Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Monte Carlo Methods”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Search for the Heisenberg spin glass on rewired square lattices with antiferromagnetic interaction

Spin glass (SG) is a typical magnetic system with frozen random spin orientation at low temperatures. The system exhibits rich physical properties, such as infinite number of ground states, memory effect, and aging phenomena. There are two main ingredients considered to be pivotal for the existence of SG behavior, namely, frustration and randomness. For the canonical SG system, frustration is led by the presence of competing interaction between ferromagnetic (FM) and antiferromagnetic (AF) couplings. Previously, Bartolozzi et al. [Phys. Rev. B73, 224419 (2006)], reported the SG properties of the AF Ising spins on scale free network (SFN). It is a new type of SG, different from the canonical one which requires the presence of both FM and AF couplings. In this new system, frustration is purely caused by the topological factor and its randomness is related to the irregular connectvity. Recently, Surungan et. al. [Journal of Physics: Conference Series, 640, 012001 (2015)] reported SG bahavior of AF Heisenberg model on SFN. We further investigate this type of system by studying an AF Heisenberg model on rewired square lattices. We used Replica Exchange algorithm of Monte Carlo Method and calculated the SG order parameter to search for the existence of SG phase.

36 MATERIALS SCIENCE↗
DOE OSTI2013

RELAXATION OF BLAZAR-INDUCED PAIR BEAMS IN COSMIC VOIDS

The stability properties of a low-density ultrarelativistic pair beam produced in the intergalactic medium (IGM) by multi-TeV gamma-ray photons from blazars are analyzed. The problem is relevant for probes of magnetic field in cosmic voids through gamma-ray observations. In addition, dissipation of such beams could considerably affect the thermal history of the IGM and structure formation. We use a Monte Carlo method to quantify the properties of the blazar-induced electromagnetic shower, in particular the bulk Lorentz factor and the angular spread of the pair beam generated by the shower, as a function of distance from the blazar itself. We then use linear and nonlinear kinetic theory to study the stability of the pair beam against the growth of electrostatic plasma waves, employing the Monte Carlo results for our quantitative estimates. We find that the fastest growing mode, like any perturbation mode with even a very modest component perpendicular to the beam direction, cannot be described in the reactive regime. Due to the effect of nonlinear Landau damping, which suppresses the growth of plasma oscillations, the beam relaxation timescale is found to be significantly longer than the inverse Compton loss time. Finally, density inhomogeneities associated with cosmic structure induce loss of resonance between the beam particles and plasma oscillations, strongly inhibiting their growth. We conclude that relativistic pair beams produced by blazars in the IGM are stable on timescales that are long compared with the electromagnetic cascades. There appears to be little or no effect of pair beams on the IGM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A Parametric Study of the Adjoint Flux Calculation for TDKENO

TDKENO is a time-dependent transport code designed to simulate reactor transients. One application is to study experiments performed at the Transient Reactor Test Facility (TREAT) at the Idaho National Laboratory (INL). TDKENO solves the time-dependent, three-dimensional Boltzmann transport equation with explicit representation of delayed neutrons. Instead of directly integrating this equation, the Improved Quasi Static (IQS) method is employed. This involves factoring the neutron flux into two components - a rapidly varying (in time) amplitude equation and a slowly varying shape equation. These are solved separately on different time scales. The shape equation is solved using the Monte Carlo transport code KENO, from Oak Ridge National Laboratory's SCALE code package. Using the Monte Carlo method to solve the shape equation is computationally intensive, but the operation is only performed when needed - namely when the reactor system is undergoing a significant change. The amplitude equation is solved deterministically. This operation contains the time dependence and can be calculated relatively quickly, resulting in computational savings. TDKENO begins by solving the adjoint form of the transport equation for use as a weighting function. It uses this adjoint flux for multiple aspects of the simulation, including the calculation of all of the point kinetics parameters . The flux shape is found by solving a modified form of the transport equation in 'forward' mode. This paper examines the effect the adjoint weighting function has on the solution. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2013

Calculated organ doses using Monte Carlo simulations in a reference male phantom undergoing HDR brachytherapy applied to localized prostate carcinoma

