as Pluto and Triton, but is applicable to planets of all sizes. We also present the results of a series of tests showing that our method calculates light curves that are correct to an accuracy of 10(exp -4) of the unocculted stellar flux. The test benchmarks are (i) an atmosphere with a l/r dependence of temperature, which yields an analytic solution for the light curve, (ii) an atmosphere that produces an exponential refraction angle, and (iii) a small-planet isothermal model. With our method, least-squares fits to noiseless data also converge to values of parameters with fractional errors of no more than 10(exp -4), with the largest errors occurring in small planets. These errors are well below the precision of the best stellar occultation data available. Fits to noisy data had formal errors consistent with the level of synthetic noise added to the light curve. We conclude: (i) one should interpolate refractivity derivatives and then form light curves from the interpolated values, rather than interpolating the light curves themselves; (ii) for the most accuracy, one must specify the atmospheric model for radii many scale heights above half light; and (iii) for atmospheres with smoothly varying refractivity with altitude, light curves can be sampled as coarsely as two points per scale height.

  4. PFLOW: A 3-D Numerical Modeling Tool for Calculating Fluid-Pressure Diffusion from Coulomb Strain

    NASA Astrophysics Data System (ADS)

    Wolf, L. W.; Lee, M.; Meir, A.; Dyer, G.; Ma, K.; Chan, C.

    2009-12-01

    A new 3D time-dependent pore-pressure diffusion model PFLOW is developed to investigate the response of pore fluids to the crustal deformation generated by strong earthquakes in heterogeneous geologic media. Given crustal strain generated by changes in Coulomb stress, this MATLAB-based code uses Skempton's coefficient to calculate resulting changes fluid pressure. Pore-pressure diffusion can be tracked over time in a user-defined model space with user-prescribed Neumann or Dirchilet boundary conditions and with spatially variable values of permeability. PFLOW employs linear or quadratic finite elements for spatial discretization and first order or second order, explicit or implicit finite difference discretization in time. PFLOW is easily interfaced with output from deformation modeling programs such as Coulomb (Toda et al., 2007) or 3D-DEF (Gomberg and Ellis, 1994). The code is useful for investigating to first-order the evolution of pore pressure changes induced by changes in Coulomb stress and their possible relation to water-level changes in wells or changes in stream discharge. It can also be used for student research and classroom instruction. As an example application, we calculate the coseismic pore pressure changes and diffusion induced by volumetric strain associated with the 1999 Chi-Chi earthquake (Mw = 7.6) in Taiwan. The Chi-Chi earthquake provides an unique opportunity to investigate the spatial and time-dependent poroelastic response of near-field rocks and sediments because there exist extensive observational data of water-level changes and crustal deformation. The integrated model allows us to explore whether changes in Coulomb stress can adequately explain hydrologic anomalies observed in areas such as Taiwan’s western foothills and the Choshui River alluvial plain. To calculate coseismic strain, we use the carefully calibrated finite fault-rupture model of Ma et al. (2005) and the deformation modeling code Coulomb 3.1 (Toda et al., 2007

  5. On the use of gridded daily temperature data to calculate the extended spring indices phenological models

    NASA Astrophysics Data System (ADS)

    Zurita-Milla, Raul; Mehdipoor, Hamed; Batarseh, Sana; Ault, Toby; Schwartz, Mark D.

    2014-05-01

    Models that predict the timing of recurrent biological events play an important role in supporting the systematic study of phenological changes at a variety of spatial and temporal scales. One set of such models are the extended Spring indices (SI-x). These models predicts a suite of phenological metrics ("first leaf" and "first bloom," "last freeze" and the "damage index") from temperature data and geographic location (to model the duration of the day). The SI-x models were calibrated using historical phenological and weather observations from the continental US. In particular, the models relied on first leaf and first bloom observations for lilac and honeysuckle and on daily minimum and maximum temperature values from a number of weather stations located near to the sites where phenological observations were made. In this work, we study the use of DAYMET (http://daymet.ornl.gov/) to calculate the SI-x models over the continental USA. DAYMET offers daily gridded maximum and minimum temperature values for the period 1980 to 2012. Using an automatic downloader, we downloaded complete DAYMET temperature time series for the over 1100 geographic locations where historical lilac observations were made. The temperature values were parsed and, using the recently available MATLAB code, the SI-x indices were calculated. Subsequently, the predicted first leaf and first bloom dates were compared with historical lilac observations. The RMSE between predicted and observed lilac leaf/bloom dates was calculated after identifying data from the same geographic location and year. Results were satisfactory for the lilac observations in the Eastern US (e.g. the RMSE for the blooming date was of about 5 days). However, the correspondence between the observed and predicted lilac values in the West was rather week (e.g. RMSE for the blooming date of about 22 days). This might indicate that DAYMET temperature data in this region of the US might contain larger uncertainties due to a more

  6. Calculation of velocity structure functions for vortex models of isotropic turbulence

    SciTech Connect

    Saffman, P.G.; Pullin, D.I.

    1996-11-01

    Velocity structure functions ({ital u}{sub {ital p}}{sup {prime}}{minus}{ital u}{sub {ital p}}){sup {ital m}} are calculated for vortex models of isotropic turbulence. An integral operator is introduced which defines an isotropic two-point field from a volume-orientation average for a specific solution of the Navier{endash}Stokes equations. Applying this to positive integer powers of the longitudinal velocity difference then gives explicit formulas for ({ital u}{sub {ital p}}{sup {prime}}{minus}{ital u}{sub {ital p}}){sup {ital m}} as a function of order {ital m} and of the scalar separation {ital r}. Special forms of the operator are then obtained for rectilinear stretched vortex models of the Townsend{endash}Lundgren type. Numerical results are given for the Burgers vortex and also for a realization of the Lundgren-strained spiral vortex, and comparison with experimental measurement is made. In an Appendix, we calculate values of the velocity-derivative moments for the Townsend{endash}Burgers model. {copyright} {ital 1996 American Institute of Physics.}

  7. Mathematical Model for a Simplified Calculation of the Input Momentum Coefficient for AFC Purposes

    NASA Astrophysics Data System (ADS)

    Hirsch, Damian; Gharib, Morteza

    2016-11-01

    Active Flow Control (AFC) is an emerging technology which aims at enhancing the aerodynamic performance of flight vehicles (i.e., to save fuel). A viable AFC system must consider the limited resources available on a plane for attaining performance goals. A higher performance goal (i.e., airplane incremental lift) demands a higher input fluidic requirement (i.e., mass flow rate). Therefore, the key requirement for a successful and practical design is to minimize power input while maximizing performance to achieve design targets. One of the most used design parameters is the input momentum coefficient Cμ. The difficulty associated with Cμ lies in obtaining the parameters for its calculation. In the literature two main approaches can be found, which both have their own disadvantages (assumptions, difficult measurements). A new, much simpler calculation approach will be presented that is based on a mathematical model that can be applied to most jet designs (i.e., steady or sweeping jets). The model-incorporated assumptions will be justified theoretically as well as experimentally. Furthermore, the model's capabilities are exploited to give new insight to the AFC technology and its physical limitations. Supported by Boeing.

  8. Direct Calculation of the Rate of Homogeneous Ice Nucleation for a Molecular Model of Water

    NASA Astrophysics Data System (ADS)

    Haji-Akbari, Amir; Debenedetti, Pablo

    Ice formation is ubiquitous in nature, with important consequences in many systems and environments. However, its intrinsic kinetics and mechanism are difficult to discern with experiments. Molecular simulations of ice nucleation are also challenging due to sluggish structural relaxation and the large nucleation barriers, and direct calculations of homogeneous nucleation rates have only been achieved for mW, a monoatomic coarse-grained model of water. For the more realistic molecular models, only indirect estimates have been obtained by assuming the validity of classical nucleation theory. Here, we use a coarse-grained variant of a path sampling approach known as forward-flux sampling to perform the first direct calculation of the homogeneous nucleation rate for TIP4P/Ice, which is the most accurate water model for studying ice polymorphs. By using a novel topological order parameter, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice polymorphs. In this competition, cubic ice wins as its growth leads to more compact crystallites

  9. Onsager and Kaufman's Calculation of the Spontaneous Magnetization of the Ising Model

    NASA Astrophysics Data System (ADS)

    Baxter, R. J.

    2011-11-01

    Lars Onsager announced in 1949 that he and Bruria Kaufman had proved a simple formula for the spontaneous magnetization of the square-lattice Ising model, but did not publish their derivation. It was three years later when C.N. Yang published a derivation in Physical Review. In 1971 Onsager gave some clues to his and Kaufman's method, and there are copies of their correspondence in 1950 now available on the Web and elsewhere. Here we review how the calculation appears to have developed, and add a copy of a draft paper, almost certainly by Onsager and Kaufman, that obtains the result.

  10. Microscopic calculation of interacting boson model parameters by potential-energy surface mapping

    SciTech Connect

    Bentley, I.; Frauendorf, S.

    2011-06-15

    A coherent state technique is used to generate an interacting boson model (IBM) Hamiltonian energy surface which is adjusted to match a mean-field energy surface. This technique allows the calculation of IBM Hamiltonian parameters, prediction of properties of low-lying collective states, as well as the generation of probability distributions of various shapes in the ground state of transitional nuclei, the last two of which are of astrophysical interest. The results for krypton, molybdenum, palladium, cadmium, gadolinium, dysprosium, and erbium nuclei are compared with experiment.

  11. An approximate framework for quantum transport calculation with model order reduction

    SciTech Connect

    Chen, Quan; Li, Jun; Yam, Chiyung; Zhang, Yu; Wong, Ngai; Chen, Guanhua

    2015-04-01

    A new approximate computational framework is proposed for computing the non-equilibrium charge density in the context of the non-equilibrium Green's function (NEGF) method for quantum mechanical transport problems. The framework consists of a new formulation, called the X-formulation, for single-energy density calculation based on the solution of sparse linear systems, and a projection-based nonlinear model order reduction (MOR) approach to address the large number of energy points required for large applied biases. The advantages of the new methods are confirmed by numerical experiments.

  12. Empirical model functions to calculate hematocrit-dependent optical properties of human blood

    NASA Astrophysics Data System (ADS)

    Meinke, Martina; Müller, Gerhard; Helfmann, Jürgen; Friebel, Moritz

    2007-04-01

    The absorption coefficient, scattering coefficient, and effective scattering phase function of human red blood cells (RBCs) in saline solution were determined for eight different hematocrits (Hcts) between 0.84% and 42.1% in the wavelength range of 250-1100 nm using integrating sphere measurements and inverse Monte Carlo simulation. To allow for biological variability, averaged optical parameters were determined under flow conditions for ten different human blood samples. Based on this standard blood, empirical model functions are presented for the calculation of Hct-dependent optical properties for the RBCs. Changes in the optical properties when saline solution is replaced by blood plasma as the suspension medium were also investigated.

  13. Shell-model calculations of beta-decay rates for s- and r-process nucleosyntheses

    NASA Astrophysics Data System (ADS)

    Takahashi, K.; Mathews, G. J.; Bloom, S. D.

    1985-10-01

    Examples of large-basis shell-model calculations of Gamow-Teller (BETA)-decay properties of specific interest in the astrophysical s- and r- processes are presented. Numerical results are given for: (1) the GT-matrix elements for the excited state decays of the unstable s-process nucleus Tc-99; and (2) the GT-strength function for the neutron-rich nucleus Cd-130, which lies on the r-process path. The results are discussed in conjunction with the astrophysics problems.

  14. Calculation and visualisation of future glacier extent in the Swiss Alps by means of hypsographic modelling

    NASA Astrophysics Data System (ADS)

    Paul, F.; Maisch, M.; Rothenbühler, C.; Hoelzle, M.; Haeberli, W.

    2007-02-01

    The observed rapid glacier wastage in the European Alps during the past 20 years already has strong impacts on the natural environment (rock fall, lake formation) as well as on human activities (tourism, hydro-power production, etc.) and poses several new challenges also for glacier monitoring. With a further increase of global mean temperature in the future, it is likely that Alpine glaciers and the high-mountain environment as an entire system will further develop into a state of imbalance. Hence, the assessment of future glacier geometries is a valuable prerequisite for various impact studies. In order to calculate and visualize in a consistent manner future glacier extent for a large number of individual glaciers (> 100) according to a given climate change scenario, we have developed an automated and simple but robust approach that is based on an empirical relationship between glacier size and the steady-state accumulation area ratio (AAR 0) in the Alps. The model requires digital glacier outlines and a digital elevation model (DEM) only and calculates new glacier geometries from a given shift of the steady-state equilibrium line altitude (ELA 0) by means of hypsographic modelling. We have calculated changes in number, area and volume for 3062 individual glacier units in Switzerland and applied six step changes in ELA 0 (from + 100 to + 600 m) combined with four different values of the AAR 0 (0.5, 0.6, 0.67, 0.75). For an AAR 0 of 0.6 and an ELA 0 rise of 200 m (400 m) we calculate a total area loss of - 54% (- 80%) and a corresponding volume loss of - 50% (- 78%) compared to the 1973 glacier extent. In combination with a geocoded satellite image, the future glacier outlines are also used for automated rendering of perspective visualisations. This is a very attractive tool for communicating research results to the general public. Our study is illustrated for a test site in the Upper Engadine (Switzerland), where landscape changes above timberline play an

  15. Model calculations for the retrieval of aerosols from satellite and aircraft radiances

    NASA Astrophysics Data System (ADS)

    Hickman, George D.; Souders, C.; Shettle, Eric P.; Duggin, Michael J.; Sweet, J. A.

    1993-09-01

    Model calculations of upwelling spectral radiances at aircraft and satellite altitudes have been made to assess the capability of different current and planned sensors to extract information on the atmospheric aerosols. The visible and near infrared channels on the AVHRR, CZCS, and SeaWiFS satellite sensors were used, as well as hypothetical multichannel instruments covering 400 - 1000 nm with bandwidths of 100, 20, or 10 nm. The sensitivity to the aerosol and environmental properties increased as the bandwidth of the channel decreased.

  16. An analytical model for calculating internal dose conversion coefficients for non-human biota.

    PubMed

    Amato, Ernesto; Italiano, Antonio

    2014-05-01

    To assess the radiation burden of non-human living organisms, dose coefficients are available in the literature, precalculated by assuming an ellipsoidal shape of each organism. A previously developed analytical method was applied for the determination of absorbed fractions inside ellipsoidal volumes from alpha, beta, and gamma radiations to the calculation of dose conversion coefficients (DCCs) for 15 reference organisms, animals and plants, either terrestrial, amphibian, or aquatic, and six radionuclides ((14)C, (90)Sr, (60)Co, (137)Cs, (238)U, and (241)Am). The results were compared with the reference values reported in Publication 108 of the International Commission on Radiological Protection, in which a different calculation approach for DCCs was employed. The results demonstrate that the present analytical method, originally intended for applications in internal dosimetry of nuclear medicine therapy, gives consistent results for all the beta-, beta-gamma-, and alpha-emitting radionuclides tested in a wide range of organism masses, between 8 mg and 1.3 kg. The applicability of the method proposed can take advantage from its ease of implementation in an ordinary electronic spreadsheet, allowing to calculate, for virtually all possible radionuclide emission spectra, the DCCs for ellipsoidal models of non-human living organisms in the environment.

  17. Precipitation in Microalloyed Steel by Model Alloy Experiments and Thermodynamic Calculations

    NASA Astrophysics Data System (ADS)

    Frisk, Karin; Borggren, Ulrika

    2016-10-01

    Precipitation in microalloyed steel has been studied by applying thermodynamic calculations based on a description of the Gibbs energies of the individual phases over the full multicomponent composition range. To validate and improve the thermodynamic description, new experimental investigations of the phase separation in the cubic carbides/nitrides/carbonitrides in alloys containing Nb, V, Mo, and Cr, have been performed. Model alloys were designed to obtain equilibrium carbides/carbonitrides that are sufficiently large for measurements of compositions, making it possible to study the partitioning of the elements into different precipitates, showing distinctly different composition sets. The reliability of the calculations, when applied to multicomponent alloys, was tested by comparing with published experimental studies of precipitation in microalloyed steel. It is shown that thermodynamic calculations accurately describe the observed precipitation sequences. Further, they can reproduce several important features of precipitation processes in microalloyed steel such as the partitioning of Mo between matrix and precipitates and the variation of precipitate compositions depending on precipitation temperature.

  18. Large uncertainty in soil carbon modelling related to carbon input calculation method

    NASA Astrophysics Data System (ADS)

    Keel, Sonja G.; Leifeld, Jens; Taghizadeh-Toosi, Arezoo; Oleson, Jørgen E.

    2016-04-01

    A model-based inventory for carbon (C) sinks and sources in agricultural soils is being established for Switzerland. As part of this project, five frequently used allometric equations that estimate soil C inputs based on measured yields are compared. To evaluate the different methods, we calculate soil C inputs for a long-term field trial in Switzerland. This DOK experiment (bio-Dynamic, bio-Organic, and conventional (German: Konventionell)) compares five different management systems, that are applied to identical crop rotations. Average calculated soil C inputs vary largely between allometric equations and range from 1.6 t C ha-1 yr-1 to 2.6 t C ha-1 yr-1. Among the most important crops in Switzerland, the uncertainty is largest for barley (difference between highest and lowest estimate: 3.0 t C ha-1 yr-1). For the unfertilized control treatment, the estimated soil C inputs vary less between allometric equations than for the treatment that received mineral fertilizer and farmyard manure. Most likely, this is due to the higher yields in the latter treatment, i.e. the difference between methods might be amplified because yields differ more. To evaluate the influence of these allometric equations on soil C dynamics we simulate the DOK trial for the years 1977-2004 using the model C-TOOL (Taghizadeh-Toosi et al. 2014) and the five different soil C input calculation methods. Across all treatments, C-TOOL simulates a decrease in soil C in line with the experimental data. This decline, however, varies between allometric equations (-2.4 t C ha-1 to -6.3 t C ha-1 for the years 1977-2004) and has the same order of magnitude as the difference between treatments. In summary, the method to estimate soil C inputs is identified as a significant source of uncertainty in soil C modelling. Choosing an appropriate allometric equation to derive the input data is thus a critical step when setting up a model-based national soil C inventory. References Taghizadeh-Toosi A et al. (2014) C

  19. Calculation of scalar structure functions from a vortex model of turbulent passive scalar transport

    NASA Astrophysics Data System (ADS)

    Higgins, Keith; Ooi, Andrew; Chong, M. S.

    2008-02-01

    A Saffman and Pullin [Phys. Fluids 8, 3072 (1996)] type vortex model for passive scalar structure functions is formulated. The intermittent turbulent fine-scale dynamics in the model is represented by numerical solutions of the advection-diffusion and Navier-Stokes equations in the form of axially strained vortex-scalar structures. The use of these structures is motivated by Pullin and Lundgren's [Phys. Fluids 13, 2553 (2001)] asymptotic strained spiral vortex model of turbulent passive scalar transport. Ensemble-averaged scalar structure functions, of even orders 2-10, are calculated from a range of vortex-scalar structures using Monte Carlo integration. For axisymmetric strained scalar fields, acceptable agreement of the second-order structure function with experimental data reported by Antonia and Van Atta [J. Fluid Mech. 84, 561 (1978)] is obtained. Structure functions are also calculated for a range of passive scalar spiral structures. These are generated by the winding of single and double scalar patches in single strained vortex patches and in merging strained vortices. Power-law scaling of the second- and higher-order structure functions is obtained from cases involving the winding of single scalar patches in an axisymmetric strained vortex patch. The second-order scaling exponents from these cases are in reasonable agreement with Kolmogorov-Oboukhov-Corrsin scaling and the experimental results of Antonia et al. [Phys. Rev. A 30, 2704 (1984)] and Gylfason and Warhaft [Phys. Fluids 16, 4012 (2004)]. However, the higher-order scaling exponents from these cases fall below theoretical predictions and experimental results. Higher-order moments are sensitive to the composition of the vortex-scalar structures, and various improvements are suggested that could enhance the performance of the model. The present approach is promising, and it is the first demonstration that a vortex model using simplified Navier-Stokes dynamics can produce some scalar structure

  20. TH-C-BRD-02: Analytical Modeling and Dose Calculation Method for Asymmetric Proton Pencil Beams

    SciTech Connect

    Gelover, E; Wang, D; Hill, P; Flynn, R; Hyer, D

    2014-06-15

    Purpose: A dynamic collimation system (DCS), which consists of two pairs of orthogonal trimmer blades driven by linear motors has been proposed to decrease the lateral penumbra in pencil beam scanning proton therapy. The DCS reduces lateral penumbra by intercepting the proton pencil beam near the lateral boundary of the target in the beam's eye view. The resultant trimmed pencil beams are asymmetric and laterally shifted, and therefore existing pencil beam dose calculation algorithms are not capable of trimmed beam dose calculations. This work develops a method to model and compute dose from trimmed pencil beams when using the DCS. Methods: MCNPX simulations were used to determine the dose distributions expected from various trimmer configurations using the DCS. Using these data, the lateral distribution for individual beamlets was modeled with a 2D asymmetric Gaussian function. The integral depth dose (IDD) of each configuration was also modeled by combining the IDD of an untrimmed pencil beam with a linear correction factor. The convolution of these two terms, along with the Highland approximation to account for lateral growth of the beam along the depth direction, allows a trimmed pencil beam dose distribution to be analytically generated. The algorithm was validated by computing dose for a single energy layer 5×5 cm{sup 2} treatment field, defined by the trimmers, using both the proposed method and MCNPX beamlets. Results: The Gaussian modeled asymmetric lateral profiles along the principal axes match the MCNPX data very well (R{sup 2}≥0.95 at the depth of the Bragg peak). For the 5×5 cm{sup 2} treatment plan created with both the modeled and MCNPX pencil beams, the passing rate of the 3D gamma test was 98% using a standard threshold of 3%/3 mm. Conclusion: An analytical method capable of accurately computing asymmetric pencil beam dose when using the DCS has been developed.

  1. Fast and Accurate Radiative Transfer Calculations Using Principal Component Analysis for (Exo-)Planetary Retrieval Models

    NASA Astrophysics Data System (ADS)

    Kopparla, P.; Natraj, V.; Shia, R. L.; Spurr, R. J. D.; Crisp, D.; Yung, Y. L.

    2015-12-01

    Radiative transfer (RT) computations form the engine of atmospheric retrieval codes. However, full treatment of RT processes is computationally expensive, prompting usage of two-stream approximations in current exoplanetary atmospheric retrieval codes [Line et al., 2013]. Natraj et al. [2005, 2010] and Spurr and Natraj [2013] demonstrated the ability of a technique using principal component analysis (PCA) to speed up RT computations. In the PCA method for RT performance enhancement, empirical orthogonal functions are developed for binned sets of inherent optical properties that possess some redundancy; costly multiple-scattering RT calculations are only done for those few optical states corresponding to the most important principal components, and correction factors are applied to approximate radiation fields. Kopparla et al. [2015, in preparation] extended the PCA method to a broadband spectral region from the ultraviolet to the shortwave infrared (0.3-3 micron), accounting for major gas absorptions in this region. Here, we apply the PCA method to a some typical (exo-)planetary retrieval problems. Comparisons between the new model, called Universal Principal Component Analysis Radiative Transfer (UPCART) model, two-stream models and line-by-line RT models are performed, for spectral radiances, spectral fluxes and broadband fluxes. Each of these are calculated at the top of the atmosphere for several scenarios with varying aerosol types, extinction and scattering optical depth profiles, and stellar and viewing geometries. We demonstrate that very accurate radiance and flux estimates can be obtained, with better than 1% accuracy in all spectral regions and better than 0.1% in most cases, as compared to a numerically exact line-by-line RT model. The accuracy is enhanced when the results are convolved to typical instrument resolutions. The operational speed and accuracy of UPCART can be further improved by optimizing binning schemes and parallelizing the codes, work

  2. Epidemiologic programs for computers and calculators. Simple algorithms for the representation of deterministic and stochastic versions of the Reed-Frost epidemic model using a programmable calculator.

    PubMed

    Franco, E L; Simons, A R

    1986-05-01

    Two programs are described for the emulation of the dynamics of Reed-Frost progressive epidemics in a handheld programmable calculator (HP-41C series). The programs provide a complete record of cases, susceptibles, and immunes at each epidemic period using either the deterministic formulation or the trough analogue of the mechanical model for the stochastic version. Both programs can compute epidemics that include a constant rate of influx or outflux of susceptibles and single or double infectivity time periods.

  3. The Venus nitric oxide night airglow - Model calculations based on the Venus Thermospheric General Circulation Model

    NASA Technical Reports Server (NTRS)

    Bougher, S. W.; Gerard, J. C.; Stewart, A. I. F.; Fesen, C. G.

    1990-01-01

    The mechanism responsible for the Venus nitric oxide (0,1) delta band nightglow observed in the Pioneer Venus Orbiter UV spectrometer (OUVS) images was investigated using the Venus Thermospheric General Circulation Model (Dickinson et al., 1984), modified to include simple odd nitrogen chemistry. Results obtained for the solar maximum conditions indicate that the recently revised dark-disk average NO intensity at 198.0 nm, based on statistically averaged OUVS measurements, can be reproduced with minor modifications in chemical rate coefficients. The results imply a nightside hemispheric downward N flux of (2.5-3) x 10 to the 9th/sq cm sec, corresponding to the dayside net production of N atoms needed for transport.

  4. A New Generation of Cool White Dwarf Atmosphere Models Using Ab Initio Calculations

    NASA Astrophysics Data System (ADS)

    Blouin, S.; Dufour, P.; Kowalski, P. M.

    2017-03-01

    Due to their high photospheric density, cool helium-rich white dwarfs (particularly DZ, DQpec and ultracool) are often poorly described by current atmosphere models. As part of our ongoing efforts to design atmosphere models suitable for all cool white dwarfs, we investigate how the ionization ratio of heavy elements and the H2-He collision-induced absorption (CIA) spectrum are altered under fluid-like densities. For the conditions encountered at the photosphere of cool helium-rich white dwarfs, our ab initio calculations show that the ionization of most metals is inhibited and that the H2-He CIA spectrum is significantly distorted for densities higher than 0.1 g/cm3.

