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Results for “Monte-Carlo Simulation”

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.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A comprehensive framework for validating simulation models of power system equipment using terminal measurements

Accurate simulation of power-plants is essential to the planning and operation of modern power grids. The current methods used to periodically check power-plant simulation models have many open questions about their limitations and accuracy. The research in this project explored using Monte-Carlo Experimentation (MCE) as a means for answering these important questions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Describing hadronization via histories and observables for Monte-Carlo event reweighting

We introduce a novel method for extracting a fragmentation model directly from experimental data without requiring an explicit parametric form, called Histories and Observables for Monte-Carlo Event Reweighting (HOMER), consisting of three steps: the training of a classifier between simulation and data, the inference of single fragmentation weights, and the calculation of the weight for the full hadronization chain. We illustrate the use of HOMER on a simplified hadronization problem, a q\bar{q} q q ‾ string fragmenting into pions, and extract a modified Lund string fragmentation function f(z) f ( z ) . We then demonstrate the use of HOMER on three types of experimental data: (i) binned distributions of high-level observables, (ii) unbinned event-by-event distributions of these observables, and (iii) full particle cloud information. After demonstrating that f(z) f ( z ) can be extracted from data (the inverse of hadronization), we also show that, at least in this limited setup, the fidelity of the extracted f(z) f ( z ) suffers only limited loss when moving from (i) to (ii) to (iii). Public code is available at https://gitlab.com/uchep/mlhad.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Emulation of quantum correlations by classical dynamics in a spin-$\frac{1}{2}$ Heisenberg chain

We simulate the dynamical spin structure factor (DSSF) 𝒮⁡(𝑞,𝜔) of the spin-1/2 Heisenberg antiferromagnetic chain using classical simulations. By employing Landau-Lifshitz Dynamics, we emulate quantum correlations through temperature-dependent corrections, including rescaling of magnetic dipoles and renormalization of exchange interactions. Here, our results closely match Quantum Monte-Carlo calculations for 𝑘 B⁢ 𝑇/𝐽≳1, extending the applicability of classical dynamics to the challenging case of gapless excitations. At higher temperatures, our simulations comply with general predictions for uncorrelated paramagnetic fluctuations in the infinite temperature limit. Entanglement witnesses derived from the quantum-equivalent DSSF act as sensitive diagnostics for the quantum-to-classical crossover. Their reliability stems from their dependence on spectral features alone, enabling classical dynamics to emulate quantum thresholds without genuine entanglement. This framework also reproduces transverse spin correlations in finite magnetic fields, in agreement with quantum simulations. Together, our results establish quantum-corrected classical dynamics as a scalable and predictive tool for interpreting scattering experiments and exploring quantum correlations in strongly correlated spin systems.

Inelastic neutron scattering↗
NASA NTRS1999

Simulation of Dynamics of PVT Growth: ZnSe

An unsteady model for the simulation of PVT growth process has been developed and applied to growth of ZnSe. The model is capable of tracking the unsteady aspects of the growth process caused by, for example, changes in the system temperature associated with growth, source-depletion, translation of the charge, out-gassing at high temperatures, as well as changes in the source composition during growth. The model predicts the evolution of growth interface morphology as well as the shape of source-gas interface. Thermo-fluid transport in the gas phase is handled by a Low-Mach number unsteady compressible flow formulation. Heat transfer in the crystal, source, and the quartz housing is calculated by the Monte-Carlo technique to capture the variations in the spectral transmittance and index of refraction of the participating media. Simulation results are presented for the growth interface morphology, thermal stresses in the crystal, and growth rate at various stages of growth. The influence of impurity gases on the growth process is also discussed, The simulation results are compared with the experimental observations. The capabilities of the developed tool in addressing other PVT growth processes such as SiC are discussed.

Worlikar, A.↗
NASA NTRS2001

Investigation of Nitride Morphology After Self-Aligned Contact Etch

Self-Aligned Contact (SAC) etch has emerged as a key enabling technology for the fabrication of very large-scale memory devices. However, this is also a very challenging technology to implement from an etch viewpoint. The issues that arise range from poor oxide etch selectivity to nitride to problems with post etch nitride surface morphology. Unfortunately, the mechanisms that drive nitride loss and surface behavior remain poorly understood. Using a simple langmuir site balance model, SAC nitride etch simulations have been performed and compared to actual etched results. This approach permits the study of various etch mechanisms that may play a role in determining nitride loss and surface morphology. Particle trajectories and fluxes are computed using Monte-Carlo techniques and initial data obtained from double Langmuir probe measurements. Etched surface advancement is implemented using a shock tracking algorithm. Sticking coefficients and etch yields are adjusted to obtain the best agreement between actual etched results and simulated profiles.

Hwang, Helen H.↗
NASA NTRS1973

Monte-Carlo analysis of rarefied-gas diffusion including variance reduction using the theory of Markov random walks

Molecular diffusion through a rarefied gas is analyzed by using the theory of Markov random walks. The Markov walk is simulated on the computer by using random numbers to find the new states from the appropriate transition probabilities. As the sample molecule during its random walk passes a scoring position, which is a location at which the macroscopic diffusing flow variables such as molecular flux and molecular density are desired, an appropriate payoff is scored. The payoff is a function of the sample molecule velocity. For example, in obtaining the molecular flux across a scoring position, the random walk payoff is the net number of times the scoring position has been crossed in the positive direction. Similarly, when the molecular density is required, the payoff is the sum of the inverse velocity of the sample molecule passing the scoring position. The macroscopic diffusing flow variables are then found from the expected payoff of the random walks.