Purpose: The aim of this study was to obtain equivalent doses in radiosensitive organs (aside from the bladder and rectum) when applying high-dose-rate (HDR) brachytherapy to a localized prostate carcinoma using {sup 60}Co or {sup 192}Ir sources. These data are compared with results in a water phantom and with expected values in an infinite water medium. A comparison with reported values from proton therapy and intensity-modulated radiation therapy (IMRT) is also provided. Methods: Monte Carlo simulations in Geant4 were performed using a voxelized phantom described in International Commission on Radiological Protection (ICRP) Publication 110, which reproduces masses and shapes from an adult reference man defined in ICRP Publication 89. Point sources of {sup 60}Co or {sup 192}Ir with photon energy spectra corresponding to those exiting their capsules were placed in the center of the prostate, and equivalent doses per clinical absorbed dose in this target organ were obtained in several radiosensitive organs. Values were corrected to account for clinical circumstances with the source located at various positions with differing dwell times throughout the prostate. This was repeated for a homogeneous water phantom. Results: For the nearest organs considered (bladder, rectum, testes, small intestine, and colon), equivalent doses given by {sup 60}Co source were smaller (8%-19%) than from {sup 192}Ir. However, as the distance increases, the more penetrating gamma rays produced by {sup 60}Co deliver higher organ equivalent doses. The overall result is that effective dose per clinical absorbed dose from a {sup 60}Co source (11.1 mSv/Gy) is lower than from a {sup 192}Ir source (13.2 mSv/Gy). On the other hand, equivalent doses were the same in the tissue and the homogeneous water phantom for those soft tissues closer to the prostate than about 30 cm. As the distance increased, the differences of photoelectric effect in water and soft tissue, and appearance of other materials such as air, bone, or lungs, produced variations between both phantoms which were at most 35% in the considered organ equivalent doses. Finally, effective doses per clinical absorbed dose from IMRT and proton therapy were comparable to those from both brachytherapy sources, with brachytherapy being advantageous over external beam radiation therapy for the furthest organs. Conclusions: A database of organ equivalent doses when applying HDR brachytherapy to the prostate with either {sup 60}Co or {sup 192}Ir is provided. According to physical considerations, {sup 192}Ir is dosimetrically advantageous over {sup 60}Co sources at large distances, but not in the closest organs. Damage to distant healthy organs per clinical absorbed dose is lower with brachytherapy than with IMRT or protons, although the overall effective dose per Gy given to the prostate seems very similar. Given that there are several possible fractionation schemes, which result in different total amounts of therapeutic absorbed dose, advantage of a radiation treatment (according to equivalent dose to healthy organs) is treatment and facility dependent.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Self-evolving atomistic kinetic Monte Carlo simulations of defects in materials

The recent development of on-the-fly atomistic kinetic Monte Carlo methods has led to an increased amount attention on the methods and their corresponding capabilities and applications. In this review, the framework and current status of Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) are discussed. SEAKMC particularly focuses on defect interaction and evolution with atomistic details without assuming potential defect migration/interaction mechanisms and energies. The strength and limitation of using an active volume, the key concept introduced in SEAKMC, are discussed. Potential criteria for characterizing an active volume are discussed and the influence of active volume size on saddle point energies is illustrated. A procedure starting with a small active volume followed by larger active volumes was found to possess higher efficiency. Applications of SEAKMC, ranging from point defect diffusion, to complex interstitial cluster evolution, to helium interaction with tungsten surfaces, are summarized. A comparison of SEAKMC with molecular dynamics and conventional object kinetic Monte Carlo is demonstrated. Overall, SEAKMC is found to be complimentary to conventional molecular dynamics, especially when the harmonic approximation of transition state theory is accurate. However it is capable of reaching longer time scales than molecular dynamics and it can be used to systematically increase the accuracy of other methods such as object kinetic Monte Carlo. Furthermore, the challenges and potential development directions are also outlined.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Size and surface effects on the magnetism of magnetite and maghemite nanoparticles

The size effects of magnetite and maghemite nanoparticles on their magnetic properties (magnetic moment, Curie temperature, blocking temperature, etc.) have been investigated. Magnetic separation and centrifugation of an aqueous solution of nanoparticles were used for their separation into fractions; their sizes were measured by atomic force microscopy, dynamic light scattering, and electron microscopy. A change in the size leads to a change in the Curie temperature and magnetic moment per formula unit. Both native nanoparticles and those covered with a bioresorbable layer have been considered. The magnetic properties have been calculated by the Monte Carlo method for the classical Heisenberg model with various bulk and surface magnetic moments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Short-time dynamics of Fe{sub 2}/V{sub 13} magnetic superlattice models