  5. Large boson number IBM calculations and their relationship to the Bohr model

    NASA Astrophysics Data System (ADS)

    Thiamova, G.; Rowe, D. J.

    2009-08-01

    Recently, the SO(5) Clebsch-Gordan (CG) coefficients up to the seniority v max = 40 were computed in floating point arithmetic (T.A. Welsh, unpublished (2008)); and, in exact arithmetic, as square roots of rational numbers (M.A. Caprio et al., to be published in Comput. Phys. Commun.). It is shown in this paper that extending the QQQ model calculations set up in the work by D.J. Rowe and G. Thiamova (Nucl. Phys. A 760, 59 (2005)) to N = v max = 40 is sufficient to obtain the IBM results converged to its Bohr contraction limit. This will be done by comparing some important matrix elements in both models, by looking at the seniority decomposition of low-lying states and at the behavior of the energy and B( E2) transition strengths ratios with increasing seniority.

  6. FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models.

    PubMed

    Christensen, Anders S; Hamelryck, Thomas; Jensen, Jan H

    2014-01-01

    We present a powerful Python library to quickly and efficiently generate realistic peptide model structures. The library makes it possible to quickly set up quantum mechanical calculations on model peptide structures. It is possible to manually specify a specific conformation of the peptide. Additionally the library also offers sampling of backbone conformations and side chain rotamer conformations from continuous distributions. The generated peptides can then be geometry optimized by the MMFF94 molecular mechanics force field via convenient functions inside the library. Finally, it is possible to output the resulting structures directly to files in a variety of useful formats, such as XYZ or PDB formats, or directly as input files for a quantum chemistry program. FragBuilder is freely available at https://github.com/jensengroup/fragbuilder/ under the terms of the BSD open source license.

  7. Long-term changes in the mesosphere calculated by a two-dimensional model

    NASA Astrophysics Data System (ADS)

    Gruzdev, Aleksandr N.; Brasseur, Guy P.

    2005-02-01

    We have used the interactive two-dimensional model SOCRATES to investigate the thermal and the chemical response of the mesosphere to the changes in greenhouse gas concentrations observed in the past 50 years (CO2, CH4, water vapor, N2O, CFCs), and to specified changes in gravity wave drag and diffusion in the upper mesosphere. When considering the observed increase in the abundances of greenhouse gases for the past 50 years, a cooling of 3-7 K is calculated in the mesopause region together with a cooling of 4-6 K in the middle mesosphere. Changes in the meridional circulation of the mesosphere damp the pure radiative thermal effect of the greenhouse gases. The largest cooling in the winter upper mesosphere-mesopause region occurs when the observed increase in concentrations of greenhouse gases and the strengthening of the gravity wave drag and diffusion are considered simultaneously. Depending on the adopted strengthening of the gravity wave drag and diffusion, a cooling varying from typically 6-10 K to 10-20 K over the past 50 years is predicted in the extratropical upper mesosphere during wintertime. In summer, however, consistently with observations, the thermal response calculated by the model is insignificant in the vicinity of the mesopause. Although the calculated cooling of the winter mesopause is still less than suggested by some observations, these results lead to the conclusion that the increase in the abundances of greenhouse gases alone may not entirely explain the observed temperature trends in the mesosphere. Long-term changes in the dynamics of the middle atmosphere (and the troposphere), including changes in gravity wave activity may have contributed significantly to the observed long-term changes in thermal structure and chemical composition of the mesosphere.

  8. A stillbirth calculator: Development and internal validation of a clinical prediction model to quantify stillbirth risk

    PubMed Central

    Tuuli, Methodius G.; Colditz, Graham A.; Macones, George A.; Odibo, Anthony O.

    2017-01-01

    Objective To generate a clinical prediction tool for stillbirth that combines maternal risk factors to provide an evidence based approach for the identification of women who will benefit most from antenatal testing for stillbirth prevention. Design Retrospective cohort study Setting Midwestern United States quaternary referral center Population Singleton pregnancies undergoing second trimester anatomic survey from 1999–2009. Pregnancies with incomplete follow-up were excluded. Methods Candidate predictors were identified from the literature and univariate analysis. Backward stepwise logistic regression with statistical comparison of model discrimination, calibration and clinical performance was used to generate final models for the prediction of stillbirth. Internal validation was performed using bootstrapping with 1,000 repetitions. A stillbirth risk calculator and stillbirth risk score were developed for the prediction of stillbirth at or beyond 32 weeks excluding fetal anomalies and aneuploidy. Statistical and clinical cut-points were identified and the tools compared using the Integrated Discrimination Improvement. Main outcome measures Antepartum stillbirth Results 64,173 women met inclusion criteria. The final stillbirth risk calculator and score included maternal age, black race, nulliparity, body mass index, smoking, chronic hypertension and pre-gestational diabetes. The stillbirth calculator and simple risk score demonstrated modest discrimination but clinically significant performance with no difference in overall performance between the tools [(AUC 0.66 95% CI 0.60–0.72) and (AUC 0.64 95% CI 0.58–0.70), (p = 0.25)]. Conclusion A stillbirth risk score was developed incorporating maternal risk factors easily ascertained during prenatal care to determine an individual woman’s risk for stillbirth and provide an evidenced based approach to the initiation of antenatal testing for the prediction and prevention of stillbirth. PMID:28267756

  9. Application of a reaction model to improve calculation of the sugar recovery standard for sugar analysis.

    PubMed

    Shen, Jiacheng; Wyman, Charles E

    2012-01-01

    A kinetic model was applied to improve determination of the sugar recovery standard (SRS) for biomass analysis. Three sets of xylose (0.10-1.00 g/L and 0.999-19.995 g/L) and glucose (0.206-1.602 g/L) concentrations were measured by HPLC following reaction of each for 1 h. Then, parameters in a kinetic model were fit to the resulting sugar concentration data, and the model was applied to predict the initial sugar concentrations and the best SRS value (SRS(p)). The initial sugar concentrations predicted by the model agreed with the actual initial sugar concentrations. Although the SRS(e) calculated directly from experimental data oscillated considerably with sugar concentration, the SRS(p) trend was smooth. Statistical analysis of errors and application of the F-test confirmed that application of the model reduced experimental errors in SRS(e). Reference SRS(e) values are reported for the three series of concentrations.

  10. Application of a statistical bootstrapping technique to calculate growth rate variance for modelling psychrotrophic pathogen growth.

    PubMed

    Schaffner, D W

    1994-12-01

    The inherent variability or 'variance' of growth rate measurements is critical to the development of accurate predictive models in food microbiology. A large number of measurements are typically needed to estimate variance. To make these measurements requires a significant investment of time and effort. If a single growth rate determination is based on a series of independent measurements, then a statistical bootstrapping technique can be used to simulate multiple growth rate measurements from a single set of experiments. Growth rate variances were calculated for three large datasets (Listeria monocytogenes, Listeria innocua, and Yersinia enterocolitica) from our laboratory using this technique. This analysis revealed that the population of growth rate measurements at any given condition are not normally distributed, but instead follow a distribution that is between normal and Poisson. The relationship between growth rate and temperature was modeled by response surface models using generalized linear regression. It was found that the assumed distribution (i.e. normal, Poisson, gamma or inverse normal) of the growth rates influenced the prediction of each of the models used. This research demonstrates the importance of variance and assumptions about the statistical distribution of growth rates on the results of predictive microbiological models.

  11. Non-LTE model calculations for SN 1987A and the extragalactic distance scale

    NASA Technical Reports Server (NTRS)

    Schmutz, W.; Abbott, D. C.; Russell, R. S.; Hamann, W.-R.; Wessolowski, U.

    1990-01-01

    This paper presents model atmospheres for the first week of SN 1987A, based on the luminosity and density/velocity structure from hydrodynamic models of Woosley (1988). The models account for line blanketing, expansion, sphericity, and departures from LTE in hydrogen and helium and differ from previously published efforts because they represent ab initio calculations, i.e., they contain essentially no free parameters. The formation of the UV spectrum is dominated by the effects of line blanketing. In the absorption troughs, the Balmer line profiles were fit well by these models, but the observed emissions are significantly stronger than predicted, perhaps due to clumping. The generally good agreement between the present synthetic spectra and observations provides independent support for the overall accuracy of the hydrodynamic models of Woosley. The question of the accuracy of the Baade-Wesselink method is addressed in a detailed discussion of its approximations. While the application of the standard method produces a distance within an uncertainty of 20 percent in the case of SN 1987A, systematic errors up to a factor of 2 are possible, particularly if the precursor was a red supergiant.

  12. A computer code for calculations in the algebraic collective model of the atomic nucleus

    NASA Astrophysics Data System (ADS)

    Welsh, T. A.; Rowe, D. J.

    2016-03-01

    A Maple code is presented for algebraic collective model (ACM) calculations. The ACM is an algebraic version of the Bohr model of the atomic nucleus, in which all required matrix elements are derived by exploiting the model's SU(1 , 1) × SO(5) dynamical group. This paper reviews the mathematical formulation of the ACM, and serves as a manual for the code. The code enables a wide range of model Hamiltonians to be analysed. This range includes essentially all Hamiltonians that are rational functions of the model's quadrupole moments qˆM and are at most quadratic in the corresponding conjugate momenta πˆN (- 2 ≤ M , N ≤ 2). The code makes use of expressions for matrix elements derived elsewhere and newly derived matrix elements of the operators [ π ˆ ⊗ q ˆ ⊗ π ˆ ] 0 and [ π ˆ ⊗ π ˆ ] LM. The code is made efficient by use of an analytical expression for the needed SO(5)-reduced matrix elements, and use of SO(5) ⊃ SO(3) Clebsch-Gordan coefficients obtained from precomputed data files provided with the code.

  13. Model calculating annual mean atmospheric dispersion factor for coastal site of nuclear power plant.

    PubMed

    Hu, E B; Chen, J Y; Yao, R T; Zhang, M S; Gao, Z R; Wang, S X; Jia, P R; Liao, Q L

    2001-07-01

    This paper describes an atmospheric dispersion field experiment performed on the coastal site of nuclear power plant in the east part of China during 1995 to 1996. The three-dimension joint frequency are obtained by hourly observation of wind and temperature on a 100 m high tower; the frequency of the "event day of land and sea breezes" are given by observation of surface wind and land and sea breezes; the diffusion parameters are got from measurements of turbulent and wind tunnel simulation test. A new model calculating the annual mean atmospheric dispersion factor for coastal site of nuclear power plant is developed and established. This model considers not only the effect from mixing release and mixed layer but also the effect from the internal boundary layer and variation of diffusion parameters due to the distance from coast. The comparison between results obtained by the new model and current model shows that the ratio of annual mean atmospheric dispersion factor gained by the new model and the current one is about 2.0.

  14. Thermal Model of Europa: Calculating the Effects of Surface Topography and Radiation from Jupiter

    NASA Astrophysics Data System (ADS)

    Bennett, Kristen; Paige, D.; Hayne, P.; Greenhagen, B.; Schenk, P.

    2010-10-01

    Europa's surface temperature distribution results from global effects such as insolation and heat flow, as well as local topography and possibly active tectonic processes. Accurate surface temperature models will greatly benefit future orbital investigations searching for global-scale variations in heat flow and local thermal anomalies resulting from frictional heating on faults or diapirs (Paige et al, this meeting). At the global scale, a major challenge for such models is the strong influence of Jupiter on the solar and infrared flux at Europa's surface. At the local scale, the thermal signature is dominated by complex topography. In order to address these two problems, we developed a model that modifies the Digital Moon program created by D. Paige and S. Meeker (2009) that uses a 3-dimensional geodesic gridding scheme to calculate the surface temperature of a body due to multiple scatterings of radiation and heat flow. We can account for Jupiter's influence on Europa by including data on Jupiter's solar and infrared radiation (which accounts for roughly 30% of the radiation at Europa), and on Europa's orbit (as Europa spends several minutes out of its 3.55 day orbital period in Jupiter's shadow). To address the issue of Europa's complicated terrain, we have simulated the effects of local heat flow as well as added topography and surface roughness to the thermal model by using digital elevation models produced by Schenk and Pappalardo (2004) that show altitude changes of several hundred meters and tectonic features that may produce regions of anomalously high heat flow.

  15. Model-based dose calculations for COMS eye plaque brachytherapy using an anatomically realistic eye phantom

    SciTech Connect

    Lesperance, Marielle; Inglis-Whalen, M.; Thomson, R. M.

    2014-02-15

    Purpose : To investigate the effects of the composition and geometry of ocular media and tissues surrounding the eye on dose distributions for COMS eye plaque brachytherapy with{sup 125}I, {sup 103}Pd, or {sup 131}Cs seeds, and to investigate doses to ocular structures. Methods : An anatomically and compositionally realistic voxelized eye model with a medial tumor is developed based on a literature review. Mass energy absorption and attenuation coefficients for ocular media are calculated. Radiation transport and dose deposition are simulated using the EGSnrc Monte Carlo user-code BrachyDose for a fully loaded COMS eye plaque within a water phantom and our full eye model for the three radionuclides. A TG-43 simulation with the same seed configuration in a water phantom neglecting the plaque and interseed effects is also performed. The impact on dose distributions of varying tumor position, as well as tumor and surrounding tissue media is investigated. Each simulation and radionuclide is compared using isodose contours, dose volume histograms for the lens and tumor, maximum, minimum, and average doses to structures of interest, and doses to voxels of interest within the eye. Results : Mass energy absorption and attenuation coefficients of the ocular media differ from those of water by as much as 12% within the 20–30 keV photon energy range. For all radionuclides studied, average doses to the tumor and lens regions in the full eye model differ from those for the plaque in water by 8%–10% and 13%–14%, respectively; the average doses to the tumor and lens regions differ between the full eye model and the TG-43 simulation by 2%–17% and 29%–34%, respectively. Replacing the surrounding tissues in the eye model with water increases the maximum and average doses to the lens by 2% and 3%, respectively. Substituting the tumor medium in the eye model for water, soft tissue, or an alternate melanoma composition affects tumor dose compared to the default eye model

  16. Critical comparison of electrode models in density functional theory based quantum transport calculations.

    PubMed

    Jacob, D; Palacios, J J

    2011-01-28

    We study the performance of two different electrode models in quantum transport calculations based on density functional theory: parametrized Bethe lattices and quasi-one-dimensional wires or nanowires. A detailed account of implementation details in both the cases is given. From the systematic study of nanocontacts made of representative metallic elements, we can conclude that the parametrized electrode models represent an excellent compromise between computational cost and electronic structure definition as long as the aim is to compare with experiments where the precise atomic structure of the electrodes is not relevant or defined with precision. The results obtained using parametrized Bethe lattices are essentially similar to the ones obtained with quasi-one-dimensional electrodes for large enough cross-sections of these, adding a natural smearing to the transmission curves that mimics the true nature of polycrystalline electrodes. The latter are more demanding from the computational point of view, but present the advantage of expanding the range of applicability of transport calculations to situations where the electrodes have a well-defined atomic structure, as is the case for carbon nanotubes, graphene nanoribbons, or semiconducting nanowires. All the analysis is done with the help of codes developed by the authors which can be found in the quantum transport toolbox ALACANT and are publicly available.

  17. Optical reflection, transmission and absorption properties of single-layer black phosphorus from a model calculation

    NASA Astrophysics Data System (ADS)

    Margulis, Vl A.; Muryumin, E. E.; Gaiduk, E. A.

    2016-05-01

    An effective anisotropic tight-binding model is developed to analytically describe the low-energy electronic structure and optical response of phosphorene (a black phosphorus (BP) monolayer). Within the framework of the model, we derive explicit closed-form expressions, in terms of elementary functions, for the elements of the optical conductivity tensor of phosphorene. These relations provide a convenient parametrization of the highly anisotropic optical response of phosphorene, which allows the reflectance, transmittance, and absorbance of this material to be easily calculated as a function of the frequency of the incident radiation at arbitrary angles of incidence. The results of such a calculation are presented for both a free-standing phosphorene layer and the phosphorene layer deposited on a {{SiO}}2 substrate, and for the two principal cases of polarization of the incident radiation either parallel to or normal to the plane of incidence. Our findings (e.g., a ‘quasi-Brewster’ effect in the reflectance of the phosphorene/{{SiO}}2 overlayer system) pave the way for developing a new, purely optical method of distinguishing BP monolayers.

  18. Elastic guided waves in plates with surface roughness. I. Model calculation

    SciTech Connect

    Lobkis, O.I.; Chimenti, D.E.

    1997-07-01

    This paper reports analytical research on the effect of surface roughness on ultrasonic guided waves in plates. The theoretical model is constructed by exploiting the phase-screen assumption that takes advantage of the Kirchhoff approximation, where, on a local scale, the roughness degrades only the signal phase. The effect of the rough surface on the guided wave is treated by decomposing the wave modes into their constituent partial waves and considering individually the effect of the roughness on the partial wave components as they reflect from the plate surfaces. An approximate dispersion relation is derived for the traction-free rough waveguide that is formally identical to the conventional Lamb wave equation, but incorporating the roughness parameter as a complex plate thickness. A more accurate version of the model calculation is generalized to fluid-immersed plates having only a single rough surface either on the same, or opposite, side of the plate as the incident ultrasonic field. Calculations of the reflection coefficients in the presence of roughness serve to illustrate the phenomena for the case of the guided waves. {copyright} {ital 1997 Acoustical Society of America.}

  19. Review of Advances in Cobb Angle Calculation and Image-Based Modelling Techniques for Spinal Deformities

    NASA Astrophysics Data System (ADS)

    Giannoglou, V.; Stylianidis, E.

    2016-06-01

    Scoliosis is a 3D deformity of the human spinal column that is caused from the bending of the latter, causing pain, aesthetic and respiratory problems. This internal deformation is reflected in the outer shape of the human back. The golden standard for diagnosis and monitoring of scoliosis is the Cobb angle, which refers to the internal curvature of the trunk. This work is the first part of a post-doctoral research, presenting the most important researches that have been done in the field of scoliosis, concerning its digital visualisation, in order to provide a more precise and robust identification and monitoring of scoliosis. The research is divided in four fields, namely, the X-ray processing, the automatic Cobb angle(s) calculation, the 3D modelling of the spine that provides a more accurate representation of the trunk and the reduction of X-ray radiation exposure throughout the monitoring of scoliosis. Despite the fact that many researchers have been working on the field for the last decade at least, there is no reliable and universal tool to automatically calculate the Cobb angle(s) and successfully perform proper 3D modelling of the spinal column that would assist a more accurate detection and monitoring of scoliosis.

  20. A comparison of ozone trends from SME and SBUV satellite observations and model calculations

    NASA Technical Reports Server (NTRS)

    Rusch, D. W.; Clancy, R. T.

    1988-01-01

    Data on monthly ozone abundance trends near the stratopause, observed by the Ultraviolet Spectrometer (UVS) on the SME and by the Solar Backscatter Ultraviolet Instrument (SBUV) on NIMBUS-7 are presented for June, September, and January of the years 1982-1986. Globally averaged trends determined from the SME data (-0.5 + or - 1.3 percent/yr) were found to fall within model calculations by Rusch and Clancy (1988); the SBUV trends, on the other hand, were found to exceed maximum predicted ozone decreases by a factor of 3 or more. Detailed comparison of the two data sets indicated that an absolute offset of 3 percent/yr accounts for much of the difference between the two trends; the offset is considered to be due to incomplete characterization of the SBUV calibration drift. Both the UVS and SBUV data exhibited similar seasonal and latitudinal variations in ozone trends, which were reproduced by photochemical model calculations that included latitude-dependent NMC temperature trends over the 1982-1986 period.

  1. Calculation model scaling of CO laser with RF discharge in supersonic stream

    NASA Astrophysics Data System (ADS)

    Baranov, I. Y.; Koksharov, A. V.; Koptev, A. V.; Romodin, K. M.

    2007-04-01

    High-power gas lasers can be the effective tool in such applications as dismantlement of obsolete nuclear reactors, laser-hardening of the surfaces of railway rails etc. The carried out experiments have shown, that radio frequency (BY) discharge is an effective source of reception of the vibrational-excited CO molecules. Laser generation was shown on small-scale experimental installation. For transition to creation high-power CO laser the clear understanding of the processes occurring in a supersonic stream a CO mixture, excited by RF discharge is necessary, the calculation model of scaling CO laser with RF discharge in supersonic stream therefore was developed. The developed model, proceeding from the given power projected CO laser, allows to calculate parameters of laser installation and to optimize them with the purpose of reception of high value of efficiency and low cost of installation as a whole. The industrial CO laser for dismantlement of obsolete nuclear reactors and hardening the surfaces of railway rails is proposed. The estimated cost of laser is some hundred thousand dollars USA and small sizes of laser head give possibility to install it on manipulator without fiber-optic delivery.

  2. Comparative Assessment of Models and Methods To Calculate Grid Electricity Emissions.

    PubMed

    Ryan, Nicole A; Johnson, Jeremiah X; Keoleian, Gregory A

    2016-09-06

    Due to the complexity of power systems, tracking emissions attributable to a specific electrical load is a daunting challenge but essential for many environmental impact studies. Currently, no consensus exists on appropriate methods for quantifying emissions from particular electricity loads. This paper reviews a wide range of the existing methods, detailing their functionality, tractability, and appropriate use. We identified and reviewed 32 methods and models and classified them into two distinct categories: empirical data and relationship models and power system optimization models. To illustrate the impact of method selection, we calculate the CO2 combustion emissions factors associated with electric-vehicle charging using 10 methods at nine charging station locations around the United States. Across the methods, we found an up to 68% difference from the mean CO2 emissions factor for a given charging site among both marginal and average emissions factors and up to a 63% difference from the average across average emissions factors. Our results underscore the importance of method selection and the need for a consensus on approaches appropriate for particular loads and research questions being addressed in order to achieve results that are more consistent across studies and allow for soundly supported policy decisions. The paper addresses this issue by offering a set of recommendations for determining an appropriate model type on the basis of the load characteristics and study objectives.

  3. Role of dielectric function in model GW calculations of structural and optical properties in semiconductors

    NASA Astrophysics Data System (ADS)

    Asahi, Ryoji; Freeman, A. J.

    1998-03-01

    Recently proposed nonlocal exchange potential methods such as screened exchange (sX-LDA)(Bylander, Kleinman, Phys. Rev. B 41, 7868 (1990)) and model GW(Gygi, Baldereschi, Phys. Rev. Lett. 62, 2160 (1989)) demonstrated successful extensions of LDA energy bands to treat excited states in semiconductors and insulators. While using different static dielectric functions - a Thomas-Fermi or a Hubbard screening function for the sX-LDA and a step function or an RPA for the model GW - those methods gave surprising agreement of the energy gaps with each other and with experiments. We have investigated semiconductor systems such as Si, Ge, and InSb using the full-potential linearized augmented plane wave (FLAPW) method(Wimmer, Krakauer, Weinert, Freeman, Phys. Rev. B 24, 864 (1981)) within the model GW method including the above dielectric functions. Our focus is on understanding the different results obtained for the structural properties (lattice constants and bulk moduli) and optical properties (band gaps and optical spectra). We find that the results can be interpreted by different long-range screening behavior corresponding to the different static dielectric functions employed in the model GW calculations.

  4. A Mathematical Model for Calculating the Effect of Toroidal Geometry on the Measured Magnetic Field

    NASA Astrophysics Data System (ADS)

    Skoczelas, Brenda; Wijesinghe, Ranjith

    2008-03-01

    A mathematical model to calculate the measured magnetic field from a stimulated nerve has been presented in the past. Traditionally, electrodes have been used to measure these propagating action signals in nerves, but a less invasive technique is to use toroids. However, up until now, when using a toroidal transformer to record the nerve action currents, the thickness of the toroid has yet to be considered in the model and how it may affect the propagating compound action potential. In this presentation, we will discuss the development of a new model, to which the thickness of the toroid is taken into account. These dimensions are important because the toroid represents an inhomogeneity in the extracellular medium that redistributes the extracellular current. In the past, toroids with very small diameters have been used and as they may not disrupt the action current. With a better understanding of the toroidal effects, we may be able to increase the accuracy and dependency of such measured magnetic signals. The final goal will be to compare our theoretical model to experimentally gathered data.

  5. Calculation of Heavy Ion Inactivation and Mutation Rates in Radial Dose Model of Track Structure

    NASA Technical Reports Server (NTRS)

    Cucinotta, Francis A.; Wilson, John W.; Shavers, Mark R.; Katz, Robert

    1997-01-01

    In the track structure model, the inactivation cross section is found by summing an inactivation probability over all impact parameters from the ion to the sensitive sites within the cell nucleus. The inactivation probability is evaluated by using the dose response of the system to gamma rays and the radial dose of the ions and may be equal to unity at small impact parameters. We apply the track structure model to recent data with heavy ion beams irradiating biological samples of E. Coli, B. Subtilis spores, and Chinese hamster (V79) cells. Heavy ions have observed cross sections for inactivation that approach and sometimes exceed the geometric size of the cell nucleus. We show how the effects of inactivation may be taken into account in the evaluation of the mutation cross sections in the track structure model through correlation of sites for gene mutation and cell inactivation. The model is fit to available data for HPRT (hypoxanthine guanine phosphoribosyl transferase) mutations in V79 cells, and good agreement is found. Calculations show the high probability for mutation by relativistic ions due to the radial extension of ions track from delta rays. The effects of inactivation on mutation rates make it very unlikely that a single parameter such as LET (linear energy transfer) can be used to specify radiation quality for heavy ion bombardment.

