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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

TH-E-BRE-02: A Forward Scattering Approximation to Dose Calculation Using the Linear Boltzmann Transport Equation

Purpose: To investigate the use of the linear Boltzmann transport equation as a dose calculation tool which can account for interface effects, while still having faster computation times than Monte Carlo methods. In particular, we introduce a forward scattering approximation, in hopes of improving calculation time without a significant hindrance to accuracy. Methods: Two coupled Boltzmann transport equations were constructed, one representing the fluence of photons within the medium, and the other, the fluence of electrons. We neglect the scattering term within the electron transport equation, resulting in an extreme forward scattering approximation to reduce computational complexity. These equations were then solved using a numerical technique for solving partial differential equations, known as a finite difference scheme, where the fluence at each discrete point in space is calculated based on the fluence at the previous point in the particle's path. Using this scheme, it is possible to develop a solution to the Boltzmann transport equations by beginning with boundary conditions and iterating across the entire medium. The fluence of electrons can then be used to find the dose at any point within the medium. Results: Comparisons with Monte Carlo simulations indicate that even simplistic techniques for solving the linear Boltzmann transport equation yield expected interface effects, which many popular dose calculation algorithms are not capable of predicting. Implementation of a forward scattering approximation does not appear to drastically reduce the accuracy of this algorithm. Conclusion: Optimized implementations of this algorithm have been shown to be very accurate when compared with Monte Carlo simulations, even in build up regions where many models fail. Use of a forward scattering approximation could potentially give a reasonably accurate dose distribution in a shorter amount of time for situations where a completely accurate dose distribution is not required, such as in certain optimization algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SCALE Code System

The SCALE Code System is a widely-used modeling and simulation suite for nuclear safety analysis and design that is developed, maintained, tested, and managed by the Reactor and Nuclear Systems Division (RNSD) of Oak Ridge National Laboratory (ORNL). SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor and lattice physics, radiation shielding, spent fuel and radioactive source term characterization, and sensitivity and uncertainty analysis. Since 1980, regulators, licensees, and research institutions around the world have used SCALE for safety analysis and design. SCALE provides an integrated framework with dozens of computational modules including three deterministic and three Monte Carlo radiation transport solvers that are selected based on the desired solution strategy. SCALE includes current nuclear data libraries and problem-dependent processing tools for continuous-energy (CE) and multigroup (MG) neutronics and coupled neutron-gamma calculations, as well as activation, depletion, and decay calculations. SCALE includes unique capabilities for automated variance reduction for shielding calculations, as well as sensitivity and uncertainty analysis. SCALE’s graphical user interfaces assist with accurate system modeling, visualization of nuclear data, and convenient access to desired results.SCALE 6.2 provides many new capabilities and significant improvements of existing features.New capabilities include:• ENDF/B-VII.1 nuclear data libraries CE and MG with enhanced group structures,• Neutron covariance data based on ENDF/B-VII.1 and supplemented with ORNL data,• Covariance data for fission product yields and decay constants,• Stochastic uncertainty and correlation quantification for any SCALE sequence with Sampler,• Parallel calculations with KENO,• Problem-dependent temperature corrections for CE calculations,• CE shielding and criticality accident alarm system analysis with MAVRIC,• CE depletion with TRITON (T5-DEPL/T6-DEPL),• CE sensitivity/uncertainty analysis with TSUNAMI-3D,• Simplified and efficient LWR lattice physics with Polaris,• Large scale detailed spent fuel characterization with ORIGAMI and ORIGAMI Automator,• Advanced fission source convergence acceleration capabilities with Sourcerer,• Nuclear data library generation with AMPX, and• Integrated user interface with Fulcrum.Enhanced capabilities include:• Accurate and efficient CE Monte Carlo methods for eigenvalue and fixed source calculations,• Improved MG resonance self-shielding methodologies and data,• Resonance self-shielding with modernized and efficient XSProc integrated into most sequences,• Accelerated calculations with TRITON/NEWT (generally 4x faster than SCALE 6.1),• Spent fuel characterization with 1470 new reactor-specific libraries for ORIGEN,• Modernization of ORIGEN (Chebyshev Rational Approximation Method [CRAM] solver, API for high-performance depletion, new keyword input format)• Extension of the maximum mixture number to values well beyond the previous limit of 2147 to ~2 billion,• Nuclear data formats enabling the use of more than 999 energy groups,• Updated standard composition library to provide more accurate use of natural abundances, andvi• Numerous other enhancements for improved usability and stability.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2013