Critical relaxation from a low-temperature fully ordered state of Fe{sub 2}/V{sub 13} iron-vanadium magnetic superlattice models has been studied using the method of short-time dynamics. Systems with three variants of the ratio R of inter-to intralayer exchange coupling have been considered. Particles with N = 262144 spins have been simulated with periodic boundary conditions. Calculations have been performed using the standard Metropolis algorithm of the Monte Carlo method. The static critical exponents of magnetization and correlation radius, as well as the dynamic critical exponent, have been calculated for three R values. It is established that a small decrease in the exchange ratio (from R = 1.0 to 0.8) does not significantly influence the character of the short-time dynamics in the models studied. A further significant decrease in this ratio (to R = 0.01), for which a transition from three-dimensional to quasi-two-dimensional magnetism is possible, leads to significant changes in the dynamic behavior of iron-vanadium magnetic superlattice models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Nuclear Data Uncertainty Quantification for Adjoint-Weighted Quantities via XGPT in Monte Carlo Codes

The Total Monte Carlo method (TMC) is an innovative approach to nuclear data uncertainty propagation. In TMC, a large number of independent ENDF files are randomly generated starting from nuclear models parameters and their uncertainties. These files are then processed with NJOY or similar codes to produce a set of formatted continuous-energy cross sections (i.e., ACE files), and independent Monte Carlo neutron transport simulations are run with these different ACE files as input. Finally the distributions of the considered response functions are obtained directly from the results of the Monte Carlo runs. Despite several improvements of the TMC method, this approach is often considered an inefficient way of propagating nuclear data uncertainties, as it requires several computationally expensive Monte Carlo runs. Covariance-based methods present important advantages for several applications, especially when different sources of uncertainties are to be investigated. For this reason, sensitivity analysis and uncertainty quantification capabilities are being implemented in several Monte Carlo neutron transport codes. On the other hand, the fact that no artificial multi-group covariance matrices are required and that higher moments of the responses distributions can be easily obtained, are definite advantages of the TMC method. In an effort to overcome the limitations of both approaches, a new method, called eXtended Generalized Perturbation Theory (XGPT) is under development. When performing nuclear data uncertainty propagation, such XGPT approach does not require generating discretized (i.e., multigroup) covariance matrices, and allows to estimate higher moments of the response probability distributions, via linear perturbation theory. One of the promising applications of the XGPT method involves its adoption in conjunction with the Proper Orthogonal Decomposition (POD) of nuclear data, to build a Reduced Order Model (ROM) for the approximation of thousands of independent TMC results in a single criticality source simulation. In the present work, this approach is employed for the first time to evaluate the impact of uncertainty in nuclear data on adjoint-weighted quantities. The method has been implemented in an extended version of the Serpent-2.1.24 Monte Carlo code and is demonstrated on two fast spectrum benchmarks, focusing on {sup 208}Pb nuclear data. A new method for propagating nuclear data uncertainties in criticality source Monte Carlo simulations has been developed. This eXtended Generalized Perturbation Theory (XGPT) approach allows to accurately reproduce reference Total Monte Carlo (TMC) uncertainty estimates in a single criticality source simulation. The present work aims to demonstrate that the proposed method can quantify nuclear data uncertainty based on adjoint-weighted quantities. The XGPT approach was applied to evaluate the impact of {sup 208}Pb nuclear data uncertainties on the effective prompt neutron lifetime (l{sub eff}) in two fast spectrum systems. The obtained XGPT results show a good agreement with the reference TMC results, obtained from independent Monte Carlo runs with {sup 208}Pb nuclear data from random TENDL-2013 evaluations. The XGPT method, implemented in a extended version of the Serpent Monte Carlo code and adopted along with the Proper Orthogonal Decomposition (POD) of the nuclear data, is able to provide an accurate reduced order model to approximate thousands TMC results within a single run, ensuring a large saving in computational requirements. The effect of {sup 208}Pb nuclear data uncertainties appears to be rather large. This is consistent with previous studies that adopted the same input random evaluations data from TENDL. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Methods for Bayesian power spectrum inference with galaxy surveys