  6. Fission yield calculation using toy model based on Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Jubaidah, Kurniadi, Rizal

    2015-09-01

    Toy model is a new approximation in predicting fission yield distribution. Toy model assumes nucleus as an elastic toy consist of marbles. The number of marbles represents the number of nucleons, A. This toy nucleus is able to imitate the real nucleus properties. In this research, the toy nucleons are only influenced by central force. A heavy toy nucleus induced by a toy nucleon will be split into two fragments. These two fission fragments are called fission yield. In this research, energy entanglement is neglected. Fission process in toy model is illustrated by two Gaussian curves intersecting each other. There are five Gaussian parameters used in this research. They are scission point of the two curves (Rc), mean of left curve (μL) and mean of right curve (μR), deviation of left curve (σL) and deviation of right curve (σR). The fission yields distribution is analyses based on Monte Carlo simulation. The result shows that variation in σ or µ can significanly move the average frequency of asymmetry fission yields. This also varies the range of fission yields distribution probability. In addition, variation in iteration coefficient only change the frequency of fission yields. Monte Carlo simulation for fission yield calculation using toy model successfully indicates the same tendency with experiment results, where average of light fission yield is in the range of 90

  7. Integration of concentration-response relations in risk assessment models to calculate hazardous concentrations for ecosystems

    SciTech Connect

    Traas, T.P.; Janse, J.H.; Brock, T.C.M.; Aldenberg, T.

    1994-12-31

    Ecotoxicological risk assessments usually focus on fate of chemicals or extrapolation of single-species bioassays. Several attempts have been made to integrate these two approaches, in order to predict ecosystem effects. Ecological effects of chemicals are notoriously difficult to predict. Extensive mesocosm experiments were available to study ecological effects of chlorpyrifos. The authors integrated fate and concentration-response curves of chlorpyrifos and cadmium in an ecotoxicological model. The model consists of compartments for water, sediment, and species lumped in functional groups. Cycling of organic matter is the backbone of the model, acting as carrier for the toxicant. Concentration-response curves of chlorpyrifos were determined on species present in the mesocosms. Transient effects of a single dose of chlorpyrifos on the mesocosms can be simulated with the model. Based on measured direct and indirect effects in the mesocosms, the authors propose a method to calculate the maximum allowable concentration for ecological damage. The authors call this the Hazardous Concentration for the Ecosystem (HCE). The HCE is reached if biomass anywhere in the food web falls outside the normal biomass bandwidth.

  8. Fission yield calculation using toy model based on Monte Carlo simulation

    SciTech Connect

    Jubaidah; Kurniadi, Rizal

    2015-09-30

    Toy model is a new approximation in predicting fission yield distribution. Toy model assumes nucleus as an elastic toy consist of marbles. The number of marbles represents the number of nucleons, A. This toy nucleus is able to imitate the real nucleus properties. In this research, the toy nucleons are only influenced by central force. A heavy toy nucleus induced by a toy nucleon will be split into two fragments. These two fission fragments are called fission yield. In this research, energy entanglement is neglected. Fission process in toy model is illustrated by two Gaussian curves intersecting each other. There are five Gaussian parameters used in this research. They are scission point of the two curves (R{sub c}), mean of left curve (μ{sub L}) and mean of right curve (μ{sub R}), deviation of left curve (σ{sub L}) and deviation of right curve (σ{sub R}). The fission yields distribution is analyses based on Monte Carlo simulation. The result shows that variation in σ or µ can significanly move the average frequency of asymmetry fission yields. This also varies the range of fission yields distribution probability. In addition, variation in iteration coefficient only change the frequency of fission yields. Monte Carlo simulation for fission yield calculation using toy model successfully indicates the same tendency with experiment results, where average of light fission yield is in the range of 90

  9. CALCULATION OF NONLINEAR CONFIDENCE AND PREDICTION INTERVALS FOR GROUND-WATER FLOW MODELS.

    USGS Publications Warehouse

    Cooley, Richard L.; Vecchia, Aldo V.

    1987-01-01

    A method is derived to efficiently compute nonlinear confidence and prediction intervals on any function of parameters derived as output from a mathematical model of a physical system. The method is applied to the problem of obtaining confidence and prediction intervals for manually-calibrated ground-water flow models. To obtain confidence and prediction intervals resulting from uncertainties in parameters, the calibrated model and information on extreme ranges and ordering of the model parameters within one or more independent groups are required. If random errors in the dependent variable are present in addition to uncertainties in parameters, then calculation of prediction intervals also requires information on the extreme range of error expected. A simple Monte Carlo method is used to compute the quantiles necessary to establish probability levels for the confidence and prediction intervals. Application of the method to a hypothetical example showed that inclusion of random errors in the dependent variable in addition to uncertainties in parameters can considerably widen the prediction intervals.

  10. Monte Carlo Modeling of Computed Tomography Ceiling Scatter for Shielding Calculations.

    PubMed

    Edwards, Stephen; Schick, Daniel

    2016-04-01

    Radiation protection for clinical staff and members of the public is of paramount importance, particularly in occupied areas adjacent to computed tomography scanner suites. Increased patient workloads and the adoption of multi-slice scanning systems may make unshielded secondary scatter from ceiling surfaces a significant contributor to dose. The present paper expands upon an existing analytical model for calculating ceiling scatter accounting for variable room geometries and provides calibration data for a range of clinical beam qualities. The practical effect of gantry, false ceiling, and wall attenuation in limiting ceiling scatter is also explored and incorporated into the model. Monte Carlo simulations were used to calibrate the model for scatter from both concrete and lead surfaces. Gantry attenuation experimental data showed an effective blocking of scatter directed toward the ceiling at angles up to 20-30° from the vertical for the scanners examined. The contribution of ceiling scatter from computed tomography operation to the effective dose of individuals in areas surrounding the scanner suite could be significant and therefore should be considered in shielding design according to the proposed analytical model.

  11. Semi-analytical model for output factor calculations in proton beam therapy with consideration for the collimator aperture edge.

    PubMed

    Kase, Yuki; Yamashita, Haruo; Sakama, Makoto; Mizota, Manabu; Maeda, Yoshikazu; Tameshige, Yuji; Murayama, Shigeyuki

    2015-08-07

    In the development of an external radiotherapy treatment planning system, the output factor (OPF) is an important value for the monitor unit calculations. We developed a proton OPF calculation model with consideration for the collimator aperture edge to account for the dependence of the OPF on the collimator aperture and distance in proton beam therapy. Five parameters in the model were obtained by fitting with OPFs measured by a pinpoint chamber with the circular radiation fields of various field radii and collimator distances. The OPF model calculation using the fitted model parameters could explain the measurement results to within 1.6% error in typical proton treatment beams with 6- and 12 cm SOBP widths through a range shifter and a circular aperture more than 10.6 mm in radius. The calibration depth dependences of the model parameters were approximated by linear or quadratic functions. The semi-analytical OPF model calculation was tested with various MLC aperture shapes that included circles of various sizes as well as a rectangle, parallelogram, and L-shape for an intermediate proton treatment beam condition. The pre-calculated OPFs agreed well with the measured values, to within 2.7% error up to 620 mm in the collimator distance, though the maximum difference was 5.1% in the case of the largest collimator distance of 740 mm. The OPF calculation model would allow more accurate monitor unit calculations for therapeutic proton beams within the expected range of collimator conditions in clinical use.

  12. Voxel modeling of rabbits for use in radiological dose rate calculations.

    PubMed

    Caffrey, E A; Johansen, M P; Higley, K A

    2016-01-01

    Radiation dose to biota is generally calculated using Monte Carlo simulations of whole body ellipsoids with homogeneously distributed radioactivity throughout. More complex anatomical phantoms, termed voxel phantoms, have been developed to test the validity of these simplistic geometric models. In most voxel models created to date, human tissue composition and density values have been used in lieu of biologically accurate values for non-human biota. This has raised questions regarding variable tissue composition and density effects on the fraction of radioactive emission energy absorbed within tissues (e.g. the absorbed fraction - AF), along with implications for age-dependent dose rates as organisms mature. The results of this study on rabbits indicates that the variation in composition between two mammalian tissue types (e.g. human vs rabbit bones) made little difference in self-AF (SAF) values (within 5% over most energy ranges). However, variable tissue density (e.g. bone vs liver) can significantly impact SAF values. An examination of differences across life-stages revealed increasing SAF with testis and ovary size of over an order of magnitude for photons and several factors for electrons, indicating the potential for increasing dose rates to these sensitive organs as animals mature. AFs for electron energies of 0.1, 0.2, 0.4, 0.5, 0.7, 1.0, 1.5, 2.0, and 4.0 MeV and photon energies of 0.01, 0.015, 0.02, 0.03, 0.05, 0.1, 0.2, 0.5, 1.0, 1.5, 2.0, and 4.0 MeV are provided for eleven rabbit tissues. The data presented in this study can be used to calculate accurate organ dose rates for rabbits and other small rodents; to aide in extending dose results among different mammal species; and to validate the use of ellipsoidal models for regulatory purposes.

  13. Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

    NASA Astrophysics Data System (ADS)

    Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-12-01

    Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

  14. Organic complexation of rare earth elements in natural waters: Evaluating model calculations from ultrafiltration data

    NASA Astrophysics Data System (ADS)

    Pourret, Olivier; Davranche, Mélanie; Gruau, Gérard; Dia, Aline

    2007-06-01

    The Stockholm Humic Model (SHM) and Humic Ion-Binding Models V and VI were compared for their ability to predict the role of dissolved organic matter (DOM) in the speciation of rare earth elements (REE) in natural waters. Unlike Models V and VI, SHM is part of a speciation code that also allows us to consider dissolution/precipitation, sorption/desorption and oxidation/reduction reactions. In this context, it is particularly interesting to test the performance of SHM. The REE specific equilibrium constants required by the speciation models were estimated using linear free-energy relationships (LFER) between the first hydrolysis constants and the stability constants for REE complexation with lactic and acetic acid. Three datasets were used for the purpose of comparison: (i) World Average River Water (Dissolved Organic Carbon (DOC) = 5 mg L -1), previously investigated using Model V, was reinvestigated using SHM and Model VI; (ii) two natural organic-rich waters (DOC = 18-24 mg L -1), whose REE speciation has already been determined with both Model V and ultrafiltration studies, were also reinvestigated using SHM and Model VI; finally, (iii) new ultrafiltration experiments were carried out on samples of circumneutral-pH (pH 6.2-7.1), organic-rich (DOC = 7-20 mg L -1) groundwaters from the Kervidy-Naizin and Petit-Hermitage catchments, western France. The results were then compared with speciation predictions provided by Model VI and SHM, successively. When applied to World Average River Water, both Model VI and SHM yield comparable results, confirming the earlier finding that a large fraction of the dissolved REE in rivers occurs as organic complexes This implies that the two models are equally valid for calculating REE speciation in low-DOC waters at circumneutral-pH. The two models also successfully reproduced ultrafiltration results obtained for DOC-rich acidic groundwaters and river waters. By contrast, the two models yielded different results when compared to

  15. Change of Electroweak Nuclear Reaction Rates by CP- and Isospin Symmetry Breaking - A Model Calculation

    NASA Astrophysics Data System (ADS)

    Stumpf, Harald

    2006-09-01

    Based on the assumption that electroweak bosons, leptons and quarks possess a substructure of elementary fermionic constituents, in previous papers the effect of CP-symmetry breaking on the effective dynamics of these particles was calculated. Motivated by the phenomenological procedure in this paper, isospin symmetry breaking will be added and the physical consequences of these calculations will be discussed. The dynamical law of the fermionic constituents is given by a relativistically invariant nonlinear spinor field equation with local interaction, canonical quantization, selfregularization and probability interpretation. The corresponding effective dynamics is derived by algebraic weak mapping theorems. In contrast to the commonly applied modifications of the quark mass matrices, CP-symmetry breaking is introduced into this algebraic formalism by an inequivalent vacuum with respect to the CP-invariant case, represented by a modified spinor field propagator. This leads to an extension of the standard model as effective theory which contains besides the "electric" electroweak bosons additional "magnetic" electroweak bosons and corresponding interactions. If furthermore the isospin invariance of the propagator is broken too, it will be demonstrated in detail that in combination with CP-symmetry breaking this induces a considerable modification of electroweak nuclear reaction rates.

  16. Improvements and modeling calculations for a laboratory photoionized plasma experiment at Z relevant to astrophysics

    NASA Astrophysics Data System (ADS)

    Lockard, T. E.; Mayes, D. C.; Durmaz, T.; Mancini, R. C.; Loisel, G.; Bailey, J. E.; Rochau, G. A.; Liedahl, D. A.; Heeter, R. F.

    2013-10-01

    Creating a photoionized plasma in a controlled laboratory environment is difficult due to the intense x-ray flux needed to drive the plasma. This is overcome by the intense flux of x-ray photons produced by the pulsed power Z-machine at Sandia National Laboratories. We discuss improvements to a gascell experiment at Z including new ultrathin windows and window plates, and lower filling pressures that permit producing photoionized plasmas of larger ionization parameters. To understand the radiation environment, constrained view-factor calculations have been performed to model the x-ray flux at the gascell. Radiation-hydrodynamic simulations were also done to provide information on the overall evolution of the plasma and, in particular, the radiation heating of the plasma including non-equilibrium effects. We will also discuss a series of collisional-radiative atomic kinetics calculations that were done using a collection of laboratory and astrophysics codes. These results are useful to understand the relative importance of photon- and particle-driven atomic processes in the plasma. This work is sponsored in part by the National Nuclear Security Administration under the High Energy Density Laboratory Plasmas grant program through DOE Grant DE-FG52-09NA29551, and the Z Facility Fundamental Science Program of SNL.

  17. Test of 600 and 750 MeV NN matrix on elastic scattering Glauber model calculations

    NASA Astrophysics Data System (ADS)

    Brissaud, I.

    1980-09-01

    The 600 and 750 MeV proton nucleus elastic scattering cross section and polarization calculations have been performed in the framework of the Glauber model to test the pp and pn scattering amplitudes deduced from a phase shift analysis by Bystricky, Lechanoine and Lehar. It is well known that up to now we do not possess a non-phenomenological NN scattering matrix at intermediate energies. However proton-nucleus scattering analyses are used to extract information about short range correlations1), Δ resonance2) or pion condensation presences)... etc. Most scattering calculations made at these energies have been done with phenomenological NN amplitudes having a gaussian q-dependence 10050_2005_Article_BF01438168_TeX2GIFE1.gif A(q) = {kσ }/{4π }(α + i) e^{ - β ^2 q^2 /2} and 10050_2005_Article_BF01438168_TeX2GIFE2.gif C(q) = {kσ }/{4π }iq(α + i) D_e - β ^2 q^2 /2 K and σ being respectively the projectile momentum and the total pN total cross section. The parameters α, β and D are badly known and are adjusted by fitting some specific reactions as p+4He elastic scattering4). Even when these amplitudes provide good fits to the data, our understanding of the dynamics of the scattering remains obscure.

  18. Model calculated global, regional and megacity premature mortality due to air pollution

    NASA Astrophysics Data System (ADS)

    Lelieveld, J.; Barlas, C.; Giannadaki, D.; Pozzer, A.

    2013-03-01

    Air pollution by fine particulate matter (PM2.5) and ozone (O3) has increased strongly with industrialization and urbanization. We estimated the premature mortality rates and the years of human life lost (YLL) caused by anthropogenic PM2.5 and O3 in 2005 for epidemiological regions defined by the World Health Organization. We carried out high-resolution global model calculations to resolve urban and industrial regions in greater detail compared to previous work. We applied a health impact function to estimate premature mortality for people of 30 yr and older, using parameters derived from epidemiological cohort studies. Our results suggest that especially in large countries with extensive suburban and rural populations, air pollution-induced mortality rates have previously been underestimated. We calculate a global respiratory mortality of about 773 thousand yr-1 (YLL ≈ 5.2 million yr-1), 186 thousand yr-1 by lung cancer (YLL ≈ 1.7 million yr-1) and 2.0 million yr-1 by cardiovascular disease (YLL ≈ 14.3 million yr-1). The global mean per capita mortality caused by air pollution is about 0.1 % yr-1. The highest premature mortality rates are found in the Southeast Asia and Western Pacific regions (about 25% and 46% of the global rate, respectively) where more than a dozen of the most highly polluted megacities are located.

  19. Calculation and Error Analysis of a Digital Elevation Model of Hofsjokull, Iceland from SAR Interferometry

    NASA Technical Reports Server (NTRS)

    Barton, Jonathan S.; Hall, Dorothy K.; Sigurosson, Oddur; Williams, Richard S., Jr.; Smith, Laurence C.; Garvin, James B.

    1999-01-01

    Two ascending European Space Agency (ESA) Earth Resources Satellites (ERS)-1/-2 tandem-mode, synthetic aperture radar (SAR) pairs are used to calculate the surface elevation of Hofsjokull, an ice cap in central Iceland. The motion component of the interferometric phase is calculated using the 30 arc-second resolution USGS GTOPO30 global digital elevation product and one of the ERS tandem pairs. The topography is then derived by subtracting the motion component from the other tandem pair. In order to assess the accuracy of the resultant digital elevation model (DEM), a geodetic airborne laser-altimetry swath is compared with the elevations derived from the interferometry. The DEM is also compared with elevations derived from a digitized topographic map of the ice cap from the University of Iceland Science Institute. Results show that low temporal correlation is a significant problem for the application of interferometry to small, low-elevation ice caps, even over a one-day repeat interval, and especially at the higher elevations. Results also show that an uncompensated error in the phase, ramping from northwest to southeast, present after tying the DEM to ground-control points, has resulted in a systematic error across the DEM.

  20. Generic models of deep formation water calculated with PHREEQC using the "gebo"-database

    NASA Astrophysics Data System (ADS)

    Bozau, E.; van Berk, W.

    2012-04-01

    To identify processes during the use of formation waters for geothermal energy production an extended hydrogeochemical thermodynamic database (named "gebo"-database) for the well known and commonly used software PHREEQC has been developed by collecting and inserting data from literature. The following solution master species: Fe(+2), Fe(+3), S(-2), C(-4), Si, Zn, Pb, and Al are added to the database "pitzer.dat" which is provided with the code PHREEQC. According to the solution master species the necessary solution species and phases (solid phases and gases) are implemented. Furthermore, temperature and pressure adaptations of the mass action law constants, Pitzer parameters for the calculation of activity coefficients in waters of high ionic strength and solubility equilibria among gaseous and aqueous species of CO2, methane, and hydrogen sulphide are implemented into the "gebo"-database. Combined with the "gebo"-database the code PHREEQC can be used to test the behaviour of highly concentrated solutions (e.g. formation waters, brines). Chemical changes caused by temperature and pressure gradients as well as the exposure of the water to the atmosphere and technical equipments can be modelled. To check the plausibility of additional and adapted data/parameters experimental solubility data from literature (e.g. sulfate and carbonate minerals) are compared to modelled mineral solubilities at elevated levels of Total Dissolved Solids (TDS), temperature, and pressure. First results show good matches between modelled and experimental mineral solubility for barite, celestite, anhydrite, and calcite in high TDS waters indicating the plausibility of additional and adapted data and parameters. Furthermore, chemical parameters of geothermal wells in the North German Basin are used to test the "gebo"-database. The analysed water composition (starting with the main cations and anions) is calculated by thermodynamic equilibrium reactions of pure water with the minerals found in

  1. Monte Carlo based geometrical model for efficiency calculation of an n-type HPGe detector.

    PubMed

    Cabal, Fatima Padilla; Lopez-Pino, Neivy; Bernal-Castillo, Jose Luis; Martinez-Palenzuela, Yisel; Aguilar-Mena, Jimmy; D'Alessandro, Katia; Arbelo, Yuniesky; Corrales, Yasser; Diaz, Oscar

    2010-12-01

    A procedure to optimize the geometrical model of an n-type detector is described. Sixteen lines from seven point sources ((241)Am, (133)Ba, (22)Na, (60)Co, (57)Co, (137)Cs and (152)Eu) placed at three different source-to-detector distances (10, 20 and 30 cm) were used to calibrate a low-background gamma spectrometer between 26 and 1408 keV. Direct Monte Carlo techniques using the MCNPX 2.6 and GEANT 4 9.2 codes, and a semi-empirical procedure were performed to obtain theoretical efficiency curves. Since discrepancies were found between experimental and calculated data using the manufacturer parameters of the detector, a detail study of the crystal dimensions and the geometrical configuration is carried out. The relative deviation with experimental data decreases from a mean value of 18-4%, after the parameters were optimized.

  2. Ab Initio No-Core Shell Model Calculations Using Realistic Two- and Three-Body Interactions

    SciTech Connect

    Navratil, P; Ormand, W E; Forssen, C; Caurier, E

    2004-11-30

    There has been significant progress in the ab initio approaches to the structure of light nuclei. One such method is the ab initio no-core shell model (NCSM). Starting from realistic two- and three-nucleon interactions this method can predict low-lying levels in p-shell nuclei. In this contribution, we present a brief overview of the NCSM with examples of recent applications. We highlight our study of the parity inversion in {sup 11}Be, for which calculations were performed in basis spaces up to 9{Dirac_h}{Omega} (dimensions reaching 7 x 10{sup 8}). We also present our latest results for the p-shell nuclei using the Tucson-Melbourne TM three-nucleon interaction with several proposed parameter sets.

  3. The oxidation of isoprene in the troposphere - Mechanism and model calculations

    NASA Technical Reports Server (NTRS)

    Brewer, D. A.; Ogliaruso, M. A.; Augustsson, T. R.; Levine, J. S.

    1984-01-01

    Calculations have been performed for 15 deg N and 45 deg N latitude continental conditions using a one-dimensional, steady state photochemical model that incorporates a chemical mechanism describing the oxidation of isoprene by OH and O3 in the troposphere. At the higher latitude, anthropogenic hydrocarbon emission effects on NO(x) vertical profiles, as well as those of HNO3, overshadow isoprene emissions effects; at the lower latitude, reduced anthropogenic emissions and increased isoprene emissions respectively yield 26 and 4 percent increases in NO(x) and HNO3 column contents. It is suggested that a significant quantity of isoprene goes to the formation of longer carbon chain oxygenated organic species.

  4. Realistic shell-model calculations and exotic nuclei around {sup 132}Sn

    SciTech Connect

    Covello, A.; Itaco, N.; Coraggio, L.; Gargano, A.

    2008-11-11

    We report on a study of exotic nuclei around doubly magic {sup 132}Sn in terms of the shell model employing a realistic effective interaction derived from the CD-Bonn nucleon-nucleon potential. The short-range repulsion of the latter is renormalized by constructing a smooth low-momentum potential, V{sub low-k}, that is used directly as input for the calculation of the effective interaction. In this paper, we focus attention on proton-neutron multiplets in the odd-odd nuclei {sup 134}Sb, {sup 136}Sb. We show that the behavior of these multiplets is quite similar to that of the analogous multiplets in the counterpart nuclei in the {sup 208}Pb region, {sup 210}Bi and {sup 212}Bi.

  5. Flow aerodynamics modeling of an MHD swirl combustor - Calculations and experimental verification

    NASA Technical Reports Server (NTRS)

    Gupta, A. K.; Beer, J. M.; Louis, J. F.; Busnaina, A. A.; Lilley, D. G.

    1981-01-01

    The paper describes a computer code for calculating the flow dynamics of a constant-density flow in the second-stage trumpet shaped nozzle section of a two-stage MHD swirl combustor for application to a disk generator. The primitive pressure-velocity variable, finite-difference computer code has been developed for the computation of inert nonreacting turbulent swirling flows in an axisymmetric MHD model swirl combustor. The method and program involve a staggered grid system for axial and radial velocities, and a line relaxation technique for the efficient solution of the equations. The code produces as output the flow field map of the nondimensional stream function, axial and swirl velocity. It was found that the best location for seed injection to obtain a uniform distribution at the combustor exit is in the central location for seed injected at the entrance to the second stage combustor.

  6. Nuclear structure of 76Ge from inelastic neutron scattering measurements and shell model calculations

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, S.; Crider, B. P.; Brown, B. A.; Ashley, S. F.; Chakraborty, A.; Kumar, A.; McEllistrem, M. T.; Peters, E. E.; Prados-Estévez, F. M.; Yates, S. W.

    2017-01-01

    The low-lying, low-spin levels of 76Ge were studied with the (n ,n'γ ) reaction. Gamma-ray excitation function measurements were performed at incident neutron energies from 1.6 to 3.7 MeV, and γ -ray angular distributions were measured at neutron energies of 3.0 and 3.5 MeV. From these measurements, level spins, level lifetimes, γ -ray intensities, and multipole mixing ratios were determined. No evidence for a number of previously placed levels was found. Below 3.3 MeV, many new levels were identified, and the level scheme was re-evaluated. The B (E 2 ) values support low-lying band structure. The 2+ mixed-symmetry state has been identified for the first time. A comparison of the level characteristics with large-scale shell model calculations yielded excellent agreement.

  7. R-matrix calculations of electron molecule collision data for plasma models

    NASA Astrophysics Data System (ADS)

    Tennyson, Jonathan

    2016-09-01

    Models of low-pressure plasma require electron collision cross sections for many processes. For transient molecular species, almost none of these data are available from laboratory measurements so theory has to be the chosen means of providing the necessary information. The R-matrix method is a well-established fully quantal procedure for computing low-energy electron-collision cross sections. The R-matrix calculations using the UK Molecular R-matrix codes (UKRMol), which are run by the Quantemol-N expert system, are being employed to provide a wide range of collision cross sections. These are augmented by use of suitable high-energy approximations, such as BEB for ionisation, and a novel procedure to give branching ratios for the fragmentation pattern following electron impact ionisation and electron impact dissociation. Examples, such as recently generated complete cross section sets for the molecules NF, NF and NF, will be given at the meeting.