Computer simulation of liquid-vapor coexistence of confined quantum fluids

The liquid-vapor coexistence (LV) of bulk and confined quantum fluids has been studied by Monte Carlo computer simulation for particles interacting via a semiclassical effective pair potential V{sub eff}(r) = V{sub LJ} + V{sub Q}, where V{sub LJ} is the Lennard-Jones 12-6 potential (LJ) and V{sub Q} is the first-order Wigner-Kirkwood (WK-1) quantum potential, that depends on β = 1/kT and de Boer's quantumness parameter Λ=h/σ√(mε), where k and h are the Boltzmann's and Planck's constants, respectively, m is the particle's mass, T is the temperature of the system, and σ and ε are the LJ potential parameters. The non-conformal properties of the system of particles interacting via the effective pair potential V{sub eff}(r) are due to Λ, since the LV phase diagram is modified by varying Λ. We found that the WK-1 system gives an accurate description of the LV coexistence for bulk phases of several quantum fluids, obtained by the Gibbs Ensemble Monte Carlo method (GEMC). Confinement effects were introduced using the Canonical Ensemble (NVT) to simulate quantum fluids contained within parallel hard walls separated by a distance L{sub p}, within the range 2σ ⩽ L{sub p} ⩽ 6σ. The critical temperature of the system is reduced by decreasing L{sub p} and increasing Λ, and the liquid-vapor transition is not longer observed for L{sub p}/σ < 2, in contrast to what has been observed for the classical system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A framework for stochastic simulation of distribution practices for hotel reservations

The focus of this study is primarily on the Greek hotel industry. The objective is to design and develop a framework for stochastic simulation of reservation requests, reservation arrivals, cancellations and hotel occupancy with a planning horizon of a tourist season. In Greek hospitality industry there have been two competing policies for reservation planning process up to 2003: reservations coming directly from customers and a reservations management relying on tour operator(s). Recently the Internet along with other emerging technologies has offered the potential to disrupt enduring distribution arrangements. The focus of the study is on the choice of distribution intermediaries. We present an empirical model for the hotel reservation planning process that makes use of a symbolic simulation, Monte Carlo method, as, requests for reservations, cancellations, and arrival rates are all sources of uncertainty. We consider as a case study the problem of determining the optimal booking strategy for a medium size hotel in Skiathos Island, Greece. Probability distributions and parameters estimation result from the historical data available and by following suggestions made in the relevant literature. The results of this study may assist hotel managers define distribution strategies for hotel rooms and evaluate the performance of the reservations management system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Analytical model of diffuse reflectance spectrum of skin tissue

We have derived simple analytical expressions that enable highly accurate calculation of diffusely reflected light signals of skin in the spectral range from 450 to 800 nm at a distance from the region of delivery of exciting radiation. The expressions, taking into account the dependence of the detected signals on the refractive index, transport scattering coefficient, absorption coefficient and anisotropy factor of the medium, have been obtained in the approximation of a two-layer medium model (epidermis and dermis) for the same parameters of light scattering but different absorption coefficients of layers. Numerical experiments on the retrieval of the skin biophysical parameters from the diffuse reflectance spectra simulated by the Monte Carlo method show that commercially available fibre-optic spectrophotometers with a fixed distance between the radiation source and detector can reliably determine the concentration of bilirubin, oxy- and deoxyhaemoglobin in the dermis tissues and the tissue structure parameter characterising the size of its effective scatterers. We present the examples of quantitative analysis of the experimental data, confirming the correctness of estimates of biophysical parameters of skin using the obtained analytical expressions. (biophotonics)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Calculation and use of pointwise effective cross-sections in the unresolved resonance region - 14605