We derive and implement a full Bayesian large scale structure inference method aiming at precision recovery of the cosmological power spectrum from galaxy redshift surveys. Our approach improves upon previous Bayesian methods by performing a joint inference of the three-dimensional density field, the cosmological power spectrum, luminosity dependent galaxy biases, and corresponding normalizations. We account for all joint and correlated uncertainties between all inferred quantities. Classes of galaxies with different biases are treated as separate subsamples. This method therefore also allows the combined analysis of more than one galaxy survey. In particular, it solves the problem of inferring the power spectrum from galaxy surveys with non-trivial survey geometries by exploring the joint posterior distribution with efficient implementations of multiple block Markov chain and Hybrid Monte Carlo methods. Our Markov sampler achieves high statistical efficiency in low signal-to-noise regimes by using a deterministic reversible jump algorithm. This approach reduces the correlation length of the sampler by several orders of magnitude, turning the otherwise numerically unfeasible problem of joint parameter exploration into a numerically manageable task. We test our method on an artificial mock galaxy survey, emulating characteristic features of the Sloan Digital Sky Survey data release 7, such as its survey geometry and luminosity-dependent biases. These tests demonstrate the numerical feasibility of our large scale Bayesian inference frame work when the parameter space has millions of dimensions. This method reveals and correctly treats the anti-correlation between bias amplitudes and power spectrum, which are not taken into account in current approaches to power spectrum estimation, a 20% effect across large ranges in k space. In addition, this method results in constrained realizations of density fields obtained without assuming the power spectrum or bias parameters in advance.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Simulation of the Parameters of a Titanium-Tritide-Based Beta-Voltaic Cell

The simulation of β-voltaic power cells consisting of a combined β-source and a converter was performed. The TiT{sub 2} compound containing the radioactive tritium isotope was selected as the source. As the converter, structures based on semiconductor materials, most commonly used in developing power cells, i.e., Si, SiC, GaAs, were considered. Using the Monte Carlo method, the main source parameters were calculated, in particular, the maximum achievable short-circuit current was estimated.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Phase Transitions and the Thermodynamic Properties of the Potts Model with the Number of Spin States q = 4 on a Triangular Lattice

The phase transitions and the thermodynamic properties of the two-dimensional ferromagnetic Potts model with the number of spin states q = 4 on a triangular lattice are studied on the base of the Wang–Landau algorithm of the Monte Carlo method. The phase transition characters are analyzed using the method of the four-order Binder cumulants and the histogram analysis of the data. It is found that a first-order phase transition is observed in the model under study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Sci—Thur PM: Planning and Delivery — 03: Automated delivery and quality assurance of a modulated electron radiation therapy plan

Modulated electron radiation therapy (MERT) offers the potential to improve healthy tissue sparing through increased dose conformity. Challenges remain, however, in accurate beamlet dose calculation, plan optimization, collimation method and delivery accuracy. In this work, we investigate the accuracy and efficiency of an end-to-end MERT plan and automated-delivery workflow for the electron boost portion of a previously treated whole breast irradiation case. Dose calculations were performed using Monte Carlo methods and beam weights were determined using a research-based treatment planning system capable of inverse optimization. The plan was delivered to radiochromic film placed in a water equivalent phantom for verification, using an automated motorized tertiary collimator. The automated delivery, which covered 4 electron energies, 196 subfields and 6183 total MU was completed in 25.8 minutes, including 6.2 minutes of beam-on time with the remainder of the delivery time spent on collimator leaf motion and the automated interfacing with the accelerator in service mode. The delivery time could be reduced by 5.3 minutes with minor electron collimator modifications and the beam-on time could be reduced by and estimated factor of 2–3 through redesign of the scattering foils. Comparison of the planned and delivered film dose gave 3%/3 mm gamma pass rates of 62.1, 99.8, 97.8, 98.3, and 98.7 percent for the 9, 12, 16, 20 MeV, and combined energy deliveries respectively. Good results were also seen in the delivery verification performed with a MapCHECK 2 device. The results showed that accurate and efficient MERT delivery is possible with current technologies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Experimental and theoretical study of the near IR emission of xenon excited by a fast electron beam

Emission of xenon excited by a 120-keV electron beam at gas pressures of 100, 200, 500, and 760 Torr nm was studied experimentally and theoretically. More than 30 spectral lines were identified in the wavelength range of 750–1000 nm. A self-consistent kinetic model is developed to calculate the emission intensity of xenon atoms in the near IR range. The model includes balance equations for the number densities of electrons, ions and excimer molecules; equations for the populations of electron levels; and the Boltzmann equation for the low-energy part of the electron energy distribution function with a source of slow electrons. Excitation and ionization rates of xenon by the beam electrons and the energy spectrum of slow electrons are calculated by the Monte Carlo method. It is shown that, under these conditions, the main mechanism of xenon atom excitation is dissociative recombination of Xe{sub 3}{sup +} ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