  8. Applicability of n-vicinity method for calculation of free energy of Ising model

    NASA Astrophysics Data System (ADS)

    Kryzhanovsky, Boris; Litinskii, Leonid

    2017-02-01

    Here we apply the n-vicinity method of approximate calculation of the partition function to an Ising Model with the nearest neighbor interaction on D-dimensional hypercube lattice. We solve the equation of state for an arbitrary dimension D and analyze the behavior of the free energy. As expected, for large dimensions (D ≥ 3) the system demonstrates a phase transition of the second kind. In this case, we obtain a simple analytical expression for the critical value of the inverse temperature. When 3 ≤ D ≤ 7 this expression is in a very good agreement with the results of computer simulations. In the case of small dimensions (D = 1 , 2), there is a noticeable discrepancy with the known exact results.

  9. Thermodynamic physico-chemical modelling and calculation for the synthesis process of modern functional materials

    NASA Astrophysics Data System (ADS)

    Uspensky, A. B.; Ralys, R.; Kremnev, D.; Radin, M.; Slobodov, A.

    2017-02-01

    The method of thermodynamic modeling of phase and chemical transformations for synthesis conditions of multicomponent functional materials is presented. Calculation of the phase transformations taking place in the conditions of synthesis and operation of ceramic materials on the basis of the system SiO2 – K2O – Na2O – Al2O3 – Fe2O3 – CaO – MgO – TiO2 – P2O5 – SO3 in the field of temperatures from 0 to 2000° C is carried out. The sequence of phase and chemical transformations between components of synthesizable material and their reaction products, depending on temperature, is founded.

  10. Solar ultraviolet irradiance for clear sky days incident at Rosario, Argentina: Measurements and model calculations

    NASA Astrophysics Data System (ADS)

    Piacentini, R. D.; Alfano, O. M.; Albizzati, E. D.; Luccini, E. A.; Herman, J. R.

    2002-08-01

    Results of measurements are presented of clear-sky day solar UV irradiance (295-385 nm) in the August 1995 to June 1999 period at the Observatorio Astronómico de Rosario, Argentina, a place typical of the most populated Humid Pampa region of the country. The data give a detailed description of UV variation as a function of time in a given day and for different days of the year. Model calculations for clear-sky days at noon are done, employing the tropospheric ultraviolet visible radiation model (TUV) Madronich radiative transfer code, with the mean monthly ozone and aerosol content of the atmosphere and surface reflectivity provided by the Total Ozone Mapping Spectrometer (TOMS)/NASA instrument on board of the Earth Probe satellite. Two aerosol characteristics are tested in the model, rural-urban and mean urban, with the mean urban giving best agreement with the measurements. A simple mathematical expression is proposed for the ``mean'' typical curve, which gives a good approximation to the clear sky UV noon data for Rosario. It can be used for extending the results to nearby places and for comparison with other regions of the world having similar atmospheric and albedo conditions.

  11. Symmetry-Adapted Ab Initio Shell Model for Nuclear Structure Calculations

    NASA Astrophysics Data System (ADS)

    Draayer, J. P.; Dytrych, T.; Launey, K. D.; Langr, D.

    2012-05-01

    An innovative concept, the symmetry-adapted ab initio shell model, that capitalizes on partial as well as exact symmetries that underpin the structure of nuclei, is discussed. This framework is expected to inform the leading features of nuclear structure and reaction data for light and medium mass nuclei, which are currently inaccessible by theory and experiment and for which predictions of modern phenomenological models often diverge. We use powerful computational and group-theoretical algorithms to perform ab initio CI (configuration-interaction) calculations in a model space spanned by SU(3) symmetry-adapted many-body configurations with the JISP16 nucleon-nucleon interaction. We demonstrate that the results for the ground states of light nuclei up through A = 16 exhibit a strong dominance of low-spin and high-deformation configurations together with an evident symplectic structure. This, in turn, points to the importance of using a symmetry-adapted framework, one based on an LS coupling scheme with the associated spatial configurations organized according to deformation.

  12. A Program for Calculating and Plotting Synthetic Common-Source Seismic-Reflection Traces for Multilayered Earth Models.

    ERIC Educational Resources Information Center

    Ramananantoandro, Ramanantsoa

    1988-01-01

    Presented is a description of a BASIC program to be used on an IBM microcomputer for calculating and plotting synthetic seismic-reflection traces for multilayered earth models. Discusses finding raypaths for given source-receiver offsets using the "shooting method" and calculating the corresponding travel times. (Author/CW)

  13. Recent advances in the two source energy balance model to calculate E.T. and ET for row crops

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Calculation of evaporation (E), transpiration (T), and evapotranspiration (ET) are fundamental to assess strategies and tactics that might improve crop water productivity in both irrigated and dryland production systems. One approach to calculate E, T, and ET is by a two-source energy balance model ...

  14. A New Approach to Calculate Indirect GWPs using the UIUC 2-D CRT and RTM Model

    NASA Astrophysics Data System (ADS)

    Li, Y.; Youn, D.; Patten, K.; Wuebbles, D.

    2006-12-01

    Global warming potentials (GWPs) are defined to be the total impact over time of adding a unit mass of a greenhouse gas to the atmosphere. Indirect GWPs are due to ozone depletion effects in the stratosphere for a certain compound and therefore stand for the long-term global cooling effects. Previously, indirect GWPs were calculated using a box model, which was not able to consider the complex processes in the atmosphere. As a step towards obtaining indirect GWPs through a more robust approach, the UIUC 2-D CRT model was used as the computational tool to derive ozone changes. The 2-D model has more realistic chemical, physical, and dynamical processes in the atmosphere and a relatively complete transport system, which makes it useful for a more accurate analysis. Furthermore, the University of Illinois at Urbana-Champaign (UIUC) radiative transfer model (RTM) is employed to derive the corresponding time-dependent radiative forcings from the 2-D CRT outputs. Two Halon compounds, Halon-1211 and Halon-1301, were selected to be studied for their indirect GWPs. The results showed that instantaneous and stratospheric adjusted indirect GWPs for a 100-year horizon are -10004.8 and -10237.1 for Halon-1211, while for Halon-1301 they are -19218.0 and -19627.6. The indirect GWPs for Halon-1211 and -1301 presented here are two to three times smaller compared to the results in WMO (2006) draft. Further analysis on indirect GWPs will be carried out using our 3-D MOZART-3 model.

  15. Modeling Atmospheric Emissions and Calculating Mortality Rates Associated with High Volume Hydraulic Fracturing Transportation

    NASA Astrophysics Data System (ADS)

    Mathews, Alyssa

    Emissions from the combustion of fossil fuels are a growing pollution concern throughout the global community, as they have been linked to numerous health issues. The freight transportation sector is a large source of these emissions and is expected to continue growing as globalization persists. Within the US, the expanding development of the natural gas industry is helping to support many industries and leading to increased transportation. The process of High Volume Hydraulic Fracturing (HVHF) is one of the newer advanced extraction techniques that is increasing natural gas and oil reserves dramatically within the US, however the technique is very resource intensive. HVHF requires large volumes of water and sand per well, which is primarily transported by trucks in rural areas. Trucks are also used to transport waste away from HVHF well sites. This study focused on the emissions generated from the transportation of HVHF materials to remote well sites, dispersion, and subsequent health impacts. The Geospatial Intermodal Freight Transport (GIFT) model was used in this analysis within ArcGIS to identify roadways with high volume traffic and emissions. High traffic road segments were used as emissions sources to determine the atmospheric dispersion of particulate matter using AERMOD, an EPA model that calculates geographic dispersion and concentrations of pollutants. Output from AERMOD was overlaid with census data to determine which communities may be impacted by increased emissions from HVHF transport. The anticipated number of mortalities within the impacted communities was calculated, and mortality rates from these additional emissions were computed to be 1 in 10 million people for a simulated truck fleet meeting stricter 2007 emission standards, representing a best case scenario. Mortality rates due to increased truck emissions from average, in-use vehicles, which represent a mixed age truck fleet, are expected to be higher (1 death per 341,000 people annually).

  16. Comparison of Model Calculations of Biological Damage from Exposure to Heavy Ions with Measurements

    NASA Technical Reports Server (NTRS)

    Kim, Myung-Hee Y.; Hada, Megumi; Cucinotta, Francis A.; Wu, Honglu

    2014-01-01

    The space environment consists of a varying field of radiation particles including high-energy ions, with spacecraft shielding material providing the major protection to astronauts from harmful exposure. Unlike low-LET gamma or X rays, the presence of shielding does not always reduce the radiation risks for energetic charged-particle exposure. Dose delivered by the charged particle increases sharply at the Bragg peak. However, the Bragg curve does not necessarily represent the biological damage along the particle path since biological effects are influenced by the track structures of both primary and secondary particles. Therefore, the ''biological Bragg curve'' is dependent on the energy and the type of the primary particle and may vary for different biological end points. Measurements of the induction of micronuclei (MN) have made across the Bragg curve in human fibroblasts exposed to energetic silicon and iron ions in vitro at two different energies, 300 MeV/nucleon and 1 GeV/nucleon. Although the data did not reveal an increased yield of MN at the location of the Bragg peak, the increased inhibition of cell progression, which is related to cell death, was found at the Bragg peak location. These results are compared to the calculations of biological damage using a stochastic Monte-Carlo track structure model, Galactic Cosmic Ray Event-based Risk Model (GERM) code (Cucinotta, et al., 2011). The GERM code estimates the basic physical properties along the passage of heavy ions in tissue and shielding materials, by which the experimental set-up can be interpreted. The code can also be used to describe the biophysical events of interest in radiobiology, cancer therapy, and space exploration. The calculation has shown that the severely damaged cells at the Bragg peak are more likely to go through reproductive death, the so called "overkill".

  17. HSCT Assessment Calculations with the AER 2-D Model: Sensitivities to Transport Formulation, PSC Formulation, Interannual Temperature Variation. Appendix C

    NASA Technical Reports Server (NTRS)

    Weisenstein, Debra K.; Ko, Malcolm K. W.; Scott, Courtney J.; Shia, Run-Lie; Jackman, Charles; Fleming, Eric; Considine, David; Kinnison, Douglas; Connell, Peter; Rotman, Douglas

    1998-01-01

    The summary are: (1) Some chemical differences in background atmosphere are surprisingly large (NOY). (2) Differences in model transport explain a majority of the intertnodel differences in the absence of PSCs. (3) With PSCS, large differences exist in predicted O3 depletion between models with the same transport. (4) AER/LLNL model calculates more O3 depletion in NH than LLNL. (5) AER/GSFC model cannot match calculated O3 depletion of GSFC model in SH. and (6) Results sensitive to interannual temperature variations (at least in NH).

  18. Model calculation of the static magnetic susceptibility in light rare earth metallic systems

    NASA Astrophysics Data System (ADS)

    Hammoud, Y.; Parlebas, J. C.

    1991-05-01

    Using the impurity Anderson model in the large N_f approximation, where N_f is the orbital and spin degeneracy of the f level, we calculate the zero temperature static paramagnetic susceptibility of light rare earth metallic systems. The calculation is performed for large values of the Coulomb U_ff electron-electron interactions with respect of the V hybridization of f1 and f2 configurations with the conduction states (i.e. f0 configuration) : we only keep the leading terms in a development in successive powers of 1/U_ff and V. Our numerical results on the magnetic susceptibility start from a simple analytic expression and are discussed in terms of the f level position, the hybridization V, the shape and filling of the conduction band and also the finite U_ff effects. Finally we present calculated curves for the susceptibility versus V in connection with the αγ transition of cerium and utilizing the same parameters as those used previously to obtain core level LIII absorption spectra : also in the case of the susceptibility, the hybridization appears to be an important parameter to describe the phase change from γ to α cerium. Nous utilisons le modèle d'Anderson à une impureté dans l'approximation des grands N_f où N_f est la dégénérescence d'orbitale et de spin du niveau f et nous calculons alors la susceptibilité paramagnétique statique (à température nulle) dans les systèmes métalliques de terres rares légères. Nous effectuons notre calcul pour des valeurs de l'interaction de Coulomb U_ff grandes par rapport à l'hybridation V des configurations f1 et f2 avec les états de conduction (c.-à-d. la configuration f0): nous ne retenons que les termes les plus imporatnts dans un développement en puissances successives de 1/U_ff et V. Ensuite nous discutons nos résultats numériques à partir d'une forme analytique simple obtenue pour la susceptibilité magnétique en fonction de la position du niveau f, de l'hybridation V, de la forme et du

  19. The effects of digital elevation model resolution on the calculation and predictions of topographic wetness indices.

    SciTech Connect

    Drover, Damion, Ryan

    2011-12-01

    One of the largest exports in the Southeast U.S. is forest products. Interest in biofuels using forest biomass has increased recently, leading to more research into better forest management BMPs. The USDA Forest Service, along with the Oak Ridge National Laboratory, University of Georgia and Oregon State University are researching the impacts of intensive forest management for biofuels on water quality and quantity at the Savannah River Site in South Carolina. Surface runoff of saturated areas, transporting excess nutrients and contaminants, is a potential water quality issue under investigation. Detailed maps of variable source areas and soil characteristics would therefore be helpful prior to treatment. The availability of remotely sensed and computed digital elevation models (DEMs) and spatial analysis tools make it easy to calculate terrain attributes. These terrain attributes can be used in models to predict saturated areas or other attributes in the landscape. With laser altimetry, an area can be flown to produce very high resolution data, and the resulting data can be resampled into any resolution of DEM desired. Additionally, there exist many maps that are in various resolutions of DEM, such as those acquired from the U.S. Geological Survey. Problems arise when using maps derived from different resolution DEMs. For example, saturated areas can be under or overestimated depending on the resolution used. The purpose of this study was to examine the effects of DEM resolution on the calculation of topographic wetness indices used to predict variable source areas of saturation, and to find the best resolutions to produce prediction maps of soil attributes like nitrogen, carbon, bulk density and soil texture for low-relief, humid-temperate forested hillslopes. Topographic wetness indices were calculated based on the derived terrain attributes, slope and specific catchment area, from five different DEM resolutions. The DEMs were resampled from LiDAR, which is a

  20. Development of CT scanner models for patient organ dose calculations using Monte Carlo methods

    NASA Astrophysics Data System (ADS)

    Gu, Jianwei

    CT scanner models in this dissertation were versatile and accurate tools for estimating dose to different patient phantoms undergoing various CT procedures. The organ doses from kV and MV CBCT were also calculated. This dissertation finally summarizes areas where future research can be performed including MV CBCT further validation and application, dose reporting software and image and dose correlation study.

  1. Accuracy of the phase space evolution dose calculation model for clinical 25 MeV electron beams.

    PubMed

    Korevaar, E W; Akhiat, A; Heijmen, B J; Huizenga, H

    2000-10-01

    The phase space evolution (PSE) model is a dose calculation model for electron beams in radiation oncology developed with the aim of a higher accuracy than the commonly used pencil beam (PB) models and with shorter calculation times than needed for Monte Carlo (MC) calculations. In this paper the accuracy of the PSE model has been investigated for 25 MeV electron beams of a MM50 racetrack microtron (Scanditronix Medical AB, Sweden) and compared with the results of a PB model. Measurements have been performed for tests like non-standard SSD, irregularly shaped fields, oblique incidence and in phantoms with heterogeneities of air, bone and lung. MC calculations have been performed as well, to reveal possible errors in the measurements and/or possible inaccuracies in the interaction data used for the bone and lung substitute materials. Results show a good agreement between PSE calculated dose distributions and measurements. For all points the differences--in absolute dose--were generally well within 3% and 3 mm. However, the PSE model was found to be less accurate in large regions of low-density material and errors of up to 6% were found for the lung phantom. Results of the PB model show larger deviations, with differences of up to 6% and 6 mm and of up to 10% for the lung phantom; at shortened SSDs the dose was overestimated by up to 6%. The agreement between MC calculations and measurement was good. For the bone and the lung phantom maximum deviations of 4% and 3% were found, caused by uncertainties about the actual interaction data. In conclusion, using the phase space evolution model, absolute 3D dose distributions of 25 MeV electron beams can be calculated with sufficient accuracy in most cases. The accuracy is significantly better than for a pencil beam model. In regions of lung tissue, a Monte Carlo model yields more accurate results than the current implementation of the PSE model.

  2. Accuracy of the phase space evolution dose calculation model for clinical 25 MeV electron beams

    NASA Astrophysics Data System (ADS)

    Korevaar, Erik W.; Akhiat, Abdelhafid; Heijmen, Ben J. M.; Huizenga, Henk

    2000-10-01

    The phase space evolution (PSE) model is a dose calculation model for electron beams in radiation oncology developed with the aim of a higher accuracy than the commonly used pencil beam (PB) models and with shorter calculation times than needed for Monte Carlo (MC) calculations. In this paper the accuracy of the PSE model has been investigated for 25 MeV electron beams of a MM50 racetrack microtron (Scanditronix Medical AB, Sweden) and compared with the results of a PB model. Measurements have been performed for tests like non-standard SSD, irregularly shaped fields, oblique incidence and in phantoms with heterogeneities of air, bone and lung. MC calculations have been performed as well, to reveal possible errors in the measurements and/or possible inaccuracies in the interaction data used for the bone and lung substitute materials. Results show a good agreement between PSE calculated dose distributions and measurements. For all points the differences - in absolute dose - were generally well within 3% and 3 mm. However, the PSE model was found to be less accurate in large regions of low-density material and errors of up to 6% were found for the lung phantom. Results of the PB model show larger deviations, with differences of up to 6% and 6 mm and of up to 10% for the lung phantom; at shortened SSDs the dose was overestimated by up to 6%. The agreement between MC calculations and measurement was good. For the bone and the lung phantom maximum deviations of 4% and 3% were found, caused by uncertainties about the actual interaction data. In conclusion, using the phase space evolution model, absolute 3D dose distributions of 25 MeV electron beams can be calculated with sufficient accuracy in most cases. The accuracy is significantly better than for a pencil beam model. In regions of lung tissue, a Monte Carlo model yields more accurate results than the current implementation of the PSE model.

  3. Molecular modeling of hair keratin/peptide complex: Using MM-PBSA calculations to describe experimental binding results.

    PubMed

    Azoia, Nuno G; Fernandes, Margarida M; Micaêlo, Nuno M; Soares, Cláudio M; Cavaco-Paulo, Artur

    2012-05-01

    Molecular dynamics simulations of a keratin/peptide complex have been conducted to predict the binding affinity of four different peptides toward human hair. Free energy calculations on the peptides' interaction with the keratin model demonstrated that electrostatic interactions are believed to be the main driving force stabilizing the complex. The molecular mechanics-Poisson-Boltzmann surface area methodology used for the free energy calculations demonstrated that the dielectric constant in the protein's interior plays a major role in the free energy calculations, and the only way to obtain accordance between the free energy calculations and the experimental binding results was to use the average dielectric constant.

  4. Comparison of four models to calculate canopy resistance of maize in North Italy

    NASA Astrophysics Data System (ADS)

    Gharsallah, O.; Ravazzani, G.; Mancini, M.; Rana, G.

    2010-05-01

    This paper examines four models for estimating canopy resistance rc, since it is not a purely physiological term, but it depends also on the prevailing climatic conditions get established over the canopy, in order to calculate the actual evapotranspiration on hourly and daily scales, for maize crop grown in North Italy. A comparison between Measured and estimated eddy covariance data was carried out by analysing in details the four models 1) Monteith, 2) Jarvis, 3) Katerji-Perrier, 4) Todorovic. They are either semi-empirical (1, 2 and 3) or mechanistic (4). Furthermore, the FAO approach was also evaluated and compared with the others techniques. In synthesis, rc has not been considered as constant but modelled in function of leaf area index through the approach of Monteith and influenced by the photo synthetically active radiation, the vapour pressure deficit, ambient temperature and the soil moisture through the approach of Jarvis. Moreover, rc has been modelled as a function of the climatic variables and water status condition through the approach of Katerji-Perrier which needs a calibration and finally as a function of only the climatic condition through the approach of Todorovic which does not need any calibration. The results confirmed the good accuracy of Katerji-Perrier method at both hourly and daily scale, while the approach of Monteith, Jarvis and Todorovic provided an overestimation respectively 12%, 27% and 30%. However, the evaluation of FAO method gave an overestimation and showed that both ET0 and Kc could be sources of errors. Key words: Canopy resistance, eddy covariance, Monteith, Jarvis, Katerji-Perrier, Todorovic, FAO

  5. Unified coordinate system model for performance calculation of fix-pad journal bearing with different pad preload

    NASA Astrophysics Data System (ADS)

    Zhu, Aibin; Yang, Yulei; Chen, Wei; Yuan, Xiaoyang

    2014-05-01

    Traditional model for calculating performance parameters of a fix-pad journal bearing leads to heavy workload, complicated and changeable formulae as it requires deriving various geometric formulae with different bearing types such as circular journal bearing, dislocated bearing and elliptic bearing. Considering different pad preload ratios for non-standard bearing, traditional model not only becomes more complicated but also reduces scalability and promotion of the calculation programs. For the complexly case of traditional model while dealing with various fix-pad journal bearings, unified coordinate system model for performance calculation of fix-pad journal bearing is presented in the paper. A unified coordinate system with the bearing center at the origin is established, and the eccentricity ratio and attitude angle of axis relative to each pad are calculated through the coordinates of journal center and each pad center. Geometric description of fix-pad journal bearing is unified in this model, which can be used for both various standard bearing and non-standard bearing with different pad preload ratios. Validity of this model is verified with an elliptical bearing. Performance of a non-standard four-leaf bearing with different pad preload ratios is calculated based on this model. The calculation result shows that increasing preload ratio of the pad 1 and keeping that of the left three pads constant improves bearing capacity, stiffness and damping coefficients. This research presents a unified coordinate system model unifies performance calculation of fix-pad journal bearings and studied a non-standard four-leaf bearing with different pad preload ratios, the research conclusions provides new methods for performance calculation of fix-pad journal bearings.

  6. Comparison of Model Calculations of Biological Damage from Exposure to Heavy Ions with Measurements

    NASA Astrophysics Data System (ADS)

    Kim, Myung-Hee Y.; Wu, Honglu; Hada, Megumi; Cucinotta, Francis

    The space environment consists of a varying field of radiation particles including high-energy ions, with spacecraft shielding material providing the major protection to astronauts from harmful exposure. Unlike low-LET g or X rays, the presence of shielding does not always reduce the radiation risks for energetic charged-particle exposure. Dose delivered by the charged particle increases sharply at the Bragg peak. However, the Bragg curve does not necessarily represent the biological damage along the particle path since biological effects are influenced by the track structures of both primary and secondary particles. Therefore, the ‘‘biological Bragg curve’’ is dependent on the energy and the type of the primary particle and may vary for different biological end points. Measurements of the induction of micronuclei (MN) have made across the Bragg curve in human fibroblasts exposed to energetic silicon and iron ions in vitro at two different energies, 300 MeV/nucleon and 1 GeV/nucleon. Although the data did not reveal an increased yield of MN at the location of the Bragg peak, the increased inhibition of cell progression, which is related to cell death, was found at the Bragg peak location. These results are compared to the calculations of biological damage using a stochastic Monte-Carlo track structure model, Galactic Cosmic Ray Event-based Risk Model (GERM) code (Cucinotta et al., 2011). The GERM code estimates the basic physical properties along the passage of heavy ions in tissue and shielding materials, by which the experimental set-up can be interpreted. The code can also be used to describe the biophysical events of interest in radiobiology, cancer therapy, and space exploration. The calculation has shown that the severely damaged cells at the Bragg peak are more likely to go through reproductive death, the so called “overkill”. F. A. Cucinotta, I. Plante, A. L. Ponomarev, and M. Y. Kim, Nuclear Interactions in Heavy Ion Transport and Event

  7. On the calculations of interaction energies and induced electric properties within the polarizable continuum model.

    PubMed

    Zawada, Agnieszka; Góra, Robert W; Mikołajczyk, Mikołaj M; Bartkowiak, Wojciech

    2012-05-03

    In this work we investigate the influence of a polarizable environment on the interaction energies and the interaction-induced (excess) static electric dipole properties for the selected model hydrogen-bonded complexes. The excess properties were estimated for water and hydrogen fluoride dimers using the supermolecular approach and assuming the polarizable continuum model (PCM) as a representation of the polarizable environment. We analyze in this context the performance of the counterpoise correction and the consequences of various possible monomer cavity choices. The polarizable environment reduces the absolute magnitudes of interaction energies and interaction-induced dipole moments, whereas an increase is observed for the absolute magnitudes of induced polarizabilities and first hyperpolarizabilities. Our results indicate that the use of either monomeric (MC) or dimeric (DC) cavities in calculations of monomer properties does not change qualitatively the resultant excess properties. We conclude that the DC scheme is more consistent with the definition of the interaction energy and consequently also the interaction-induced property, whereas the MC scheme corresponds to the definition of stabilization energy. Our results indicate also a good performance of the counterpoise correction scheme for the self-consistent methods in the case of all studied properties.

  8. A Simple Geometrical Model for Calculation of the Effective Emissivity in Blackbody Cylindrical Cavities

    NASA Astrophysics Data System (ADS)

    De Lucas, Javier

    2015-03-01

    A simple geometrical model for calculating the effective emissivity in blackbody cylindrical cavities has been developed. The back ray tracing technique and the Monte Carlo method have been employed, making use of a suitable set of coordinates and auxiliary planes. In these planes, the trajectories of individual photons in the successive reflections between the cavity points are followed in detail. The theoretical model is implemented by using simple numerical tools, programmed in Microsoft Visual Basic for Application and Excel. The algorithm is applied to isothermal and non-isothermal diffuse cylindrical cavities with a lid; however, the basic geometrical structure can be generalized to a cylindro-conical shape and specular reflection. Additionally, the numerical algorithm and the program source code can be used, with minor changes, for determining the distribution of the cavity points, where photon absorption takes place. This distribution could be applied to the study of the influence of thermal gradients on the effective emissivity profiles, for example. Validation is performed by analyzing the convergence of the Monte Carlo method as a function of the number of trials and by comparison with published results of different authors.

  9. Exact calculation of the time convolutionless master equation generator: Application to the nonequilibrium resonant level model.