The pointwise neutron elastic scattering, absorption, fission and total cross-sections in the Unresolved Resonance Region (URR) can be calculated with a code C-007 [1]. The volume of these data is large and estimated to make about 106 numbers for each of the reactions. These data volumes may cause time and memory problems in solving radiation transport by the Monte Carlo method. There are methods to thin the data. These are, for example, the widely used probability tables [2] and subgroups [3]. The paper offers another data thinning approach which was successfully used for the Resolved Resonance Region (RRR) [4,5]. It transforms the pointwise resonance cross-sections into the pointwise monotone ones within some energy intervals with the use of cross-section probability distribution functions P(σ). A similar approach was used to calculate pointwise cross-sections in the URR [6]. (authors)

42 ENGINEERING↗
DOE OSTI2015

WE-D-BRA-03: Four-Dimensional Dose Reconstruction Through Retrospective Phase Determination Using Cine Images of Electronic Portal Imaging Device

Purpose: To test a method to reconstruct a four-dimensional (4D) dose distribution using the correlation of pre-calculated 4D electronic portal imaging device (EPID) images and measured cine-EPID images. Methods: 1. A phantom designed to simulate a tumor in lung (a polystyrene block with 3.0 cm diameter embedded in cork) was placed on a sinusoidally moving platform with 2 cm amplitude and 4 sec/cycle. Ten-phase 4D CT images were acquired for treatment planning and dose reconstruction. A 6MV photon beam was irradiated on the phantom with static (field size=5×8.5 cm{sup 2}) and dynamic fields (sliding windows, 10×10 cm{sup 2}, X1 MLC closing in parallel with the tumor movement). 2. 4D and 3D doses were calculated forwardly on PTV (1 cm margin). 3. Dose images on EPID under the fields were calculated for 10 phases. 4. Cine EPID images were acquired during irradiation. 5. Their acquisition times were correlated to the phases of the phantom at which irradiation occurred by inter-comparing calculated “reference” EPID images with measured images (2D gamma comparison). For the dynamic beam, the tumor was hidden under MLCs during a portion of irradiation time; the correlation performed when the tumor was visible was extrapolated. 6. Dose for each phase was reconstructed on the 4D CT images and summed over all phases. The summation was compared with forwardly calculated 4D and 3D dose distributions. Monte Carlo methods were used for all calculations. Results: For the open and dynamic beams, the 4D reconstructed doses showed the pass rates of 92.7 % and 100 %, respectively, at the isocenter plane given 3% / 3 mm criteria. The better agreement of the dynamic beam was from its dose gradient which blurred the otherwise sharp difference between forward and reconstructed doses. This also contributed slightly better agreement in DVH of PTV. Conclusion: The feasibility of 4D reconstruction was demonstrated.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Nonlinear interaction of a ferromagnet with a high-temperature superconductor

The interaction of an Abrikosov vertex with a ferromagnetic substrate is taken into account in the model of a layered high-temperature superconductor (HTSC). The magnetization reversal loops are calculated by the Monte Carlo method for various values of the magnetic moment of the substrate and at various temperatures. The nonlinearity of the interaction of the superconductor with the ferromagnet is demonstrated. The magnetization of HTSC films on magnetic and nonmagnetic substrates is measured. It is found that the ferromagnetism of the substrate strongly affects the shape and magnitude of the magnetization of the HTSC-substrate composite. Experimental data are found to correlate with the results of calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Simulation of electron transport in GaAs/AlAs superlattices with a small number of periods for the THz frequency range

The electron transport in superlattices based on GaAs/AlAs heterostructures with a small number of periods (6 periods) is calculated by the Monte Carlo method. These superlattices are used in terahertz diodes for the frequency stabilization of quantum cascade lasers in the range up to 4.7 THz. The band structure of superlattices with different numbers of AlAs monolayers is considered and their current–voltage characteristics are calculated. The calculated current–voltage characteristics are compared with the experimental data. The possibility of the efficient application of these superlattices in the THz frequency range is established both theoretically and experimentally.