SU-C-BRE-07: Sensitivity Analysis of the Threshold Energy for the Creation of Strand Breaks and of Single and Double Strand Break Clustering Conditions

Purpose: To analyse the sensitivity of the creation of strand breaks (SB) to the threshold energy (Eth) and thresholding method and to quantify the impact of clustering conditions on single strand break (SSB) and double strand break (DSB) yields. Methods: Monte Carlo simulations using Geant4-DNA were conducted for electron tracks of 280 eV to 220 keV in a geometrical DNA model composed of nucleosomes of 396 phospho-diester groups (PDGs) each. A strand break was created inside a PDG when the sum of all energy deposits (method 1) or energy transfers (method 2) was higher than Eth or when at least one interaction deposited (method 3) or transferred (method 4) an energy higher than Eth. SBs were then clustered into SSBs and DSBs using clustering scoring criteria from the literature and compared to our own. Results: The total number of SBs decreases as Eth is increased. In addition, thresholding on the energy transfers (methods 2 and 4) produces a higher SB count than when thresholding on energy deposits (methods 1 and 3). Method 2 produces a step-like function and should be avoided when attempting to optimize Eth. When SBs are grouped into damage patterns, clustering conditions can underestimated SSBs by up to 18 % and DSBs can be overestimated by up to 12 % compared to our own implementation. Conclusion: We show that two often underreported simulation parameters have a non-negligible effect on overall DNA damage yields. First more SBs are counted when using energy transfers to the PDG rather than energy deposits. Also, SBs grouped according to different clustering conditions can influence reported SSB and DSB by as much as 20%. Careful handling of these parameters is required when trying to compare DNA damage yields from different authors. Research funding from the governments of Canada and Quebec. PP acknowledges partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant number: 432290)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Brownian dynamics of confined rigid bodies

We introduce numerical methods for simulating the diffusive motion of rigid bodies of arbitrary shape immersed in a viscous fluid. We parameterize the orientation of the bodies using normalized quaternions, which are numerically robust, space efficient, and easy to accumulate. We construct a system of overdamped Langevin equations in the quaternion representation that accounts for hydrodynamic effects, preserves the unit-norm constraint on the quaternion, and is time reversible with respect to the Gibbs-Boltzmann distribution at equilibrium. We introduce two schemes for temporal integration of the overdamped Langevin equations of motion, one based on the Fixman midpoint method and the other based on a random finite difference approach, both of which ensure that the correct stochastic drift term is captured in a computationally efficient way. We study several examples of rigid colloidal particles diffusing near a no-slip boundary and demonstrate the importance of the choice of tracking point on the measured translational mean square displacement (MSD). We examine the average short-time as well as the long-time quasi-two-dimensional diffusion coefficient of a rigid particle sedimented near a bottom wall due to gravity. For several particle shapes, we find a choice of tracking point that makes the MSD essentially linear with time, allowing us to estimate the long-time diffusion coefficient efficiently using a Monte Carlo method. However, in general, such a special choice of tracking point does not exist, and numerical techniques for simulating long trajectories, such as the ones we introduce here, are necessary to study diffusion on long time scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

On choosing the order parameter of modulated magnetic structures

Long-period modulated structures in the anisotropic Ising model with competing interactions (the ANNNI model) are studied by Monte Carlo methods. A new order parameter in the form of modulated phase amplitude is proposed for describing modulated structures. It is shown that the properties of the modulated phase-paramagnetic phase transition can be investigated by using the amplitude as the order parameter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Simulation of Experiment on Measurement of Neutron Lifetime Using the Big Gravitational Trap of Ultracold Neutrons with the Absorber

At present, the experiment on measuring neutron lifetime using a big gravitational trap is being performed at Petersburg Nuclear Physics Institute. It is planned to achieve a measurement precision of 0.2 s, which is four times better than the best existing level of precision. The modified installation is simulated using the Monte Carlo method. It has been shown that the application of the absorber in the installation design increases the number of stored ultracold neutrons in the trap by a factor of approximately three and reduces the duration of the measurement cycle.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