    PubMed

    Kidon, Lyran; Wilner, Eli Y; Rabani, Eran

    2015-12-21

    The generalized quantum master equation provides a powerful tool to describe the dynamics in quantum impurity models driven away from equilibrium. Two complementary approaches, one based on Nakajima-Zwanzig-Mori time-convolution (TC) and the other on the Tokuyama-Mori time-convolutionless (TCL) formulations provide a starting point to describe the time-evolution of the reduced density matrix. A key in both approaches is to obtain the so called "memory kernel" or "generator," going beyond second or fourth order perturbation techniques. While numerically converged techniques are available for the TC memory kernel, the canonical approach to obtain the TCL generator is based on inverting a super-operator in the full Hilbert space, which is difficult to perform and thus, nearly all applications of the TCL approach rely on a perturbative scheme of some sort. Here, the TCL generator is expressed using a reduced system propagator which can be obtained from system observables alone and requires the calculation of super-operators and their inverse in the reduced Hilbert space rather than the full one. This makes the formulation amenable to quantum impurity solvers or to diagrammatic techniques, such as the nonequilibrium Green's function. We implement the TCL approach for the resonant level model driven away from equilibrium and compare the time scales for the decay of the generator with that of the memory kernel in the TC approach. Furthermore, the effects of temperature, source-drain bias, and gate potential on the TCL/TC generators are discussed.

  10. Microscopic model calculations for the magnetization process of layered triangular-lattice quantum antiferromagnets.

    PubMed

    Yamamoto, Daisuke; Marmorini, Giacomo; Danshita, Ippei

    2015-01-16

    Magnetization processes of spin-1/2 layered triangular-lattice antiferromagnets (TLAFs) under a magnetic field H are studied by means of a numerical cluster mean-field method with a scaling scheme. We find that small antiferromagnetic couplings between the layers give rise to several types of extra quantum phase transitions among different high-field coplanar phases. Especially, a field-induced first-order transition is found to occur at H≈0.7H_{s}, where H_{s} is the saturation field, as another common quantum effect of ideal TLAFs in addition to the well-established one-third plateau. Our microscopic model calculation with appropriate parameters shows excellent agreement with experiments on Ba_{3}CoSb_{2}O_{9} [T. Susuki et al., Phys. Rev. Lett. 110, 267201 (2013)]. Given this fact, we suggest that the Co^{2+}-based compounds may allow for quantum simulations of intriguing properties of this simple frustrated model, such as quantum criticality and supersolid states.

  11. Mathematical model and calculation of water-cooling efficiency in a film-filled cooling tower

    NASA Astrophysics Data System (ADS)

    Laptev, A. G.; Lapteva, E. A.

    2016-10-01

    Different approaches to simulation of momentum, mass, and energy transfer in packed beds are considered. The mathematical model of heat and mass transfer in a wetted packed bed for turbulent gas flow and laminar wave counter flow of the fluid film in sprinkler units of a water-cooling tower is presented. The packed bed is represented as the set of equivalent channels with correction to twisting. The idea put forward by P. Kapitsa on representation of waves on the interphase film surface as elements of the surface roughness in interaction with the gas flow is used. The temperature and moisture content profiles are found from the solution of differential equations of heat and mass transfer written for the equivalent channel with the volume heat and mass source. The equations for calculation of the average coefficients of heat emission and mass exchange in regular and irregular beds with different contact elements, as well as the expression for calculation of the average turbulent exchange coefficient are presented. The given formulas determine these coefficients for the known hydraulic resistance of the packed bed element. The results of solution of the system of equations are presented, and the water temperature profiles are shown for different sprinkler units in industrial water-cooling towers. The comparison with experimental data on thermal efficiency of the cooling tower is made; this allows one to determine the temperature of the cooled water at the output. The technical solutions on increasing the cooling tower performance by equalization of the air velocity profile at the input and creation of an additional phase contact region using irregular elements "Inzhekhim" are considered.

  12. Model calculated global, regional and megacity premature mortality due to air pollution

    NASA Astrophysics Data System (ADS)

    Lelieveld, J.; Barlas, C.; Giannadaki, D.; Pozzer, A.

    2013-07-01

    Air pollution by fine particulate matter (PM2.5) and ozone (O3) has increased strongly with industrialization and urbanization. We estimate the premature mortality rates and the years of human life lost (YLL) caused by anthropogenic PM2.5 and O3 in 2005 for epidemiological regions defined by the World Health Organization (WHO). This is based upon high-resolution global model calculations that resolve urban and industrial regions in greater detail compared to previous work. Results indicate that 69% of the global population is exposed to an annual mean anthropogenic PM2.5 concentration of >10 μg m-3 (WHO guideline) and 33% to > 25 μg m-3 (EU directive). We applied an epidemiological health impact function and find that especially in large countries with extensive suburban and rural populations, air pollution-induced mortality rates have been underestimated given that previous studies largely focused on the urban environment. We calculate a global respiratory mortality of about 773 thousand/year (YLL ≈ 5.2 million/year), 186 thousand/year by lung cancer (YLL ≈ 1.7 million/year) and 2.0 million/year by cardiovascular disease (YLL ≈ 14.3 million/year). The global mean per capita mortality caused by air pollution is about 0.1% yr-1. The highest premature mortality rates are found in the Southeast Asia and Western Pacific regions (about 25% and 46% of the global rate, respectively) where more than a dozen of the most highly polluted megacities are located.

  13. Statistical equilibrium calculations for silicon in early-type model stellar atmospheres

    NASA Technical Reports Server (NTRS)

    Kamp, L. W.

    1976-01-01

    Line profiles of 36 multiplets of silicon (Si) II, III, and IV were computed for a grid of model atmospheres covering the range from 15,000 to 35,000 K in effective temperature and 2.5 to 4.5 in log (gravity). The computations involved simultaneous solution of the steady-state statistical equilibrium equations for the populations and of the equation of radiative transfer in the lines. The variables were linearized, and successive corrections were computed until a minimal accuracy of 1/1000 in the line intensities was reached. The common assumption of local thermodynamic equilibrium (LTE) was dropped. The model atmospheres used also were computed by non-LTE methods. Some effects that were incorporated into the calculations were the depression of the continuum by free electrons, hydrogen and ionized helium line blocking, and auto-ionization and dielectronic recombination, which later were found to be insignificant. Use of radiation damping and detailed electron (quadratic Stark) damping constants had small but significant effects on the strong resonance lines of Si III and IV. For weak and intermediate-strength lines, large differences with respect to LTE computations, the results of which are also presented, were found in line shapes and strengths. For the strong lines the differences are generally small, except for the models at the hot, low-gravity extreme of our range. These computations should be useful in the interpretation of the spectra of stars in the spectral range B0-B5, luminosity classes III, IV, and V.

  14. An improved calculation model of weight coefficient for three-dimensional flame chemiluminescence tomography based on lens imaging theory

    NASA Astrophysics Data System (ADS)

    Jin, Ying; Song, Yang; Wang, Wenchao; Ji, Yunjing; Li, Zhenhua; He, Anzhi

    2016-11-01

    Flame tomography of chemiluminescence is a necessary combustion diagnostic technique that provides instantaneous 3D information on flame structure and excited species concentrations. However, in most research, the simplification of calculation model of weight coefficient based on lens imaging theory always causes information missing, which influences the result of further reconstructions. In this work, an improved calculation model is presented to determine the weight coefficient by the intersection areas of the blurry circle with the square pixels, which is more appropriate to the practical imaging process. The numerical simulation quantitatively evaluates the performance of the improved calculation method. Furthermore, a flame chemiluminescence tomography system consisting of 12 cameras was established to reconstruct 3D structure of instantaneous non-axisymmetric propane flame. Both numerical simulating estimations and experiments illustrate the feasibility of the improved calculation model in combustion diagnostic.

  15. Austrian Carbon Calculator (ACC) - modelling soil carbon dynamics in Austrian soils

    NASA Astrophysics Data System (ADS)

    Sedy, Katrin; Freudenschuss, Alexandra; Zethner, Gehard; Spiegel, Heide; Franko, Uwe; Gründling, Ralf; Xaver Hölzl, Franz; Preinstorfer, Claudia; Haslmayr, Hans Peter; Formayer, Herbert

    2014-05-01

    Austrian Carbon Calculator (ACC) - modelling soil carbon dynamics in Austrian soils. The project funded by the Klima- und Energiefonds, Austrian Climate Research Programme, 4th call Authors: Katrin Sedy, Alexandra Freudenschuss, Gerhard Zethner (Environment Agency Austria), Heide Spiegel (Austrian Agency for Health and Food Safety), Uwe Franko, Ralf Gründling (Helmholtz Centre for Environmental Research) Climate change will affect plant productivity due to weather extremes. However, adverse effects could be diminished and satisfying production levels may be maintained with proper soil conditions. To sustain and optimize the potential of agricultural land for plant productivity it will be necessary to focus on preserving and increasing soil organic carbon (SOC). Carbon sequestration in agricultural soils is strongly influenced by management practice. The present management is affected by management practices that tend to speed up carbon loss. Crop rotation, soil cultivation and the management of crop residues are very important measures to influence carbon dynamics and soil fertility. For the future it will be crucial to focus on practical measures to optimize SOC and to improve soil structure. To predict SOC turnover the existing humus balance model the application of the "Carbon Candy Balance" was verified by results from Austrian long term field experiments and field data of selected farms. Thus the main aim of the project is to generate a carbon balancing tool box that can be applied in different agricultural production regions to assess humus dynamics due to agricultural management practices. The toolbox will allow the selection of specific regional input parameters for calculating the C-balance at field level. However farmers or other interested user can also apply their own field data to receive the result of C-dynamics under certain management practises within the next 100 years. At regional level the impact of predefined changes in agricultural management

  16. Model creation and electronic structure calculation of amorphous hydrogenated boron carbide

    NASA Astrophysics Data System (ADS)

    Belhadj Larbi, Mohammed

    Boron-rich solids are of great interest for many applications, particularly, amorphous hydrogenated boron carbide (a-BC:H) thin films are a leading candidate for numerous applications such as: heterostructure materials, neutron detectors, and photovoltaic energy conversion. Despite this importance, the local structural properties of these materials are not well-known, and very few theoretical studies for this family of disordered solids exist in the literature. In order to optimize this material for its potential applications the structure property relationships need to be discovered. We use a hybrid method in this endeavor---which is to the best of our knowledge the first in the literature---to model and calculate the electronic structure of amorphous hydrogenated boron carbide (a-BC:H). A combination of classical molecular dynamics using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and ab initio quantum mechanical simulations using the Vienna ab initio simulation package (VASP) have been conducted to create geometry optimized models that consist of a disordered hydrogenated twelve-vertex boron carbide icosahedra, with hydrogenated carbon cross-linkers. Then, the density functional theory (DFT) based orthogonalized linear combination of atomic orbitals (OLCAO) method was used to calculate the total and partial density of states (TDOS, PDOS), the complex dielectric function epsilon, and the radial pair distribution function (RPDF). The RPDF data stand as predictions that may be compared with future experimental electron or neutron diffraction data. The electronic structure simulations were not able to demonstrate a band gap of the same nature as that seen in prior experimental work, a general trend of the composition-properties relationship was established. The content of hydrogen and boron was found to be directly proportional to the decrease in the number of available states near the fermi energy, and inversely proportional to the

  17. Validation of a geometrical model for the calculation of the integrated effective emissivity of conical cavities with a lid

    NASA Astrophysics Data System (ADS)

    De Lucas, Javier

    2015-08-01

    In this paper, a geometrical model for the numerical calculation of the integrated effective emissivity of conical isothermal cavities with a lid, is described in detail. We make use of the Montecarlo method and the ‘back ray tracing’ technique, assuming diffuse reflection and a detector situated at an arbitrary distance from the cavity aperture. First, the geometry of the problem is discussed and the local hemispherical emissivity profiles along the cone generatrix are calculated for different configurations. Then we proceed to the validation of the model, by calculating the distribution of the reflected photons in the interior of the cavity, such as it is provided by the numerical algorithm. The calculated distribution is compared with theoretical values, obtained from the expressions of the view factors for the conical geometry. The calculated values for the local and integrated effective emissivity are compared with results published by other authors, highlighting the differences between them, and the internal consistency of our model is demonstrated. Special attention to the calculation of the view factors in conical cavities affected by vignetting due to the obstruction produced by the lid, is paid. The view factors of points at the penumbral region are numerically calculated, applying the Montecarlo method, including a complete analysis of the uncertainty.

  18. Technical Status Review Appraisal of the Suitability of Turbulence Models in Flow Calculations (Revue Technique - L’Evaluation de l’Applicabilite des Modeles de Turbulence dans de Calcul des Ecoulements)

    DTIC Science & Technology

    1991-07-01

    work on the subject should be reviewed and critically evaluated. In this process, the underlying physical concepts for each particular turbulence model...present and future needs in the field of flow calculations. iii) Based on the above studies, to issue guidelines for future theoretical and...experimental work and propose a number of key experiments and flow calculations cases to be conducted in the future . Since the capability of a Technical Status

  19. MEASURED AND CALCULATED LOSSES IN A MODEL DIPOLE FOR GSI'S HEAVY ION SYNCHROTRON.

    SciTech Connect

    WANDERER,P.; ANERELLA,M.; GANETIS,G.; GHOSH,A.K.; JOSHI,P.; MARONE,A.; MURATORE,J.; ET AL.

    2003-06-15

    The new heavy ion synchrotron facility proposed by GSI will have two superconducting magnet rings in the same tunnel, with rigidities of 300T{center_dot}m and 10OT{center_dot}m. Fast ramp times are needed. These can cause problems of ac loss and field distortion in the magnets. For the high energy ring, a lm model dipole magnet has been built, based on the RHIC dipole design. This magnet was tested under boiling liquid helium in a vertical dewar. The quench current showed very little dependence on ramp rate. The ac losses, measured by an electrical method, were fitted to straight line plots of loss/cycle versus ramp rate, thereby separating the eddy current and hysteresis components. These results were compared with calculated values, using parameters which had previously been measured on short samples of cable. Reasonably good agreement between theory and experiment was found, although the measured hysteresis loss is higher than expected in ramps to the highest field levels.

  20. Model calculations for three-dimensional heat conduction in a real tooth

    NASA Astrophysics Data System (ADS)

    Foth, Hans-Jochen; Luke, Manfred

    2003-06-01

    To generate the three-dimensional grid net for a real tooth, an extracted tooth was grinded in steps of some millimetres from the top to the root. After each grinding step the displayed cross section was documented by photography showing clearly all transition lines between enamel, dentin and the pulp. The photographic reprints were used to determine the x-y-z-coordinates of selected points to represent the transition lines. In a fairly large-scale procedure these points were combined to a three dimensional net. FEM calculations were carried out to solve the heat equation numerically for the boundary condition that an IR laser pulse hits the surface for laser ablation. Since all the information of the various types of tissue is included in this model, the results give a huge variety of information. For example: the outer shell of enamel could be displayed exclusively to show its inner surface and which temperature distribution as well as mechanical stress got build up there.

  1. Nuclear model calculation and targetry recipe for production of 110mIn.

    PubMed

    Kakavand, T; Mirzaii, M; Eslami, M; Karimi, A

    2015-10-01

    (110m)In is potentially an important positron emitting that can be used in positron emission tomography. In this work, the excitation functions and production yields of (110)Cd(d, 2n), (111)Cd(d, 3n), (nat)Cd(d, xn), (110)Cd(p, n), (111)Cd(p, 2n), (112)Cd(p, 3n) and (nat)Cd(p, xn) reactions to produce the (110m)In were calculated using nuclear model code TALYS and compared with the experimental data. The yield of isomeric state production of (110)In was also compared with ground state production ones to reach the optimal energy range of projectile for the high yield production of metastable state. The results indicate that the (110)Cd(p, n)(110m)In is a high yield reaction with an isomeric ratio (σ(m)/σ(g)) of about 35 within the optimal incident energy range of 15-5 MeV. To make the target, cadmium was electroplated on a copper substrate in varying electroplating conditions such as PH, DC current density, temperature and time. A set of cold tests were also performed on the final sample under several thermal shocks to verify target resistance. The best electroplated cadmium target was irradiated with 15 MeV protons at current of 100 µA for one hour and the production yield of (110m)In and other byproducts were measured.

  2. [Calculating emissions of exhaust particulate matter from motor vehicles with PART5 model].

    PubMed

    Wu, Ye; Hao, Jiming; Li, Wei; Fu, Lixin

    2002-01-30

    PART5, a vehicle particulate emission factor model developed by USEPA, was modified and then used to obtain the emission factors of exhaust PM10 and PM2.5 from on-road automobiles, trucks and motorcycles in Beijing. The total exhaust PM10 and PM2.5 emissions from motor vehicles in 1995 and 1998 were calculated separately. The contribution ratios of different types of vehicles to the total vehicular emissions, and the share of different exhaust particulate components including Pb, direct SO4(2-), soluble organic fraction (SOF) and remaining carbon portion (RCP), were also estimated. It was shown that the emission factors of exhaust PM10 and PM2.5 from gasoline motor vehicles, motorcycles and heavy-duty diesel vehicles in Beijing were 1.7-8.6 times, 2.1-3.5 times and 1.3-1.5 times, respectively, of the USA average emission levels during the same period. The total exhaust PM10 and PM2.5 from vehicles were 2445 tons and 1890 tons in 1995 in Beijing, and increased to 3359 tons and 2694 tons in 1998, which increase by 37.4% and 42.5%, respectively.

  3. Plume wash-out near a coal-fired power plant: Measurements and model calculations

    NASA Astrophysics Data System (ADS)

    Ten Brink, H. M.; Janssen, A. J.; Slanina, J.

    The contribution of plume wash-out to the wet deposition of pollutants in the vicinity of a 1000 MWe coal-fired power plant in The Netherlands has been investigated. Whereas the extra wet deposition of heavy metals, emitted in the form of fly-ash, is not of importance as compared to the background deposition, drastically increased wet deposition of Cl -, F - and especially B-compounds was observed. Little extra deposition of S compounds was found, due to the fact that increased acidity in precipitation, associated with wash-out of HCl and (to a lesser extent) HF, limits the uptake of SO 2. The results of the experiments near the 1000 MWe installation were used to test and validate a wash-out model developed to study and predict wet removal of the major pollutants from a plume. Annual wet deposition patterns of these constituents due to plume wash-out have been calculated for a more characteristic 600 MWe coal-fired power plant. Very locally, at short distances from the stack, plume washout may nearly double local acid deposition under conditions prevalent in The Netherlands. This is mainly the result of wash-out of HCl, whereas the contribution of SO 2 is negligible. Significant plume contributions to the deposition of HF, B-compounds, Al, Ti and Br may be expected. Application of desulfurization units ('scrubbers') will reduce the emission and deposition of acids.

  4. Exact calculation of the time convolutionless master equation generator: Application to the nonequilibrium resonant level model

    SciTech Connect

    Kidon, Lyran; Wilner, Eli Y.; Rabani, Eran

    2015-12-21

    The generalized quantum master equation provides a powerful tool to describe the dynamics in quantum impurity models driven away from equilibrium. Two complementary approaches, one based on Nakajima–Zwanzig–Mori time-convolution (TC) and the other on the Tokuyama–Mori time-convolutionless (TCL) formulations provide a starting point to describe the time-evolution of the reduced density matrix. A key in both approaches is to obtain the so called “memory kernel” or “generator,” going beyond second or fourth order perturbation techniques. While numerically converged techniques are available for the TC memory kernel, the canonical approach to obtain the TCL generator is based on inverting a super-operator in the full Hilbert space, which is difficult to perform and thus, nearly all applications of the TCL approach rely on a perturbative scheme of some sort. Here, the TCL generator is expressed using a reduced system propagator which can be obtained from system observables alone and requires the calculation of super-operators and their inverse in the reduced Hilbert space rather than the full one. This makes the formulation amenable to quantum impurity solvers or to diagrammatic techniques, such as the nonequilibrium Green’s function. We implement the TCL approach for the resonant level model driven away from equilibrium and compare the time scales for the decay of the generator with that of the memory kernel in the TC approach. Furthermore, the effects of temperature, source-drain bias, and gate potential on the TCL/TC generators are discussed.

  5. The photon dose calculation algorithm used in breast radiotherapy has significant impact on the parameters of radiobiological models.

    PubMed

    Petillion, Saskia; Swinnen, Ans; Defraene, Gilles; Verhoeven, Karolien; Weltens, Caroline; Van den Heuvel, Frank

    2014-07-08

    The comparison of the pencil beam dose calculation algorithm with modified Batho heterogeneity correction (PBC-MB) and the analytical anisotropic algorithm (AAA) and the mutual comparison of advanced dose calculation algorithms used in breast radiotherapy have focused on the differences between the physical dose distributions. Studies on the radiobiological impact of the algorithm (both on the tumor control and the moderate breast fibrosis prediction) are lacking. We, therefore, investigated the radiobiological impact of the dose calculation algorithm in whole breast radiotherapy. The clinical dose distributions of 30 breast cancer patients, calculated with PBC-MB, were recalculated with fixed monitor units using more advanced algorithms: AAA and Acuros XB. For the latter, both dose reporting modes were used (i.e., dose-to-medium and dose-to-water). Next, the tumor control probability (TCP) and the normal tissue complication probability (NTCP) of each dose distribution were calculated with the Poisson model and with the relative seriality model, respectively. The endpoint for the NTCP calculation was moderate breast fibrosis five years post treatment. The differences were checked for significance with the paired t-test. The more advanced algorithms predicted a significantly lower TCP and NTCP of moderate breast fibrosis then found during the corresponding clinical follow-up study based on PBC calculations. The differences varied between 1% and 2.1% for the TCP and between 2.9% and 5.5% for the NTCP of moderate breast fibrosis. The significant differences were eliminated by determination of algorithm-specific model parameters using least square fitting. Application of the new parameters on a second group of 30 breast cancer patients proved their appropriateness. In this study, we assessed the impact of the dose calculation algorithms used in whole breast radiotherapy on the parameters of the radiobiological models. The radiobiological impact was eliminated by

  6. Dose calculation for hypofractionated volumetric-modulated arc therapy: approximating continuous arc delivery and tongue-and-groove modeling.

    PubMed

    Yang, Jie; Tang, Grace; Zhang, Pengpeng; Hunt, Margie; Lim, Seng B; LoSasso, Thomas; Mageras, Gig

    2016-03-01

    Hypofractionated treatments generally increase the complexity of a treatment plan due to the more stringent constraints of normal tissues and target coverage. As a result, treatment plans contain more modulated MLC motions that may require extra efforts for accurate dose calculation. This study explores methods to minimize the differences between in-house dose calculation and actual delivery of hypofractionated volumetric-modulated arc therapy (VMAT), by focusing on arc approximation and tongue-and-groove (TG) modeling. For dose calculation, the continuous delivery arc is typically approximated by a series of static beams with an angular spacing of 2°. This causes significant error when there is large MLC movement from one beam to the next. While increasing the number of beams will minimize the dose error, calculation time will increase significantly. We propose a solution by inserting two additional apertures at each of the beam angle for dose calculation. These additional apertures were interpolated at two-thirds' degree before and after each beam. Effectively, there were a total of three MLC apertures at each beam angle, and the weighted average fluence from the three apertures was used for calculation. Because the number of beams was kept the same, calculation time was only increased by about 6%-8%. For a lung plan, areas of high local dose differences (>4%) between film measurement and calculation with one aperture were significantly reduced in calculation with three apertures. Ion chamber measurement also showed similar results, where improvements were seen with calculations using additional apertures. Dose calculation accuracy was further improved for TG modeling by developing a sampling method for beam fluence matrix. Single element point sampling for fluence transmitted through MLC was used for our fluence matrix with 1 mm resolution. For Varian HDMLC, grid alignment can cause fluence sampling error. To correct this, transmission volume averaging was

  7. Dose calculation for hypofractionated volumetric-modulated arc therapy: approximating continuous arc delivery and tongue-and-groove modeling.

    PubMed

    Yang, Jie; Tang, Grace; Zhang, Pengpeng; Hunt, Margie; Lim, Seng B; LoSasso, Thomas; Mageras, Gig

    2016-03-08

    Hypofractionated treatments generally increase the complexity of a treatment plan due to the more stringent constraints of normal tissues and target coverage. As a result, treatment plans contain more modulated MLC motions that may require extra efforts for accurate dose calculation. This study explores methods to minimize the differences between in-house dose calculation and actual delivery of hypofractionated volumetric-modulated arc therapy (VMAT), by focusing on arc approximation and tongue-and-groove (TG) modeling. For dose calculation, the continuous delivery arc is typically approximated by a series of static beams with an angular spacing of 2°. This causes significant error when there is large MLC movement from one beam to the next. While increasing the number of beams will minimize the dose error, calculation time will increase significantly. We propose a solution by inserting two additional apertures at each of the beam angle for dose calculation. These additional apertures were interpolated at two-thirds' degree before and after each beam. Effectively, there were a total of three MLC apertures at each beam angle, and the weighted average fluence from the three apertures was used for calculation. Because the number of beams was kept the same, calculation time was only increased by about 6%-8%. For a lung plan, areas of high local dose differences (> 4%) between film measurement and calculation with one aperture were significantly reduced in calculation with three apertures. Ion chamber measurement also showed similar results, where improvements were seen with calculations using additional apertures. Dose calculation accuracy was further improved for TG modeling by developing a sampling method for beam fluence matrix. Single element point sampling for fluence transmitted through MLC was used for our fluence matrix with 1 mm resolution. For Varian HDMLC, grid alignment can cause fluence sampling error. To correct this, transmission volume averaging was

  8. CUTSETS - MINIMAL CUT SET CALCULATION FOR DIGRAPH AND FAULT TREE RELIABILITY MODELS

    NASA Technical Reports Server (NTRS)

    Iverson, D. L.