36 MATERIALS SCIENCE↗
DOE OSTI2015

AN ANALYSIS OF CHANDRA DEEP FOLLOW-UP GAMMA-RAY BURSTS: IMPLICATIONS FOR OFF-AXIS JETS

We present a sample of 27 gamma-ray bursts (GRBs) with detailed Swift light curves supplemented by late-time Chandra observations. To answer the missing jet-break problem in general, we develop a numerical-simulation-based model that can be directly fit to the data using Monte Carlo methods. Our numerical model takes into account all the factors that can shape a jet break: (i) lateral expansion, (ii) edge effects, and (iii) off-axis effects. Our results provide improved fits to the light curves and constraints on physical parameters. More importantly, our results suggest that off-axis effects are important and must be included in interpretations of GRB jet breaks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Dosimetry of cone-defined stereotactic radiosurgery fields with a commercial synthetic diamond detector

Purpose: Small field x-ray beam dosimetry is difficult due to lack of lateral electronic equilibrium, source occlusion, high dose gradients, and detector volume averaging. Currently, there is no single definitive detector recommended for small field dosimetry. The objective of this work was to evaluate the performance of a new commercial synthetic diamond detector, namely, the PTW 60019 microDiamond, for the dosimetry of small x-ray fields as used in stereotactic radiosurgery (SRS). Methods: Small field sizes were defined by BrainLAB circular cones (4–30 mm diameter) on a Novalis Trilogy linear accelerator and using the 6 MV SRS x-ray beam mode for all measurements. Percentage depth doses (PDDs) were measured and compared to an IBA SFD and a PTW 60012 E diode. Cross profiles were measured and compared to an IBA SFD diode. Field factors, Ω{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}}, were calculated by Monte Carlo methods using BEAMnrc and correction factors, k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}}, were derived for the PTW 60019 microDiamond detector. Results: For the small fields of 4–30 mm diameter, there were dose differences in the PDDs of up to 1.5% when compared to an IBA SFD and PTW 60012 E diode detector. For the cross profile measurements the penumbra values varied, depending upon the orientation of the detector. The field factors, Ω{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}}, were calculated for these field diameters at a depth of 1.4 cm in water and they were within 2.7% of published values for a similar linear accelerator. The corrections factors, k{sub Q{sub c{sub l{sub i{sub n,Q{sub m{sub s{sub r}{sup f{sub c}{sub l}{sub i}{sub n},f{sub m}{sub s}{sub r}}}}}}}}}, were derived for the PTW 60019 microDiamond detector. Conclusions: The authors conclude that the new PTW 60019 microDiamond detector is generally suitable for relative dosimetry in small 6 MV SRS beams for a Novalis Trilogy linear equipped with circular cones.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2016

Solving the master equation without kinetic Monte Carlo: Tensor train approximations for a CO oxidation model

In multiscale modeling of heterogeneous catalytic processes, one crucial point is the solution of a Markovian master equation describing the stochastic reaction kinetics. Usually, this is too high-dimensional to be solved with standard numerical techniques and one has to rely on sampling approaches based on the kinetic Monte Carlo method. In this study we break the curse of dimensionality for the direct solution of the Markovian master equation by exploiting the Tensor Train Format for this purpose. The performance of the approach is demonstrated on a first principles based, reduced model for the CO oxidation on the RuO{sub 2}(110) surface. We investigate the complexity for increasing system size and for various reaction conditions. The advantage over the stochastic simulation approach is illustrated by a problem with increased stiffness.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Characterizations of the radioactive waste by the remotely-controlled collimated spectrometric system

Decontamination and decommissioning of the research reactors MR (Testing Reactor) and RFT (Reactor of Physics and Technology) has recently been initiated in the National Research Center (NRC) 'Kurchatov institute', Moscow. In the building, neighboring to the reactor, the storage of HLRW is located. The storage is made of monolithic concrete in which steel cells depth 4 m are located. In cells of storage the HLRW packed into cases are placed. These the radioactive waste are also subject to export on long storage in the specialized organization. For characterization of the radioactive waste in cases the remote-controlled collimated spectrometer system was used. The system consists of a spectrometric collimated gamma-ray detector, a color video camera and a control unit, mounted on a rotator, which are mounted on a tripod with the host computer. For determination of specific activity of radionuclides in cases, it is developed programs of calculation of coefficients of proportionality of specific activity to the corresponding speeds of the account in peaks of full absorption at single specific activity of radionuclides in cases. For determination of these coefficients the mathematical model of spectrometer system based on the Monte-Carlo method was used. Dependences of calibration coefficients for various radionuclides from distance between the detector and a case at various values of the radioactive waste density in cases are given. Measurements of specific activity in cases are taken and are discussed. By results of measurements decisions on the appeal of the radioactive waste being in cases are made. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Thermodynamic and Magnetic Properties of the Two-Dimensional Anisotropic Ising Model with Competing Interactions