    1994-01-01

    Fault tree and digraph models are frequently used for system failure analysis. Both type of models represent a failure space view of the system using AND and OR nodes in a directed graph structure. Fault trees must have a tree structure and do not allow cycles or loops in the graph. Digraphs allow any pattern of interconnection between loops in the graphs. A common operation performed on digraph and fault tree models is the calculation of minimal cut sets. A cut set is a set of basic failures that could cause a given target failure event to occur. A minimal cut set for a target event node in a fault tree or digraph is any cut set for the node with the property that if any one of the failures in the set is removed, the occurrence of the other failures in the set will not cause the target failure event. CUTSETS will identify all the minimal cut sets for a given node. The CUTSETS package contains programs that solve for minimal cut sets of fault trees and digraphs using object-oriented programming techniques. These cut set codes can be used to solve graph models for reliability analysis and identify potential single point failures in a modeled system. The fault tree minimal cut set code reads in a fault tree model input file with each node listed in a text format. In the input file the user specifies a top node of the fault tree and a maximum cut set size to be calculated. CUTSETS will find minimal sets of basic events which would cause the failure at the output of a given fault tree gate. The program can find all the minimal cut sets of a node, or minimal cut sets up to a specified size. The algorithm performs a recursive top down parse of the fault tree, starting at the specified top node, and combines the cut sets of each child node into sets of basic event failures that would cause the failure event at the output of that gate. Minimal cut set solutions can be found for all nodes in the fault tree or just for the top node. The digraph cut set code uses the same

  9. Insights into the ultraviolet spectrum of liquid water from model calculations.

    PubMed

    Cabral do Couto, Paulo; Chipman, Daniel M

    2010-06-28

    With a view toward a better molecular level understanding of the effects of hydrogen bonding on the ultraviolet absorption spectrum of liquid water, benchmark electronic structure calculations using high level wave function based methods and systematically enlarged basis sets are reported for excitation energies and oscillator strengths of valence excited states in the equilibrium water monomer and dimer and in a selection of liquid-like dimer structures. Analysis of the electron density redistribution associated with the two lowest valence excitations of the water dimer shows that these are usually localized on one or the other monomer, although valence hole delocalization can occur for certain relative orientations of the water molecules. The lowest excited state is mostly associated with the hydrogen bond donor and the significantly higher energy second excited state mostly with the acceptor. The magnitude of the lowest excitation energies is strongly dependent on where the valence hole is created, and only to a lesser degree on the perturbation of the excited electron density distribution by the neighboring water molecule. These results suggest that the lowest excitation energies in clusters and liquid water can be associated with broken acceptor hydrogen bonds, which provide energetically favorable locations for the formation of a valence hole. Higher valence excited states of the dimer typically involve delocalization of the valence hole and/or delocalization of the excited electron and/or charge transfer. Two of the higher valence excited states that involve delocalized valence holes always have particularly large oscillator strengths. Due to the pervasive delocalization and charge transfer, it is suggested that most condensed phase water valence excitations intimately involve more than one water molecule and, as a consequence, will not be adequately described by models based on perturbation of free water monomer states. The benchmark calculations are

  10. MAP3S/RAINE modeling abstracts, 1980. [Concise descriptions of models and availability for calculation of airborne concentration of sulfur dioxide and sulfate

    SciTech Connect

    Michael, P.

    1980-07-01

    The MultiState Atmospheric Power Production Pollution Study (MAP3S) has produced as a primary research output a number of numerical models for the calculation of airborne concentrations of sulfur dioxide and sulfate resulting from anthropogenic sources. Concise descriptions of these models, and of related modeling developments, are collected in this report. For each model, or model component, there is included a listing of the authors, a summary of what it is the model calculates and the method used, a list of references, and a statement of availability.

  11. 40 CFR 600.207-86 - Calculation of fuel economy values for a model type.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 30 2011-07-01 2011-07-01 false Calculation of fuel economy values for... AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Procedures for Calculating Fuel Economy and Carbon-Related Exhaust Emission Values for 1977 and Later...

  12. 40 CFR 600.207-93 - Calculation of fuel economy values for a model type.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 30 2011-07-01 2011-07-01 false Calculation of fuel economy values for... AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Procedures for Calculating Fuel Economy and Carbon-Related Exhaust Emission Values for 1977 and Later...

  13. Fast calculation with point-based method to make CGHs of the polygon model

    NASA Astrophysics Data System (ADS)

    Ogihara, Yuki; Ichikawa, Tsubasa; Sakamoto, Yuji

    2014-02-01

    Holography is one of the three-dimensional technology. Light waves from an object are recorded and reconstructed by using a hologram. Computer generated holograms (CGHs), which are made by simulating light propagation using a computer, are able to represent virtual object. However, an enormous amount of computation time is required to make CGHs. There are two primary methods of calculating CGHs: the polygon-based method and the point-based method. In the polygon-based method with Fourier transforms, CGHs are calculated using a fast Fourier transform (FFT). The calculation of complex objects composed of multiple polygons requires as many FFTs, so unfortunately the calculation time become enormous. In contrast, in the point-based method, it is easy to express complex objects, an enormous calculation time is still required. Graphics processing units (GPUs) have been used to speed up the calculations of point-based method. Because a GPU is specialized for parallel computation and CGH calculation can be calculated independently for each pixel. However, expressing a planar object by the point-based method requires a signi cant increase in the density of points and consequently in the number of point light sources. In this paper, we propose a fast calculation algorithm to express planar objects by the point-based method with a GPU. The proposed method accelerate calculation by obtaining the distance between a pixel and the point light source from the adjacent point light source by a difference method. Under certain speci ed conditions, the difference between adjacent object points becomes constant, so the distance is obtained by only an additions. Experimental results showed that the proposed method is more effective than the polygon-based method with FFT when the number of polygons composing an objects are high.

  14. Three dimensional model calculations of the global dispersion of high speed aircraft exhaust and implications for stratospheric ozone loss

    NASA Technical Reports Server (NTRS)

    Douglass, Anne R.; Rood, Richard B.; Jackman, Charles H.; Weaver, Clark J.

    1994-01-01

    Two-dimensional (zonally averaged) photochemical models are commonly used for calculations of ozone changes due to various perturbations. These include calculating the ozone change expected as a result of change in the lower stratospheric composition due to the exhaust of a fleet of supersonic aircraft flying in the lower stratosphere. However, zonal asymmetries are anticipated to be important to this sort of calculation. The aircraft are expected to be restricted from flying over land at supersonic speed due to sonic booms, thus the pollutant source will not be zonally symmetric. There is loss of pollutant through stratosphere/troposphere exchange, but these processes are spatially and temporally inhomogeneous. Asymmetry in the pollutant distribution contributes to the uncertainty in the ozone changes calculated with two dimensional models. Pollutant distributions for integrations of at least 1 year of continuous pollutant emissions along flight corridors are calculated using a three dimensional chemistry and transport model. These distributions indicate the importance of asymmetry in the pollutant distributions to evaluation of the impact of stratospheric aircraft on ozone. The implications of such pollutant asymmetries to assessment calculations are discussed, considering both homogeneous and heterogeneous reactions.

  15. Ray Calculations of Ocean Sound Channels Using a Pocket Programmable Calculator and Extended Forms of the Hirsch-Carter Mathematical Model with Tables of the Incomplete Beta Function.

    DTIC Science & Technology

    1978-10-01

    pocket programmable calculator on two Sargasso Sea profiles, one from the center of a cold ring eddy are given. Necessary tables of the incomplete beta-function and calculator programs are included in a supplement.

  16. Calculating Path-Dependent Travel Time Prediction Variance and Covariance for a Global Tomographic P-Velocity Model

    DTIC Science & Technology

    2011-09-01

    LLNL-3D global P-wave velocity model and its performance in seismic event location, presentation at the 2011 Seismological Society of America Meeting...CALCULATING PATH-DEPENDENT TRAVEL TIME PREDICTION VARIANCE AND COVARIANCE FOR A GLOBAL TOMOGRAPHIC P-VELOCITY MODEL Jim R. Hipp1, Andre V...06NA25396/LA09-IRP-NDD022 ABSTRACT Several studies have shown that global 3D models of the compression wave speed in the Earth’s mantle can

  17. A Comparison of the AFGL Flash, Draper Dart and AWS Haze Models with the Rand Wetta Model for Calculating Atmospheric Contrast Reduction.

    DTIC Science & Technology

    1982-03-01

    AD-AI1S 425 AIR FORCE ENVIRON0ENTAL TECHNICAL APPLICATIONS CENTER--ETC F/G 4/2 A COMPARISON OF THE AFOL FLASH, DRAPER DART AND AWS HAZE MODELS--ETC(U...COMPARISON OF THE AFGL FLASH, DRAPER DART AND AWS HAZE MODELS WITH THE RAND WETTA MODEL FOR CALCULATING ATMOSPHERIC CONTRAST REDUCTION BY1 DR. PATRICK J...AFOL FLASH, DRAPER DART AND AWS HAE MODELS WITH THE RAND WETTA MODEL FOR CALCULATING ATMOIPlURIC CONTRAST REDUCTION, March 1982, is approved for public

  18. Higher Order Model Power Calculation of the 56 MHz SRF Cavity

    SciTech Connect

    Choi,E.

    2008-08-01

    In this report, the HOM power dissipated to the load in the 56 MHz RF cavity is calculated. The HOM frequencies and Q factors with the inserted HOM damper are obtained from the simulations by MWS and SLAC codes.

  19. Comparison of I-131 radioimmunotherapy tumor dosimetry: unit density sphere model versus patient-specific Monte Carlo calculations.

    PubMed

    Howard, David M; Kearfott, Kimberlee J; Wilderman, Scott J; Dewaraja, Yuni K

    2011-10-01

    High computational requirements restrict the use of Monte Carlo algorithms for dose estimation in a clinical setting, despite the fact that they are considered more accurate than traditional methods. The goal of this study was to compare mean tumor absorbed dose estimates using the unit density sphere model incorporated in OLINDA with previously reported dose estimates from Monte Carlo simulations using the dose planning method (DPMMC) particle transport algorithm. The dataset (57 tumors, 19 lymphoma patients who underwent SPECT/CT imaging during I-131 radioimmunotherapy) included tumors of varying size, shape, and contrast. OLINDA calculations were first carried out using the baseline tumor volume and residence time from SPECT/CT imaging during 6 days post-tracer and 8 days post-therapy. Next, the OLINDA calculation was split over multiple time periods and summed to get the total dose, which accounted for the changes in tumor size. Results from the second calculation were compared with results determined by coupling SPECT/CT images with DPM Monte Carlo algorithms. Results from the OLINDA calculation accounting for changes in tumor size were almost always higher (median 22%, range -1%-68%) than the results from OLINDA using the baseline tumor volume because of tumor shrinkage. There was good agreement (median -5%, range -13%-2%) between the OLINDA results and the self-dose component from Monte Carlo calculations, indicating that tumor shape effects are a minor source of error when using the sphere model. However, because the sphere model ignores cross-irradiation, the OLINDA calculation significantly underestimated (median 14%, range 2%-31%) the total tumor absorbed dose compared with Monte Carlo. These results show that when the quantity of interest is the mean tumor absorbed dose, the unit density sphere model is a practical alternative to Monte Carlo for some applications. For applications requiring higher accuracy, computer-intensive Monte Carlo calculation is

  20. [The model of geometrical human body phantom for calculating tissue doses in the service module of the International Space Station].

    PubMed

    Bondarenko, V A; Mitrikas, V G

    2007-01-01

    The model of a geometrical human body phantom developed for calculating the shielding functions of representative points of the body organs and systems is similar to the anthropomorphic phantom. This form of phantom can be integrated with the shielding model of the ISS Russian orbital segment to make analysis of radiation loading of crewmembers in different compartments of the vehicle. Calculation of doses absorbed by the body systems in terms of the representative points makes it clear that doses essentially depend on the phantom spatial orientation (eye direction). It also enables the absorbed dose evaluation from the shielding functions as the mean of the representative points and phantom orientation.

  1. Nightside plasmapause positions observed by DE-1 as a function of geomagnetic indices - Comparison with whistler observations and model calculations

    NASA Technical Reports Server (NTRS)

    Decreau, P. M. E.; Lemaire, J.; Chappell, C. R.; Waite, J. H., Jr.

    1986-01-01

    The paper analyzes 28 plasmapause crossings made by the DE1 satellite in the night local time sector (from January to March 1982). Different signatures obtained by the Retarding Ion Mass Spectrometer instrument have been used for this analysis. The observed plasmapause positions (Lpp) have been organized as a function of geomagnetic indices. They are compared with the empirical relationship deduced by Carpenter and Parks (1973) from whistler observations. Moreover, the dependence of Lpp versus Kp has been inferred from model calculations using Kp dependent electric and magnetic fields derived from McIlwain's (1974) E3H electric field model and M2 magnetic field model respectively. Stationary models as well as time dependent ones, have been used to determine the positions of the plasmapause. The results of the model calculations are compared to the observations.

  2. Influence of channel base current and varying return stroke speed on the calculated fields of three important return stroke models

    NASA Technical Reports Server (NTRS)

    Thottappillil, Rajeev; Uman, Martin A.; Diendorfer, Gerhard

    1991-01-01

    Compared here are the calculated fields of the Traveling Current Source (TCS), Modified Transmission Line (MTL), and the Diendorfer-Uman (DU) models with a channel base current assumed in Nucci et al. on the one hand and with the channel base current assumed in Diendorfer and Uman on the other hand. The characteristics of the field wave shapes are shown to be very sensitive to the channel base current, especially the field zero crossing at 100 km for the TCS and DU models, and the magnetic hump after the initial peak at close range for the TCS models. Also, the DU model is theoretically extended to include any arbitrarily varying return stroke speed with height. A brief discussion is presented on the effects of an exponentially decreasing speed with height on the calculated fields for the TCS, MTL, and DU models.

  3. Validation of a simple analytical model for in-air outputfactor calculation for SL-15 Philips-Elekta linear accelerator.

    PubMed

    Ali, Maha A; Emam, Ismail

    A simple aralytical approach to model extrafocal radiation (EFR) and monitor chamber backscatter (MBS)-and consequently collimator scattar factor-is investigated. The model has been applied to 6 and 10 MV photon beams produced by a Philips-Elekta SL-15 medical linear accelerator. Both EFR and MBS are determined simultaneously using conventional measured data at the isocenter and the calculated in-air output factors (S(c)) were in good agreement with the measured values. When the square field size changes from 4x4 to 40x40 cm(2), the total intensities of EFR were 17.6% and 13%, while the MBS contributions to S(c) were 0.1% and 0.2% for 6 and 10 mv, respectively. The model was also used to calculate S(c) for symmetric or asymmetric rectangular jaws-defined fields with an accuracy of less than 0.2% at extended or shortened source detector distances Moreover, the model was verified for both very small field sizes (2x2 cm(2) down to 0.6x0.6 cm(2)) and for field sizes defined by micro multi-leaf collimator to check its applicability for stereotactic radiotherapy dose calculations. A simple programme is designed to facilitate the calculation process of S(c) for a medical linear accelerator at different situations either for commissioning or verification of the model at different energies.

  4. Numerical calculation of the radiation exposure from galactic cosmic rays at aviation altitudes with the PANDOCA core model

    NASA Astrophysics Data System (ADS)

    Matthiä, Daniel; Meier, Matthias M.; Reitz, Günther

    2014-03-01

    The increased radiation exposure at aviation altitudes is of public interest as well as of legal relevance in many countries. The dose rates that are elevated compared to sea level are mainly caused by galactic cosmic ray particles interacting with the atmosphere and producing a complex radiation field at aviation altitudes. The intensity and composition of this radiation field mainly depend on altitude, geomagnetic shielding, and primary particle intensity. In this work, we present a model based on Monte Carlo simulations, which retrospectively estimates secondary particle fluence as well as ambient dose equivalent rates and effective dose rates at any point in the atmosphere. This model will be used as the physical core in the Professional Aviation Dose Calculator (PANDOCA) software developed by the German Aerospace Center (Deutsches Zentrum für Luft- und Raumfahrt) for the calculation of route doses in aviation. The calculations are based on galactic cosmic ray spectra taking into account primary nuclei from hydrogen to iron by direct transport calculations of hydrogen and helium nuclei and approximating heavier nuclei by the number of protons equaling the corresponding atomic number. A comparison to experimental data recorded on several flights with a tissue equivalent proportional counter shows a very good agreement between model calculations and measurements.

  5. Arsenic removal from groundwater by household sand filters: comparative field study, model calculations, and health benefits.

    PubMed

    Berg, Michael; Luzi, Samuel; Trang, Pham Thi Kim; Viet, Pham Hung; Giger, Walter; Stüben, Doris

    2006-09-01

    Arsenic removal efficiencies of 43 household sand filters were studied in rural areas of the Red River Delta in Vietnam. Simultaneously, raw groundwater from the same households and additional 31 tubewells was sampled to investigate arsenic coprecipitation with hydrous ferric iron from solution, i.e., without contact to sand surfaces. From the groundwaters containing 10-382 microg/L As, < 0.1-48 mg/L Fe, < 0.01-3.7 mg/L P, and 0.05-3.3 mg/L Mn, similar average removal rates of 80% and 76% were found for the sand filter and coprecipitation experiments, respectively. The filtering process requires only a few minutes. Removal efficiencies of Fe, phosphate, and Mn were > 99%, 90%, and 71%, respectively. The concentration of dissolved iron in groundwater was the decisive factor for the removal of arsenic. Residual arsenic levels below 50 microg/L were achieved by 90% of the studied sand filters, and 40% were even below 10 microg/L. Fe/As ratios of > or = 50 or > or = 250 were required to ensure arsenic removal to levels below 50 or 10 microg/L, respectively. Phosphate concentrations > 2.5 mg P/L slightly hampered the sand filter and coprecipitation efficiencies. Interestingly, the overall arsenic elimination was higher than predicted from model calculations based on sorption constants determined from coprecipitation experiments with artificial groundwater. This observation is assumed to result from As(lll) oxidation involving Mn, microorganisms, and possibly dissolved organic matter present in the natural groundwaters. Clear evidence of lowered arsenic burden for people consuming sand-filtered water is demonstrated from hair analyses. The investigated sand filters proved to operate fast and robust for a broad range of groundwater composition and are thus also a viable option for mitigation in other arsenic affected regions. An estimation conducted for Bangladesh indicates that a median residual level of 25 microg/L arsenic could be reached in 84% of the polluted

  6. Calculation of water-bearing primary basalt and estimation of source mantle conditions beneath arcs: PRIMACALC2 model for WINDOWS

    NASA Astrophysics Data System (ADS)

    Kimura, Jun-Ichi; Ariskin, Alexey A.

    2014-04-01

    present a new method for estimating the composition of water-bearing primary arc basalt and its source mantle conditions. The PRIMACALC2 model uses a thermodynamic fractional crystallization model COMAGMAT3.72 and runs with an Excel macro to examine the mantle equilibrium and trace element calculations of a primary basalt. COMAGMAT3.72 calculates magma fractionation in 0-10 kb at various compositions, pressure, oxygen fugacity, and water content, but is only applicable for forward calculations. PRIMACALC2 first calculates the provisional composition of a primary basalt from an observed magma. The basalt composition is then calculated by COMAGMAT3.72 for crystallization. Differences in elemental concentrations between observed and the closest-match calculated magmas are then adjusted in the primary basalt. Further iteration continues until the calculated magma composition converges with the observed magma, resulting in the primary basalt composition. Once the fitting is satisfied, back calculations of trace elements are made using stepwise addition of fractionated minerals. Mantle equilibrium of the primary basalt is tested using the Fo-NiO relationship of olivine in equilibrium with the primary basalt, and thus with the source mantle. Source mantle pressure, temperature, and degree of melting are estimated using petrogenetic grids based on experimental data obtained in anhydrous systems. Mantle melting temperature in a hydrous system is computed by adjusting T with a parameterization for a water-bearing system. PRIMACALC2 can be used either in dry or water-bearing arc magmas and is also applicable to mid-ocean ridge basalts and nonalkalic ocean island basalts.

  7. Incorporation of measured photosynthetic rate in a mathematical model for calculation of non-structural saccharide concentration

    NASA Technical Reports Server (NTRS)

    Lim, J. T.; Raper, C. D. Jr; Gold, H. J.; Wilkerson, G. G.; Raper CD, J. r. (Principal Investigator)

    1989-01-01

    A simple mathematical model for calculating the concentration of mobile carbon skeletons in the shoot of soya bean plants [Glycine max (L.) Merrill cv. Ransom] was built to examine the suitability of measured net photosynthetic rates (PN) for calculation of saccharide flux into the plant. The results suggest that either measurement of instantaneous PN overestimated saccharide influx or respiration rates utilized in the model were underestimated. If neither of these is the case, end-product inhibition of photosynthesis or waste respiration through the alternative pathway should be included in modelling of CH2O influx or efflux; and even if either of these is the case, the model output at a low coefficient of leaf activity indicates that PN still may be controlled by either end-product inhibition or alternative respiration.

  8. Incorporation of measured photosynthetic rate in a mathematical model for calculation of non-structural saccharide concentration.

    PubMed

    Lim, J T; Raper, C D; Gold, H J; Wilkerson, G G

    1989-01-01

    A simple mathematical model for calculating the concentration of mobile carbon skeletons in the shoot of soya bean plants [Glycine max (L.) Merrill cv. Ransom] was built to examine the suitability of measured net photosynthetic rates (PN) for calculation of saccharide flux into the plant. The results suggest that either measurement of instantaneous PN overestimated saccharide influx or respiration rates utilized in the model were underestimated. If neither of these is the case, end-product inhibition of photosynthesis or waste respiration through the alternative pathway should be included in modelling of CH2O influx or efflux; and even if either of these is the case, the model output at a low coefficient of leaf activity indicates that PN still may be controlled by either end-product inhibition or alternative respiration.

  9. A Poisson equation formulation for pressure calculations in penalty finite element models for viscous incompressible flows

    NASA Technical Reports Server (NTRS)

    Sohn, J. L.; Heinrich, J. C.

    1990-01-01

    The calculation of pressures when the penalty-function approximation is used in finite-element solutions of laminar incompressible flows is addressed. A Poisson equation for the pressure is formulated that involves third derivatives of the velocity field. The second derivatives appearing in the weak formulation of the Poisson equation are calculated from the C0 velocity approximation using a least-squares method. The present scheme is shown to be efficient, free of spurious oscillations, and accurate. Examples of applications are given and compared with results obtained using mixed formulations.

  10. Modeling reaction pathways of low energy particle deposition on thiophene via ab initio calculations

    NASA Astrophysics Data System (ADS)

    Crenshaw, Jasmine D.; Phillpot, Simon R.; Iordanova, Nedialka; Sinnott, Susan B.

    2011-07-01

    Chemical reactions of thiophene with organic molecules are of interest to modify thermally deposited coatings of conductive polymers. Here, energy barriers for reactions involving thiophene and small hydrocarbon radicals are identified. Enthalpies of formation involving reactants are also calculated using the B3LYP, BMK, and B98 hybrid functionals within the G AUSSIAN03 program. Experimental values, G3, and CBS-QB3 calculations are used as standards, due to their accurate thermochemistry parameters. The BMK functional is found to perform best for the selected organic molecules. These results provide insights into the reactivity of several polymerization and deposition processes.

  11. 40 CFR 600.209-08 - Calculation of vehicle-specific 5-cycle fuel economy values for a model type.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-cycle fuel economy values for a model type. 600.209-08 Section 600.209-08 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND GREENHOUSE GAS EXHAUST EMISSIONS OF MOTOR VEHICLES Procedures for Calculating Fuel Economy and Carbon-Related Exhaust Emission Values §...

  12. 40 CFR 600.209-08 - Calculation of vehicle-specific 5-cycle fuel economy values for a model type.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-cycle fuel economy values for a model type. 600.209-08 Section 600.209-08 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND GREENHOUSE GAS EXHAUST EMISSIONS OF MOTOR VEHICLES Procedures for Calculating Fuel Economy and Carbon-Related Exhaust Emission Values §...

  13. 40 CFR 600.209-08 - Calculation of vehicle-specific 5-cycle fuel economy values for a model type.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-cycle fuel economy values for a model type. 600.209-08 Section 600.209-08 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Procedures for Calculating Fuel Economy and Carbon-Related Exhaust Emission Values...

  14. The suitability of Sanders' model for calculation of the propulsive force generated by the hands during sculling motion.

    PubMed

    Gomes, Lara Elena; Boeira, Lucas; Loss, Jefferson Fagundes

    2017-05-01

    This study examined whether Sanders' model is suitable for estimating accurately the propulsive force generated by the hands' motion in swimming comparing the calculated force obtained using the model and the measured force during an actual propulsive action. The measured and calculated forces were obtained from 13 swimmers who, while tethered, performed a sculling motion in a prone position for the purpose of displacing the body by moving it forward. Kinematic analyses were conducted to obtain the calculated force, while the measured force was obtained via the use of a load cell. The calculated force was lower than the measured force and accounted for only a small part of the variation in the measured force. The forces could not be used interchangeably, and there were fixed and proportional differences between them. Consequently, this study indicates that Sanders' model is not suitable for estimating accurately the propulsive force generated by the swimmer's hands during sculling motion. However, research that integrates analyses from different approaches could result in improvements to the model that would render it applicable for estimating the propulsive forces during movements that are characterised by directional changes of the hands.

  15. Soil heat flux calculation for sunlit and shaded surfaces under row crops: 1 - Model Development and sensitivity analysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Soil heat flux at the surface (G0) is strongly influenced by whether the soil is shaded or sunlit, and therefore can have large spatial variability for incomplete vegetation cover, such as across the interrows of row crops. Most practical soil-plant-atmosphere energy balance models calculate G0 as a...