The two-dimensional anisotropic Ising model with competing interactions is studied on a square lattice by Monte Carlo methods using the Wang–Landau algorithm. The temperature dependences of the main thermodynamic and magnetic parameters are calculated. The distinctive features of temperature dependences of these parameters for different values of the competing interaction are shown. The dependences of the wave number of modulated structures on the ratio of exchange interaction parameters are plotted. The phase diagram of the model is built. The coordinates of the Lifshits point and the localization region of the phases with different wave vector values are calculated by interpolating phase boundaries of the d-iagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Lead geometry and transport statistics in molecular junctions

We present a numerically exact study of charge transport and its fluctuations through a molecular junction driven out of equilibrium by a bias voltage, using the inchworm quantum Monte Carlo method. After showing how the technique can be used to address any lead geometry, we concentrate on one dimensional chains as an example. The finite bandwidth of the leads is shown to affect transport properties in ways that cannot be fully captured by quantum master equations: in particular, we reveal an interaction-induced broadening of transport channels that is visible at all voltages and show how fluctuations of the current are a more sensitive probe of this effect than the mean current.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Mixed inflaton and spectator field models: CMB constraints and μ distortion

We discuss mixed inflaton and spectator field models where both the fields are responsible for the observed density fluctuations. We combine the angular power spectrum of the CMB temperature anisotropy from the Planck 2013 result and other ground-based CMB observations in order to constrain both the general mixed model as well as some specific representative scenarios. Based on the Markov Chain Monte Carlo method, in addition to constraints on model parameters, we obtain the predictive posterior distributions of the CMB spectral μ distortion for those models. We demonstrate that the standard single-field inflaton model typically predicts μ ∼ 10{sup −8} with a relatively narrow distribution, whereas for the mixed models, the distribution turns out to be much broader, and μ could be larger by almost an order of magnitude. Hence future experiments of μ distortion could provide a tool for the critical testing of the mixed source models of the primordial perturbation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Prompt Neutron Decay Constants in a Highly Enriched Uranium-Lead Copper Reflected System

Rossi-{alpha} measurements were performed on highly enriched uranium (HEU)-lead copper reflected systems to determine the prompt neutron decay constants. These constants represent an eigenvalue characteristic of these particular critical configurations, which can be experimentally measured by the Rossi-a or pulse neutron source techniques and calculated by a deterministic or Monte Carlo method. In the measurements presented in this summary, highly enriched uranium interleaved with lead plates and reflected with copper were assembled to a high multiplication and the prompt neutron decay constants were determined by the Rossi-{alpha} technique. This research intended to benchmark the lead neutron cross sections; it was a collaboration between the Japanese Atomic Energy Agency (JAEA) Fast Critical Assembly Facility (FCA) in Tokai, Japan and the Los Alamos National Laboratory (LANL) in the U.S. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Electronic and Magnetic Investigations on Fe{sub 2}NiTe Alloy with High Curie Temperature

Full-potential local-orbital minimum-basis and spin-polarized relativistic Korringa-Kohn-Rostoker along with Monte Carlo simulations are applied to study the electronic and magnetic properties of Fe{sub 2}NiTe with Hg{sub 2}CuTi structure. The analysis of orbital population shows the electrons of 4s, 3d, 4d, and 4p from transition metal and 5s, 5d, and 5p from Te atom participating in bonding. It is demonstrated by the density of states of d-d and p-d hybridizations. Calculations show the magnetic moment is carried mainly by Fe atoms. Accordingly, the exchanges of Fe constituents play a leading role in interactions. By using the calculated Heisenberg exchange coupling parameters, the Curie temperature is estimated to be 761.38 K within mean-field approximation. In order to obtain more accurate value of the Curie temperature, Monte Carlo method is adopted to model the normalized magnetization as functions of the temperature, the obtained 507.93 K value is noticeably higher than the room temperature, which is favorable in realistic spintronics application. Finally, the magnetic moments, exchange interactions, and Curie temperatures in the range of 5.4 to 6.5 Å are calculated; the results implies the Curie temperatures are still above room temperature between given lattice intervals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