  16. A Comparison of Teacher Effectiveness Measures Calculated Using Three Multilevel Models for Raters Effects

    ERIC Educational Resources Information Center

    Murphy, Daniel L.; Beretvas, S. Natasha

    2015-01-01

    This study examines the use of cross-classified random effects models (CCrem) and cross-classified multiple membership random effects models (CCMMrem) to model rater bias and estimate teacher effectiveness. Effect estimates are compared using CTT versus item response theory (IRT) scaling methods and three models (i.e., conventional multilevel…

  17. Soil heat flux calculation for sunlit and shaded surfaces under row crops: 2. Model Test

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A method to calculate surface soil heat flux (G0) as a function of net radiation to the soil (RN,S) was developed that accounts for positional variability across a row crop interrow. The method divides the interrow into separate sections, which may be shaded, partially sunlit, or fully sunlit, and c...

  18. Filling in the Gaps: Modelling Incomplete CBL Data Using a Graphing Calculator.

    ERIC Educational Resources Information Center

    Swingle, David A.; Pachnowski, Lynne M.

    2003-01-01

    Discusses a real-world problem-solving lesson that emerged when a high school math teacher used a motion detector with a CBL and graphing calculator to obtain the bounce data of a ping-pong ball. Describes the lesson in which students collect bad data then fill in the missing parabolas that result using critical components of parabolas and…

  19. Detailed Comparison of Observed Dose-Time Profile of October 19-20, 1989 SPE on Mir with Model Calculations

    NASA Technical Reports Server (NTRS)

    Badhwar, Gautam D.; Atwell, William

    1999-01-01

    The dose rate dynamics of the October 19-20,1989 solar energetic particle (SPE) event as observed by the Liulin instrument onboard the Mir orbital station was analyzed in light of new calculations of the geomagnetic cutoff and improved estimates of the less than 100 MeV energy spectra from the GOES satellite instrument. The new calculations were performed using the as-flown Mir orbital trajectory and includes time variations of the cutoff rigidity due to changes in the kappa (sub p) index. Although the agreement of total event integrated calculated dose to the measured dose is good, it results from some measured dose-time profile been higher and some lower than model calculations. They point to the need to include the diurnal variation of the geomagnetic cutoff and modifications of the cutoffs to variations in kappa (sub p) in model calculations. Understanding of such events in light of the upcoming construction of the International Space Station during the period of maximum solar activity needs to be vigorously pursued.

  20. Application of a prospective model for calculating worker exposure due to the air pathway for operations in a laboratory.

    PubMed

    Grimbergen, T W M; Wiegman, M M

    2007-01-01

    In order to arrive at recommendations for guidelines on maximum allowable quantities of radioactive material in laboratories, a proposed mathematical model was used for the calculation of transfer fractions for the air pathway. A set of incident scenarios was defined, including spilling, leakage and failure of the fume hood. For these 'common incidents', dose constraints of 1 mSv and 0.1 mSv are proposed in case the operations are being performed in a controlled area and supervised area, respectively. In addition, a dose constraint of 1 microSv is proposed for each operation under regular working conditions. Combining these dose constraints and the transfer fractions calculated with the proposed model, maximum allowable quantities were calculated for different laboratory operations and situations. Provided that the calculated transfer fractions can be experimentally validated and the dose constraints are acceptable, it can be concluded from the results that the dose constraint for incidents is the most restrictive one. For non-volatile materials this approach leads to quantities much larger than commonly accepted. In those cases, the results of the calculations in this study suggest that limitation of the quantity of radioactive material, which can be handled safely, should be based on other considerations than the inhalation risks. Examples of such considerations might be the level of external exposure, uncontrolled spread of radioactive material by surface contamination, emissions in the environment and severe accidents like fire.

  1. MineSeis -- A MATLAB GUI program to calculate synthetic seismograms from a linear, multi-shot blast source model

    SciTech Connect

    Yang, X.

    1998-12-31

    Modeling ground motions from multi-shot, delay-fired mining blasts is important to the understanding of their source characteristics such as spectrum modulation. MineSeis is a MATLAB{reg_sign} (a computer language) Graphical User Interface (GUI) program developed for the effective modeling of these multi-shot mining explosions. The program provides a convenient and interactive tool for modeling studies. Multi-shot, delay-fired mining blasts are modeled as the time-delayed linear superposition of identical single shot sources in the program. These single shots are in turn modeled as the combination of an isotropic explosion source and a spall source. Mueller and Murphy`s (1971) model for underground nuclear explosions is used as the explosion source model. A modification of Anandakrishnan et al.`s (1997) spall model is developed as the spall source model. Delays both due to the delay-firing and due to the single-shot location differences are taken into account in calculating the time delays of the superposition. Both synthetic and observed single-shot seismograms can be used to construct the superpositions. The program uses MATLAB GUI for input and output to facilitate user interaction with the program. With user provided source and path parameters, the program calculates and displays the source time functions, the single shot synthetic seismograms and the superimposed synthetic seismograms. In addition, the program provides tools so that the user can manipulate the results, such as filtering, zooming and creating hard copies.

  2. Lift calculations based on accepted wake models for animal flight are inconsistent and sensitive to vortex dynamics.

    PubMed

    Gutierrez, Eric; Quinn, Daniel B; Chin, Diana D; Lentink, David

    2016-12-06

    There are three common methods for calculating the lift generated by a flying animal based on the measured airflow in the wake. However, these methods might not be accurate according to computational and robot-based studies of flapping wings. Here we test this hypothesis for the first time for a slowly flying Pacific parrotlet in still air using stereo particle image velocimetry recorded at 1000 Hz. The bird was trained to fly between two perches through a laser sheet wearing laser safety goggles. We found that the wingtip vortices generated during mid-downstroke advected down and broke up quickly, contradicting the frozen turbulence hypothesis typically assumed in animal flight experiments. The quasi-steady lift at mid-downstroke was estimated based on the velocity field by applying the widely used Kutta-Joukowski theorem, vortex ring model, and actuator disk model. The calculated lift was found to be sensitive to the applied model and its different parameters, including vortex span and distance between the bird and laser sheet-rendering these three accepted ways of calculating weight support inconsistent. The three models predict different aerodynamic force values mid-downstroke compared to independent direct measurements with an aerodynamic force platform that we had available for the same species flying over a similar distance. Whereas the lift predictions of the Kutta-Joukowski theorem and the vortex ring model stayed relatively constant despite vortex breakdown, their values were too low. In contrast, the actuator disk model predicted lift reasonably accurately before vortex breakdown, but predicted almost no lift during and after vortex breakdown. Some of these limitations might be better understood, and partially reconciled, if future animal flight studies report lift calculations based on all three quasi-steady lift models instead. This would also enable much needed meta studies of animal flight to derive bioinspired design principles for quasi-steady lift

  3. Toward Accurate Modelling of Enzymatic Reactions: All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase

    NASA Astrophysics Data System (ADS)

    Ishida, Toyokazu

    2008-09-01

    To further understand the catalytic role of the protein environment in the enzymatic process, the author has analyzed the reaction mechanism of the Claisen rearrangement of Bacillus subtilis chorismate mutase (BsCM). By introducing a new computational strategy that combines all-electron QM calculations with ab initio QM/MM modelings, it was possible to simulate the molecular interactions between the substrate and the protein environment. The electrostatic nature of the transition state stabilization was characterized by performing all-electron QM calculations based on the fragment molecular orbital technique for the entire enzyme.

  4. Modeling and spectral simulation of matrix-isolated molecules by density functional calculations: A case study on formic acid dimer

    NASA Astrophysics Data System (ADS)

    Ito, Fumiyuki

    2010-12-01

    The supermolecule approach has been used to model molecules embedded in solid argon matrix, wherein interaction between the guest and the host atoms in the first solvation shell is evaluated with the use of density functional calculations. Structural stability and simulated spectra have been obtained for formic acid dimer (FAD)-Arn (n = 21-26) clusters. The calculations at the B971/6-31++G(3df,3pd) level have shown that the tetrasubstitutional site on Ar(111) plane is likely to incorporate FAD most stably, in view of consistency with the matrix shifts available experimentally.

  5. Near-LTE linear response calculations with a collisional-radiative model for He-like Al ions. Revision 1

    SciTech Connect

    More, R.; Kato, T.

    1998-04-06

    We investigate non-equilibrium atomic kinetics using a collisional- radiative model modified to include line absorption. Steady-state emission is calculated for He-like aluminum immersed in a specified radiation field having fixed deviations from a Planck spectrum. The calculated net emission is presented as a NLTE response matrix. In agreement with a rigorous general rule of non-equilibrium thermodynamics, the linear response is symmetric. We compute the response matrix for 1% and {+-} 50% changes in the photon temperature and find linear response over a surprisingly large range.

  6. Near-LTE linear response calculations with a collisional-radiative model for He-like Al ions

    SciTech Connect

    More, R.M.; Kato, T.

    1998-01-06

    We investigate the non-equilibrium atomic kinetics using a collisional-radiative (CR) model modified to include line absorption. Steady-state emission is calculated for He-like aluminum ions immersed in a specified radiation field having fixed deviations from a Planck spectrum. The net emission is interpreted in terms of NLTE population changes. The calculation provides an NLTE response matrix, and in agreement with a general relation of non-equilibrium thermodynamics, the response matrix is symmetric. We compute the response matrix for 1% and 50% changes in the photon temperature and find linear response over a surprisingly large range.

  7. Toward Accurate Modelling of Enzymatic Reactions: All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase

    SciTech Connect

    Ishida, Toyokazu

    2008-09-17

    To further understand the catalytic role of the protein environment in the enzymatic process, the author has analyzed the reaction mechanism of the Claisen rearrangement of Bacillus subtilis chorismate mutase (BsCM). By introducing a new computational strategy that combines all-electron QM calculations with ab initio QM/MM modelings, it was possible to simulate the molecular interactions between the substrate and the protein environment. The electrostatic nature of the transition state stabilization was characterized by performing all-electron QM calculations based on the fragment molecular orbital technique for the entire enzyme.

  8. Comparison between spin restricted and unrestricted post-Hartree—Fock calculations of effective exchange integrals in Ising and Heisenberg models

    NASA Astrophysics Data System (ADS)

    Yamaguchi, K.; Okumura, M.; Mori, W.; Maki, J.; Takada, K.; Noro, T.; Tanaka, K.

    1993-07-01

    Spin-restricted and unrestricted post-Hartree—Fock calculations were carried out for clusters of triplet methylene and nitroxide radicals. The UHF-based methods such as UMP and QCISD followed by approximate spin projection provide reasonable energy differences between the high-and low-spin states of these species. They are close to the corresponding values from spin-restricted multi-reference (MR) approaches such as CASSCF and second-order (SO) CI. Implications of SOCI and MRSDCI results are discussed in relation to the size inconsistency erros involved in ab initio calculations of weak interaction energies, such as the effective exchange integrals in Ising and Heisenberg models.

  9. Flow in geothermal wells: Part III. Calculation model for self-flowing well

    SciTech Connect

    Bilicki, Z.; Kestin, J.; Michaelides, E.E.

    1981-06-01

    The theoretical model described predicts the temperature, pressure, dynamic dryness fraction, and void fraction along the vertical channel of two-phase flow. The existing data from operating wells indicate good agreement with the model. (MHR)

  10. The comparison of models for calculating heat conduction losses in laser cutting of metals

    NASA Astrophysics Data System (ADS)

    Galushkin, M. G.; Golubev, V. S.; Grishaev, R. V.; Khomenko, M. D.

    2011-02-01

    Numerical comparisons of some models for estimating the power losses due to heat conduction in process of gas-assisted laser cutting are presented in this paper. In spite of differences between these models their results match fairly well.

  11. The comparison of models for calculating heat conduction losses in laser cutting of metals

    NASA Astrophysics Data System (ADS)

    Galushkin, M. G.; Golubev, V. S.; Grishaev, R. V.; Khomenko, M. D.

    2010-09-01

    Numerical comparisons of some models for estimating the power losses due to heat conduction in process of gas-assisted laser cutting are presented in this paper. In spite of differences between these models their results match fairly well.

  12. The multi-scattering model for calculations of positron spatial distribution in the multilayer stacks, useful for conventional positron measurements

    SciTech Connect

    Dryzek, Jerzy; Siemek, Krzysztof

    2013-08-21

    The spatial distribution of positrons emitted from radioactive isotopes into stacks or layered samples is a subject of the presented report. It was found that Monte Carlo (MC) simulations using GEANT4 code are not able to describe correctly the experimental data of the positron fractions in stacks. The mathematical model was proposed for calculations of the implantation profile or positron fractions in separated layers or foils being components of a stack. The model takes into account only two processes, i.e., the positron absorption and backscattering at interfaces. The mathematical formulas were applied in the computer program called LYS-1 (layers profile analysis). The theoretical predictions of the model were in the good agreement with the results of the MC simulations for the semi infinite sample. The experimental verifications of the model were performed on the symmetrical and non-symmetrical stacks of different foils. The good agreement between the experimental and calculated fractions of positrons in components of a stack was achieved. Also the experimental implantation profile obtained using the depth scanning of positron implantation technique is very well described by the theoretical profile obtained within the proposed model. The LYS-1 program allows us also to calculate the fraction of positrons which annihilate in the source, which can be useful in the positron spectroscopy.

  13. Elastic properties of amorphous Si and derived Debye temperatures and Grüneisen parameters: Model calculation

    NASA Astrophysics Data System (ADS)

    Feldman, J. L.; Broughton, J. Q.; Wooten, F.

    1991-01-01

    Calculations, based on the Stillinger-Weber (SW) interatomic-potential model and the method of long waves, are presented for the elastic properties of amorphous Si (a-Si) and for pressure derivatives of the elastic constants of crystalline Si. Several models of a-Si, relaxed on the basis of the SW potential, are considered, and the external stresses that are associated with these models are evaluated using the Born-Huang relations. The elastic constants appear to obey the isotropy conditions to within a reasonable accuracy and are also consistent with other predictions based on the SW potential at finite temperature obtained by Kluge and Ray. Estimates of the pressure dependence of the elastic constants, Debye temperature, and Grüeisen parameter for a-Si are also provided on the basis of these calculations.

  14. Modeling and calculation of turbulent transport in free-shear flows

    NASA Technical Reports Server (NTRS)

    Biringen, S.; Abdol-Hamid, K.

    1987-01-01

    In this work the applicability of the combined bulk convection and gradient transport hypotheses for modeling turbulent diffusion is investigated. The resulting model equation, namely the one-equation model, is solved for free-shear flows by an implicit finite-difference method. Results indicate that significant improvements over previous models can be achieved with this new formulation of turbulent diffusion for both heat and momentum transport.

  15. Influence of a detailed model of man on proton depth/dose calculation

    NASA Technical Reports Server (NTRS)

    Kase, P. G.

    1972-01-01

    The development of a detailed radiation shielding model of man is discussed. This model will be used to plan for manned space missions in which sensitive human tissues may be subjected to excessive radiation. The model has two configurations: standing and seated. More than 2500 individual elements were used to depict the external conformation, skeleton, and principal organs. The model is briefly described and several examples of its application to mission planning are given.

  16. New Method for Calculating the Potential Energy of Deformed Nuclei within the Liquid-Drop Model

    SciTech Connect

    Kurmanov, R.S.; Kosenko, G.I.

    2004-11-01

    The method that we previously developed for going over from double volume integrals to double surface integrals in calculating the Coulomb energy of nuclei that have a sharp surface is generalized to the case of nuclei where the range of nuclear forces is finite and where the nuclear surface is diffuse. New formulas for calculating the Coulomb and the nuclear energy of deformed nuclei are obtained within this approach. For a spherically symmetric nucleus, in which case there is an analytic solution to the problem in question, the results are compared with those that are quoted in the literature, and it is shown that the respective results coincide identically. A differential formulation of the method developed previously by Krappe, Nix, and Sierk for going over from double volume integrals to double surface integrals is proposed here on the basis of the present approach.

  17. Model to Calculate the Effectiveness of an Airborne Jammer on Analog Communications

    DTIC Science & Technology

    2005-09-01

    LC or AM)........................29 2. Vestigial Sideband Large Carrier (VSB-LC) ..................................34 C. FREQUENCY MODULATION...and Vestigial Sideband Large Carrier, are considered for the non-coherent analysis. Moreover, in calculations for the analysis, either the signal-to... Vestigial Sideband Large Carrier (VSB-LC) When removing the unwanted sideband from a DSB signal, a portion of the sideband remains because of

  18. On the modeling of the Taylor cylinder impact test for orthotropic textured materials: Calculations and experiments

    SciTech Connect

    Maudlin, P.J.; Bingert, J.F.; House, J.W.

    1997-04-01

    Taylor impact tests using specimens cut from a rolled plate of Ta were conducted. The Ta was well-characterized in terms of flow stress and crystallographic texture. A piece-wise yield surface was interrogated from this orthotropic texture, and used in EPIC-95 3D simulations of the Taylor test. Good agreement was realized between the calculations and the post-test geometries in terms of major and minor side profiles and impact-interface footprints.

  19. Turbulent Transfer Coefficients and Calculation of Air Temperature inside Tall Grass Canopies in Land Atmosphere Schemes for Environmental Modeling.

    NASA Astrophysics Data System (ADS)

    Mihailovic, D. T.; Alapaty, K.; Lalic, B.; Arsenic, I.; Rajkovic, B.; Malinovic, S.

    2004-10-01

    A method for estimating profiles of turbulent transfer coefficients inside a vegetation canopy and their use in calculating the air temperature inside tall grass canopies in land surface schemes for environmental modeling is presented. The proposed method, based on K theory, is assessed using data measured in a maize canopy. The air temperature inside the canopy is determined diagnostically by a method based on detailed consideration of 1) calculations of turbulent fluxes, 2) the shape of the wind and turbulent transfer coefficient profiles, and 3) calculation of the aerodynamic resistances inside tall grass canopies. An expression for calculating the turbulent transfer coefficient inside sparse tall grass canopies is also suggested, including modification of the corresponding equation for the wind profile inside the canopy. The proposed calculations of K-theory parameters are tested using the Land Air Parameterization Scheme (LAPS). Model outputs of air temperature inside the canopy for 8 17 July 2002 are compared with micrometeorological measurements inside a sunflower field at the Rimski Sancevi experimental site (Serbia). To demonstrate how changes in the specification of canopy density affect the simulation of air temperature inside tall grass canopies and, thus, alter the growth of PBL height, numerical experiments are performed with LAPS coupled with a one-dimensional PBL model over a sunflower field. To examine how the turbulent transfer coefficient inside tall grass canopies over a large domain represents the influence of the underlying surface on the air layer above, sensitivity tests are performed using a coupled system consisting of the NCEP Nonhydrostatic Mesoscale Model and LAPS.


  20. Some practical turbulence modeling options for Reynolds-averaged full Navier-Stokes calculations of three-dimensional flows

    NASA Technical Reports Server (NTRS)

    Bui, Trong T.

    1993-01-01

    New turbulence modeling options recently implemented for the 3D version of Proteus, a Reynolds-averaged compressible Navier-Stokes code, are described. The implemented turbulence models include: the Baldwin-Lomax algebraic model, the Baldwin-Barth one-equation model, the Chien k-epsilon model, and the Launder-Sharma k-epsilon model. Features of this turbulence modeling package include: well documented and easy to use turbulence modeling options, uniform integration of turbulence models from different classes, automatic initialization of turbulence variables for calculations using one- or two-equation turbulence models, multiple solid boundaries treatment, and fully vectorized L-U solver for one- and two-equation models. Good agreements are obtained between the computational results and experimental data. Sensitivity of the compressible turbulent solutions with the method of y(+) computation, the turbulent length scale correction, and some compressibility corrections are examined in detail. Test cases show that the highly optimized one- and two-equation turbulence models can be used in routine 3D Navier-Stokes computations with no significant increase in CPU time as compared with the Baldwin-Lomax algebraic model.

  1. Some practical turbulence modeling options for Reynolds-averaged full Navier-Stokes calculations of three-dimensional flows

    NASA Technical Reports Server (NTRS)

    Bui, Trong T.

    1993-01-01

    New turbulence modeling options recently implemented for the 3-D version of Proteus, a Reynolds-averaged compressible Navier-Stokes code, are described. The implemented turbulence models include: the Baldwin-Lomax algebraic model, the Baldwin-Barth one-equation model, the Chien k-epsilon model, and the Launder-Sharma k-epsilon model. Features of this turbulence modeling package include: well documented and easy to use turbulence modeling options, uniform integration of turbulence models from different classes, automatic initialization of turbulence variables for calculations using one- or two-equation turbulence models, multiple solid boundaries treatment, and fully vectorized L-U solver for one- and two-equation models. Validation test cases include the incompressible and compressible flat plate turbulent boundary layers, turbulent developing S-duct flow, and glancing shock wave/turbulent boundary layer interaction. Good agreement is obtained between the computational results and experimental data. Sensitivity of the compressible turbulent solutions with the method of y(sup +) computation, the turbulent length scale correction, and some compressibility corrections are examined in detail. The test cases show that the highly optimized one-and two-equation turbulence models can be used in routine 3-D Navier-Stokes computations with no significant increase in CPU time as compared with the Baldwin-Lomax algebraic model.

  2. Comparative calculations of electron transport properties in 6H-SiC using three and five valley models

    NASA Astrophysics Data System (ADS)

    Talha, Nora; Bouazza, Benyounes; Guen Bouazza, Ahlam; Kadoun, Abd-Ed-Daim

    2016-07-01

    Steady-state electron properties are investigated in 6H-SiC at various temperatures, using Monte Carlo simulation where the band structure model is a major part when dealing with high fields. The aim of this work is to optimize the number of valleys involved in the simulation program in order to obtain accurate results while improving the calculation efficiency. For high fields, a five valley model was found to be more accurate than a three valley model and as efficient as the full band method though much less computer time-consuming.

  3. Calculation of 3D turbulent jets in crossflow with a multigrid method and a second-moment closure model

    NASA Technical Reports Server (NTRS)

    Demuren, A. O.

    1990-01-01

    A multigrid method is presented for calculating turbulent jets in crossflow. Fairly rapid convergence is obtained with the k-epsilon turbulence model, but computations with a full Reynolds stress turbulence model (RSM) are not yet very efficient. Grid dependency tests show that there are slight differences between results obtained on the two finest grid levels. Computations using the RSM are significantly different from those with k-epsilon model and compare better to experimental data. Some work is still required to improve the efficiency of the computations with the RSM.

  4. Collision-induced absorption by N2 near 2.16 µm: Calculations, model, and consequences for atmospheric remote sensing

    NASA Astrophysics Data System (ADS)

    Hartmann, J.-M.; Boulet, C.; Toon, G. C.

    2017-02-01

    Classical molecular dynamics simulations (CMDS) are used for calculations of the collision-induced absorption (CIA) by pure N2 in the (2.1-2.2 µm) region of the first overtone band. They lead to reasonable (±15%) agreement with the only two laboratory measurements available, at 97 K and room temperature. Based on these experiment/theory comparisons, empirical corrections are made to the CMDS-calculated CIA of pure N2 in the 200-300 K temperature range. In addition, the contribution of N2-O2 collisions is, in the absence of any laboratory measurement, calculated and a simple semiempirical model (the first of its kind) is built in order to predict the CIA of N2 under Earth atmosphere conditions. This is successfully validated by comparisons with ground-based atmospheric transmission spectra in the 2.1-2.2 µm region.

  5. [ESTIMATION OF IONIZING RADIATION EFFECTIVE DOSES IN THE INTERNATIONAL SPACE STATION CREWS BY THE METHOD OF CALCULATION MODELING].

    PubMed

    Mitrikas, V G

    2015-01-01

    Monitoring of the radiation loading on cosmonauts requires calculation of absorbed dose dynamics with regard to the stay of cosmonauts in specific compartments of the space vehicle that differ in shielding properties and lack means of radiation measurement. The paper discusses different aspects of calculation modeling of radiation effects on human body organs and tissues and reviews the effective dose estimates for cosmonauts working in one or another compartment over the previous period of the International space station operation. It was demonstrated that doses measured by a real or personal dosimeters can be used to calculate effective dose values. Correct estimation of accumulated effective dose can be ensured by consideration for time course of the space radiation quality factor.

  6. Comparison of measured and calculated airloads on an energy efficient transport wing model equipped with oscillating control surfaces

    NASA Technical Reports Server (NTRS)

    Mccain, W. E.

    1984-01-01

    Wind-tunnel measurements of steady and unsteady pressures for a high-aspect-ratio supercritical wing model are compared with calculations by the linear unsteady aerodynamic lifting-surface theory, known as the Doublet Lattice method, at Mach numbers of 0.650 (subsonic) and 0.78 (transonic). The steady-pressure data comparisons are made for incremental changes in angle of attack and control-surface deflection. The unsteady-pressure data comparisons are made for oscillating control-surface deflections. Some differences between the measured and calculated aerodynamics are attributed to viscous and transonic effects that are not accounted for in the Doublet Lattice analysis. Comparisons of the transonic unsteady-pressure data for the oscillating control surfaces are improved by applying empirical corrections based on the steady-pressure measurements to the unsteady Doublet Lattice calculations.

  7. SU-E-T-276: Dose Calculation Accuracy with a Standard Beam Model for Extended SSD Treatments

    SciTech Connect

    Kisling, K; Court, L; Kirsner, S; Nelson, C

    2015-06-15

    Purpose: While most photon treatments are delivered near 100cm SSD or less, a subset of patients may benefit from treatment at SSDs greater than 100cm. A proposed rotating chair for upright treatments would enable isocentric treatments at extended SSDs. The purpose of this study was to assess the accuracy of the Pinnacle{sup 3} treatment planning system dose calculation for standard beam geometries delivered at extended SSDs with a beam model commissioned at 100cm SSD. Methods: Dose to a water phantom at 100, 110, and 120cm SSD was calculated with the Pinnacle {sup 3} CC convolve algorithm for 6x beams for 5×5, 10×10, 20×20, and 30×30cm{sup 2} field sizes (defined at the water surface for each SSD). PDDs and profiles (depths of 1.5, 12.5, and 22cm) were compared to measurements in water with an ionization chamber. Point-by-point agreement was analyzed, as well as agreement in field size defined by the 50% isodose. Results: The deviations of the calculated PDDs from measurement, analyzed from depth of maximum dose to 23cm, were all within 1.3% for all beam geometries. In particular, the calculated PDDs at 10cm depth were all within 0.7% of measurement. For profiles, the deviations within the central 80% of the field were within 2.2% for all geometries. The field sizes all agreed within 2mm. Conclusion: The agreement of the PDDs and profiles calculated by Pinnacle3 for extended SSD geometries were within the acceptability criteria defined by Van Dyk (±2% for PDDs and ±3% for profiles). The accuracy of the calculation of more complex beam geometries at extended SSDs will be investigated to further assess the feasibility of using a standard beam model commissioned at 100cm SSD in Pinnacle3 for extended SSD treatments.

  8. Bayesian Algorithm Implementation in a Real Time Exposure Assessment Model on Benzene with Calculation of Associated Cancer Risks

    PubMed Central

    Sarigiannis, Dimosthenis A.; Karakitsios, Spyros P.; Gotti, Alberto; Papaloukas, Costas L.; Kassomenos, Pavlos A.; Pilidis, Georgios A.

    2009-01-01

    The objective of the current study was the development of a reliable modeling platform to calculate in real time the personal exposure and the associated health risk for filling station employees evaluating current environmental parameters (traffic, meteorological and amount of fuel traded) determined by the appropriate sensor network. A set of Artificial Neural Networks (ANNs) was developed to predict benzene exposure pattern for the filling station employees. Furthermore, a Physiology Based Pharmaco-Kinetic (PBPK) risk assessment model was developed in order to calculate the lifetime probability distribution of leukemia to the employees, fed by data obtained by the ANN model. Bayesian algorithm was involved in crucial points of both model sub compartments. The application was evaluated in two filling stations (one urban and one rural). Among several algorithms available for the development of the ANN exposure model, Bayesian regularization provided the best results and seemed to be a promising technique for prediction of the exposure pattern of that occupational population group. On assessing the estimated leukemia risk under the scope of providing a distribution curve based on the exposure levels and the different susceptibility of the population, the Bayesian algorithm was a prerequisite of the Monte Carlo approach, which is integrated in the PBPK-based risk model. In conclusion, the modeling system described herein is capable of exploiting the information collected by the environmental sensors in order to estimate in real time the personal exposure and the resulting health risk for employees of gasoline filling stations. PMID:22399936

  9. Model calculations of the radiation dose and LET spectra on LDEF and comparisons with flight data

    NASA Technical Reports Server (NTRS)

    Armstrong, T. W.; Colborn, B. L.; Benton, E. V.

    1996-01-01

    Ionizing radiation environment models, a 3-D spacecraft mass model, and radiation transport codes have been used to predict the radiation dose and linear energy transfer (LET) spectra measured at various locations on the LDEF satellite. The predictions are compared with thermoluminescent dosimeter measurements of the trapped proton and electron doses and with LET spectra measured by plastic nuclear track detectors. The predicted vs observed comparisons indicate some of the uncertainties of present ionizing radiation environment models for low Earth-orbit missions.

  10. Uncertainties in fuel loading and fire consumption calculations and the Smoke and Emissions Model Intercomparison Project

    NASA Astrophysics Data System (ADS)

    Larkin, N.; Solomon, R.; Strand, T.; Raffuse, S. M.; Craig, K.

    2009-12-01

    Fire and fuel managers often need to know how much fuel will be consumed by a fire, and how much smoke the fire will produce. Many factors influence the end result, including fuel type, loading, and moisture, quantity of live and dead fuels, terrain, and meteorology. A variety of fuel models and consumption models have been developed to help provide estimated quantities of fuel consumption and subsequent smoke production. We present results from this work, done as part of the Smoke and Emissions Model Intercomparison Project that show that the specific choice of model and model coupling can have a large effect on the final answer. We have used four different consumption models (CONSUME3, EPM, FEPS, and FOFEM) with three different fuel loading maps (NFDRS, Hardy, FCCS) to bracket the simulated results. A new web-based database viewer now allows both scientists and land and fire managers to directly compare various results by selecting a fuel loading map and consumption model. For model users interested in information for a specific fire these comparisons can be useful in understanding the uncertainties resulting from different model choices.

  11. A Mathematical Model for Calculating Detection Probability of a Diffusion Target.

    DTIC Science & Technology

    1984-09-01

    diffusion model. This model assumes that there is a stationary searcher which has a " cookie -cutter" sensor with radius R. In order to construct this model...stationary searcher which has a " cookie -cutter" sensor with radius R. In order to construct this model, a Monte Carlo simulation program is used to generate...of radius R. The dete:tior. probability of a target inside of this disk is 1 and outside is 0. :he searcher thus has a " cookie - cutter" sensor with

  12. Pressure Profiles in Two-Phase Geothermal Wells: Comparison of Field Data and Model Calculations

    SciTech Connect

    Ambastha, A.K.; Gudmundsson, J.S.

    1986-01-21

    Increased confidence in the predictive power of two-phase correlations is a vital part of wellbore deliverability and deposition studies for geothermal wells. Previously, the Orkiszewski (1967) set of correlations has been recommended by many investigators to analyze geothermal wellbore performance. In this study, we use measured flowing pressure profile data from ten geothermal wells around the world, covering a wide range of flowrate, fluid enthalpy, wellhead pressure and well depth. We compare measured and calculated pressure profiles using the Orkiszewski (1967) correlations.

  13. A Comparison of Volume Scattering Strength Data with Model Calculations based on Quasisynoptically Collected Fishery Data

    DTIC Science & Technology

    1993-06-03

    canceled and those gnadMras aoaois okn ouet ogen and Murmansk laboratories. Working documents for planned for sites A4 and A5 to be conducted at site A4a...is the viscosity of fish flesh, and where Ya is the ratio of specific heats of air (y,.= 1.4) and fo is the resonance frequency of the swimbladder: P ...regression equations of the P . We have also used cw,= 1.5 X 105 cm/s. form Thus, Eqs. (1)-(3) show that to calculate SL for a W=W. (7) layer of fish

  14. Mathematic-computational modeling for the calculations involved in the Stern-Volmer theory

    NASA Astrophysics Data System (ADS)

    Thadeu, Felipe C.; Silva, Juliana A.; Silva, Dilson

    2016-12-01

    The present work consists of the description of a mathematic-computational routine to process the calculation, statistics, plotting graphs and then show binding constants of ligands to transport proteins, as described by the Stern-Volmer Theory. The quenching of fluorescence technique used to analyze samples produces a great amount of data to build spectral plots. The aim of the work is to develop a computational tool which simplify, turn confident and make agile to deal with the great mass of data generated by the fluorescence spectroscopy equipment.

  15. UNCERTAINTY AND THE JOHNSON-ETTINGER MODEL FOR VAPOR INTRUSION CALCULATIONS

    EPA Science Inventory

    The Johnson-Ettinger Model is widely used for assessing the impacts of contaminated vapors on residential air quality. Typical use of this model relies on a suite of estimated data, with few site-specific measurements. Software was developed to provide the public with automate...

  16. COMMENT: Comment on 'Model calculation of the scanned field enhancement factor of CNTs'

    NASA Astrophysics Data System (ADS)

    Zhbanov, A. I.; Lee, Yong-Gu; Pogorelov, E. G.; Chang, Yia-Chung

    2010-09-01

    The model proposed by Ahmad and Tripathi (2006 Nanotechnology 17 3798) demonstrates that the field enhancement factor of carbon nanotubes (CNTs) reaches a maximum at a certain length. Here, we show that this behavior should not occur and suggest our correction to this model.

  17. A Classroom Note on: Modeling Functions with the TI-83/84 Calculator

    ERIC Educational Resources Information Center

    Lubowsky, Jack

    2011-01-01

    In Pre-Calculus courses, students are taught the composition and combination of functions to model physical applications. However, when combining two or more functions into a single more complicated one, students may lose sight of the physical picture which they are attempting to model. A block diagram, or flow chart, in which each block…

  18. Comparison between tracer measurements and model calculations for nighttime drainage flows in complex terrain

    SciTech Connect

    Foster, K.T.; Dickerson, M.H.

    1984-06-01

    Results from a series of field experiments in the Geysers area of northern California, in which nonreactive tracers were released from different locations within or near nighttime drainage flows, were used to evaluate a three-dimensional mars-consistent diagnostic wind field model (MATHEW) and a particle-in-cell transport and diffusion model (APDIC). 9 references, 4 figures, 2 tables. (ACR)

  19. UAH mathematical model of the variable polarity plasma ARC welding system calculation

    NASA Technical Reports Server (NTRS)

    Hung, R. J.

    1994-01-01

    Significant advantages of Variable Polarity Plasma Arc (VPPA) welding process include faster welding, fewer repairs, less joint preparation, reduced weldment distortion, and absence of porosity. A mathematical model is presented to analyze the VPPA welding process. Results of the mathematical model were compared with the experimental observation accomplished by the GDI team.

  20. Calculating the bidirectional reflectance of natural vegetation covers using Boolean models and geometric optics

    NASA Technical Reports Server (NTRS)

    Strahler, Alan H.; Li, Xiao-Wen; Jupp, David L. B.

    1991-01-01

    The bidirectional radiance or reflectance of a forest or woodland can be modeled using principles of geometric optics and Boolean models for random sets in a three dimensional space. This model may be defined at two levels, the scene includes four components; sunlight and shadowed canopy, and sunlit and shadowed background. The reflectance of the scene is modeled as the sum of the reflectances of the individual components as weighted by their areal proportions in the field of view. At the leaf level, the canopy envelope is an assemblage of leaves, and thus the reflectance is a function of the areal proportions of sunlit and shadowed leaf, and sunlit and shadowed background. Because the proportions of scene components are dependent upon the directions of irradiance and exitance, the model accounts for the hotspot that is well known in leaf and tree canopies.

  1. Bypass Transitional Flow Calculations Using a Navier-Stokes Solver and Two-Equation Models

    NASA Technical Reports Server (NTRS)

    Liuo, William W.; Shih, Tsan-Hsing; Povinelli, L. A. (Technical Monitor)

    2000-01-01

    Bypass transitional flows over a flat plate were simulated using a Navier-Stokes solver and two equation models. A new model for the bypass transition, which occurs in cases with high free stream turbulence intensity (TI), is described. The new transition model is developed by including an intermittency correction function to an existing two-equation turbulence model. The advantages of using Navier-Stokes equations, as opposed to boundary-layer equations, in bypass transition simulations are also illustrated. The results for two test flows over a flat plate with different levels of free stream turbulence intensity are reported. Comparisons with the experimental measurements show that the new model can capture very well both the onset and the length of bypass transition.

  2. Calculated mineral precipitation upon evaporation of a model Martian groundwater near 0 C

    NASA Technical Reports Server (NTRS)

    Debraal, J. D.; Reed, M. H.; Plumlee, G. S.

    1992-01-01

    Previously, the effect of weathering a basalt of Shergotty meteorite composition with pure water buffered at martian atmospheric values of CO2 and O2, to place constraints upon the composition of martian groundwater, and to determine possible equilibrium mineral assemblages was calculated. A revised calculation of the composition of the aqueous phase in the weathering reaction as a function of the amount of basalt titrated into the solution is shown. The concentrations of sulfate and chloride ions increase in the solution from high water/rock ratios (w/r) on the left to low water/rock ratios on the right, until at w/r = 1, where 1 kg of basalt has been titrated, sulfate concentration is 1564 ppm and chloride is 104 ppm. This resulting fluid is dominated by sulfate and sodium, with bicarbonate and chloride at about the same concentration. This solution was evaporated in an attempt to determine if the resulting evaporite can explain the Viking XRF data. The program CHILLER was used to evaporate this solution at 0.1 C.

  3. Evapotranspiration Calculator Desktop Tool

    EPA Pesticide Factsheets

    The Evapotranspiration Calculator estimates evapotranspiration time series data for hydrological and water quality models for the Hydrologic Simulation Program - Fortran (HSPF) and the Stormwater Management Model (SWMM).

  4. Thermodynamics of polymer nematics described with a worm-like chain model: particle-based simulations and SCF theory calculations

    NASA Astrophysics Data System (ADS)

    Greco, Cristina; Yiang, Ying; Kremer, Kurt; Chen, Jeff; Daoulas, Kostas

    Polymer liquid crystals, apart from traditional applications as high strength materials, are important for new technologies, e.g. Organic Electronics. Their studies often invoke mesoscale models, parameterized to reproduce thermodynamic properties of the real material. Such top-down strategies require advanced simulation techniques, predicting accurately the thermodynamics of mesoscale models as a function of characteristic features and parameters. Here a recently developed model describing nematic polymers as worm-like chains interacting with soft directional potentials is considered. We present a special thermodynamic integration scheme delivering free energies in particle-based Monte Carlo simulations of this model, avoiding thermodynamic singularities. Conformational and structural properties, as well as Helmholtz free energies are reported as a function of interaction strength. They are compared with state-of-art SCF calculations invoking a continuum analog of the same model, demonstrating the role of liquid-packing and fluctuations.

  5. Calculation of Dynamical and Many-Body Observables with the Polynomial Expansion Method for Spin-Fermion Models

    SciTech Connect

    Alvarez, Gonzalo; Schulthess, Thomas C

    2006-01-01

    The calculation of two- and four-particle observables is addressed within the framework of the truncated polynomial expansion method (TPEM). The TPEM replaces the exact diagonalization of the one-electron sector in models for fermions coupled to classical fields such as those used in manganites and diluted magnetic semiconductors. The computational cost of the algorithm is O(N) - with N the number of lattice sites - for the TPEM, which should be contrasted with the computational cost of the diagonalization technique that scales as O(N{sup 4}). By means of the TPEM, the density of states, spectral function, and optical conductivity of a double-exchange model for manganites are calculated on large lattices and compared to previous results and experimental measurements. The ferromagnetic metal becomes an insulator by increasing the direct exchange coupling that competes with the double-exchange mechanism. This metal-insulator transition is investigated in three dimensions.

  6. Mathematical model and calculation algorithm of micro and meso levels of separation process of gaseous mixtures in molecular sieves

    SciTech Connect

    Umarova, Zhanat; Botayeva, Saule; Yegenova, Aliya; Usenova, Aisaule

    2015-05-15

    In the given article, the main thermodynamic aspects of the issue of modeling diffusion transfer in molecular sieves have been formulated. Dissipation function is used as a basic notion. The differential equation, connecting volume flow with the change of the concentration of catchable component has been derived. As a result, the expression for changing the concentration of the catchable component and the coefficient of membrane detecting has been received. As well, the system approach to describing the process of gases separation in ultra porous membranes has been realized and micro and meso-levels of mathematical modeling have been distinguished. The non-ideality of the shared system is primarily taken into consideration at the micro-level and the departure from the diffusion law of Fick has been taken into account. The calculation method of selectivity considering fractal structure of membranes has been developed at the meso level. The calculation algorithm and its software implementation have been suggested.

  7. Model calculations for n-CdZnS light emitter grown on p-GaN hole injector

    NASA Astrophysics Data System (ADS)

    McCaldin, J. O.; Wang, M. W.; McGill, T. C.

    1996-02-01

    Recent energy diagrams for semiconductors suggest that p-GaN should inject holes into all the common II-VI compounds, including the sulfides. These diagrams treat only the energetics of the hole injection process, however, whereas kinetics are likely to play an important role as well. Hence, we have performed model calculations of the currents expected in the {p-GaN}/{n-ZnS} heterostructure to assist in our MBE growth and device studies of this system, now beginning. The calculations indicated the need for an electron blocker so that hole injection into the sulfide layer would be the dominant current. An example illustrating these points is p-GaN/MgZnS/n-CdZnS, with the middle layer being the electron blocker. We present simulations of this structure based on realistic models of the heterojunction, including the self-consistent effects of the dopant and free carrier charges as a function of bias.

  8. Calculation of intercepted volume of sewer overflows: a model for control of nonpoint pollution sources in urban areas

    NASA Astrophysics Data System (ADS)

    Choi, S. C.; Jung1, D. I.; Won, C. H.; Rim, J. M.

    2006-10-01

    The authors discovered large differences in the characteristics of overflows by the calculation of 1) intercepting volume of overflows for sewer systems using SWMM model which takes into consideration the runoff and pollutants from rainfalls and 2) the intercepted volume in the total flow at an investigation site. The intercepting rate at the investigation point of CSOs showed higher values than the SSDs. Based on the modeling of the receiving water quality after calculating the intercepting amount of overflows by considering the characteristics of outflows for a proper management of the overflow of sewer systems with rainfalls, it is clear that the BOD decreased by 82.9% 94.0% for the discharge after intercepting a specific amount of flows compared to the discharge from unprocessed overflows.

  9. Comparisons of calculated respiratory tract deposition of particles based on the NCRP/ITRI model and the new ICRP66 model

    SciTech Connect

    Yeh, Hsu-Chi; Phalen, R.F.; Chang, I.

    1995-12-01

    The National Council on Radiation Protection and Measurements (NCRP) in the United States and the International Commission on Radiological Protection (ICRP) have been independently reviewing and revising respiratory tract dosimetry models for inhaled radioactive aerosols. The newly proposed NCRP respiratory tract dosimetry model represents a significant change in philosophy from the old ICRP Task Group model. The proposed NCRP model describes respiratory tract deposition, clearance, and dosimetry for radioactive substances inhaled by workers and the general public and is expected to be published soon. In support of the NCRP proposed model, ITRI staff members have been developing computer software. Although this software is still incomplete, the deposition portion has been completed and can be used to calculate inhaled particle deposition within the respiratory tract for particle sizes as small as radon and radon progeny ({approximately} 1 nm) to particles larger than 100 {mu}m. Recently, ICRP published their new dosimetric model for the respiratory tract, ICRP66. Based on ICRP66, the National Radiological Protection Board of the UK developed PC-based software, LUDEP, for calculating particle deposition and internal doses. The purpose of this report is to compare the calculated respiratory tract deposition of particles using the NCRP/ITRI model and the ICRP66 model, under the same particle size distribution and breathing conditions. In summary, the general trends of the deposition curves for the two models were similar.

  10. Calculation of the fixed bed coal gasification regimes by the use of thermodynamic model with macrokinetic constraints

    NASA Astrophysics Data System (ADS)

    Donskoi, I. G.; Keiko, A. V.; Kozlov, A. N.; Svishchev, D. A.; Shamanskii, V. A.

    2013-12-01

    We discuss an equilibrium model of a fixed-bed solid fuel gasification process that takes into account macrokinetic constraints imposed on the rates of heterophase processes and allows the pyrolysis and gasification processes to be described in a fairly simple manner with the use of thermal analysis data. The results of calculations are compared with the measured parameters characterizing the Azeisk coal steam-air gasification process that were obtained in experiments on a laboratory setup.

  11. Mathematical modeling and calculation of heating and melting of particles of the polymeric powder in flow channel of the sprayer

    NASA Astrophysics Data System (ADS)

    Fedyaev, V. L.; Morenko, I. V.; Siraev, A. R.; Galimov, E. R.; Gimranov, I. R.; Fazlyev, L. R.; Takhaviyev, M. S.

    2015-06-01

    Heating and melting of particles of polymeric powder in the central flow channel of spraying gun is investigated. Mathematical models of these processes taking into account convective and radiative-convective heat interaction of particles with environment is represented. Relations for calculating the temperature of the particles depending on the longitudinal coordinate, time of flight, operating and design parameters as well as thermophysical characteristics of the particles material and environment are given.

  12. Quasicontiguous frequency-fluctuation model for calculation of hydrogen and hydrogenlike Stark-broadened line shapes in plasmas.

    PubMed

    Stambulchik, E; Maron, Y

    2013-05-01

    We present an analytical method for the calculation of shapes of Stark-broadened spectral lines in plasmas, applicable to hydrogen and hydrogenlike transitions (including Rydberg ones) with Δn>1. The method is based on the recently suggested quasicontiguous approximation of the static Stark line shapes, while the dynamical effects are accounted for using the frequency-fluctuation-model approach. Comparisons with accurate computer simulations show excellent agreement.

  13. A comparative study of microwave radiometer observations over snowfields with radiative transfer model calculations. [for water runoff estimation

    NASA Technical Reports Server (NTRS)

    Chang, A. T. C.; Shiue, J. C.

    1979-01-01

    Truck mounted microwave instrumentation was used to study the microwave emission characteristics of the Colorado Rocky Mountain snowpack in the vicinity of Fraser, Colorado during the winter of 1978. The spectral signatures of 5.0, 10.7, 18, and 37 GHz radiometers with dual polarization were used to measure the snowpack density and temperature profiles, rain profile, and free water content. These data were compared with calculated results based on microscopic scattering models for dry, surface melting, and very wet snowpacks.

  14. Interpretation of protein quantitation using the Bradford assay: comparison with two calculation models.

    PubMed

    Ku, Hyung-Keun; Lim, Hyuk-Min; Oh, Kyong-Hwa; Yang, Hyo-Jin; Jeong, Ji-Seon; Kim, Sook-Kyung

    2013-03-01

    The Bradford assay is a simple method for protein quantitation, but variation in the results between proteins is a matter of concern. In this study, we compared and normalized quantitative values from two models for protein quantitation, where the residues in the protein that bind to anionic Coomassie Brilliant Blue G-250 comprise either Arg and Lys (Method 1, M1) or Arg, Lys, and His (Method 2, M2). Use of the M2 model yielded much more consistent quantitation values compared with use of the M1 model, which exhibited marked overestimations against protein standards.

  15. Implications of the comparison of ozone abundances measured by the Solar Mesosphere Explorer to model calculations

    NASA Technical Reports Server (NTRS)

    Rusch, D. W.; Eckman, R. S.

    1985-01-01

    Two years of ozone measurements from the Solar Mesosphere Explorer satellite are compared to the results of a model of lower mesospheric photochemistry. The measured ozone mixing ratios are larger than those predicted by the model by as much as a factor of two at pressures near 0.1 mbar and 1.3 at 1.0 mbar using currently accepted reaction rate coefficients. The model is brought into good agreement with the measurements over a wide range of latitudes and solar zenith angles only if the efficiency of the odd hydrogen catalytic cycle which destroys odd oxygen is decreased by 30-50 percent.

  16. Steady-state balance model to calculate the indoor climate of livestock buildings, demonstrated for finishing pigs

    NASA Astrophysics Data System (ADS)

    Schauberger, G.; Piringer, M.; Petz, E.

    The indoor climate of livestock buildings is of importance for the well-being and health of animals and their production performance (daily weight gain, milk yield etc). By using a steady-state model for the sensible and latent heat fluxes and the CO2 and odour mass flows, the indoor climate of mechanically ventilated livestock buildings can be calculated. These equations depend on the livestock (number of animals and how they are kept), the insulation of the building and the characteristics of the ventilation system (ventilation rate). Since the model can only be applied to animal houses where the ventilation systems are mechanically controlled (this is the case for a majority of finishing pig units), the calculations were done for an example of a finishing pig unit with 1000 animal places. The model presented used 30 min values of the outdoor parameters temperature and humidity, collected over a 2-year period, as input. The projected environment inside the livestock building was compared with recommended values. The duration of condensation on the inside surfaces was also calculated.

  17. Selection of a Tritium Dose Model: Defensibility and Reasonableness for DOE Authorization Basis Calculations

    SciTech Connect

    Blanchard, A.; O`Kula, K.R.; East, J.M.

    1998-06-01

    This paper highlights the logic used to select a dispersion/consequence methodology, describes the collection of tritium models contained in the suite of analysis options (the `tool kit`), and provides application examples.

  18. A model of galactic cosmic rays for use in calculating linear energy transfer spectra

    NASA Technical Reports Server (NTRS)

    Chen, J.; Chenette, D.; Clark, R.; Garcia-Munoz, M.; Guzik, T. G.; Pyle, K. R.; Sang, Y.; Wefel, J. P.

    1994-01-01

    The Galactic Cosmic Rays (GCR) contain fully stripped nuclei, from Hydrogen to beyond the Iron group, accelerated to high energies and are a major component of the background radiation encountered by satellites and interplanetary spacecraft. This paper presents a GCR model which is based upon our current understanding of the astrophysics of GCR transport through interstellar and interplanetary space. The model can be used to predict the energy spectra for all stable and long-lived radioactive species from H to Ni over an energy range from 50 to 50,000 MeV/nucleon as a function of a single parameter, the solar modulation level phi. The details of this model are summarized, phi is derived for the period 1974 to present, and results from this model during the 1990/1991 Combined Release and Radiation Effects Satellite (CRRES) mission are presented.

  19. CALCULATING PHYSICAL PROPERTIES OF ORGANIC COMPOUNDS FOR ENVIRONMENTAL MODELING FROM MOLECULAR STRUCTURE

    EPA Science Inventory

    Mathematical models for predicting the transport and fate of pollutants in the environment require reactivity parameter values-- that is value of the physical and chemical constants that govern reactivity. Although empirical structure activity relationships have been developed t...

  20. Ocean color spectrum calculations. [theoretical models relating oceanographic parameters to upwelling radiances

    NASA Technical Reports Server (NTRS)

    Mccluney, W. R.

    1974-01-01

    The development is considered of procedures for measuring a number of subsurface oceanographic parameters using remotely sensed ocean color data. It is proposed that the first step in this effort should be the development of adequate theoretical models relating the desired oceanographic parameters to the upwelling radiances to be observed. A portion of a contributory theoretical model is shown to be described by a modified single scattering approach based upon a simple treatment of multiple scattering. The resulting quasi-single scattering model can be used to predict the upwelling distribution of spectral radiance emerging from the sea. The shape of the radiance spectrum predicted by this model for clear ocean water shows encouraging agreement with measurments made at the edge of the Sargasso Sea off Cape Hatteras.