Perlmutter, M.↗
NASA NTRS1982

A study of the feasibility of statistical analysis of airport performance simulation

The feasibility of conducting a statistical analysis of simulation experiments to study airport capacity is investigated. First, the form of the distribution of airport capacity is studied. Since the distribution is non-Gaussian, it is important to determine the effect of this distribution on standard analysis of variance techniques and power calculations. Next, power computations are made in order to determine how economic simulation experiments would be if they are designed to detect capacity changes from condition to condition. Many of the conclusions drawn are results of Monte-Carlo techniques.

Myers, R. H.↗
NASA NTRS1997

CGRO Guest Investigator Program

The following are highlights from the research supported by this grant: (1) Theory of gamma-ray blazars: We studied the theory of gamma-ray blazars, being among the first investigators to propose that the GeV emission arises from Comptonization of diffuse radiation surrounding the jet, rather than from the synchrotron-self-Compton mechanism. In related work, we uncovered possible connections between the mechanisms of gamma-ray blazars and those of intraday radio variability, and have conducted a general study of the role of Compton radiation drag on the dynamics of relativistic jets. (2) A Nonlinear Monte Carlo code for gamma-ray spectrum formation: We developed, tested, and applied the first Nonlinear Monte Carlo (NLMC) code for simulating gamma-ray production and transfer under much more general (and realistic) conditions than are accessible with other techniques. The present version of the code is designed to simulate conditions thought to be present in active galactic nuclei and certain types of X-ray binaries, and includes the physics needed to model thermal and nonthermal electron-positron pair cascades. Unlike traditional Monte-Carlo techniques, our method can accurately handle highly non-linear systems in which the radiation and particle backgrounds must be determined self-consistently and in which the particle energies span many orders of magnitude. Unlike models based on kinetic equations, our code can handle arbitrary source geometries and relativistic kinematic effects In its first important application following testing, we showed that popular semi-analytic accretion disk corona models for Seyfert spectra are seriously in error, and demonstrated how the spectra can be simulated if the disk is sparsely covered by localized 'flares'.

Begelman, Mitchell C.↗
NASA NTRS1990

Typical motions in multiple systems

In very old times, people counted - one, two, many. The author wants to show that they were right. Consider the motions of isolated bodies: (1) N = 1 - simple motion; (2) N = 2 - Keplerian orbits; and (3) N = 3 - this is the difficult problem. In general, this problem can be studied only by computer simulations. The author studied this problem over many years (see, e.g., Agekian and Anosova, 1967; Anosova, 1986, 1989 a,b). The principal result is that two basic types of dynamics take place in triple systems. The first special type is the stable hierarchical systems with two almost Keplerian orbits. The second general type is the unstable triple systems with complicated motions of the bodies. By random choice of the initial conditions, by the Monte-Carlo method, the stable systems comprised about approx. 10% of the examined cases; the unstable systems comprised the other approx. 90% of cases under consideration. In N greater than 3, the studies of dynamics of such systems by computer simulations show that we have in general also the motions roughly as at the cases 1 - 3 with the relative negative or positive energies of the bodies. In the author's picture, the typical trajectories of the bodies in unstable triple systems of the general type of dynamics are seen. Such systems are disrupted always after close triple approaches of the bodies. These approaches play a role like the gravitational slingshot. Often, the velocities of escapers are very large. On the other hand, the movie also shows the dynamical processes of a formation, dynamical evolution and disruption of the temporary wide binaries in triples and a formation of final hard massive binaries in the final evolution of triples.

Anosova, Joanna P.↗
DOE OSTI2025

Moment-preserving Monte-Carlo Coulomb collision method for particle codes

Binary-pairing Monte-Carlo methods are widely used in particle-in-cell codes to capture effects of small angle Coulomb collisions. These methods preserve momentum and energy exactly when the simulation particles have equal weights. However, when the interacting particles are of varying weight, these physical conservation laws are only preserved on average. Here, we 1) extend these methods to weighted particles such that the scattering physics is correct on average, and 2) describe a new method for adjusting the particle velocities post scatter to restore exact conservation of momentum and energy. In conclusion, the efficacy of the model is illustrated with various test problems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1960

An Exploratory Statistical Analysis of a Planet Approach-Phase Guidance Scheme Using Angular Measurements with Significant Error

An exploratory analysis of vehicle guidance during the approach to a target planet is presented. The objective of the guidance maneuver is to guide the vehicle to a specific perigee distance with a high degree of accuracy and minimum corrective velocity expenditure. The guidance maneuver is simulated by considering the random sampling of real measurements with significant error and reducing this information to prescribe appropriate corrective action. The instrumentation system assumed includes optical and/or infrared devices to indicate range and a reference angle in the trajectory plane. Statistical results are obtained by Monte-Carlo techniques and are shown as the expectation of guidance accuracy and velocity-increment requirements. Results are nondimensional and applicable to any planet within limits of two-body assumptions. The problem of determining how many corrections to make and when to make them is a consequence of the conflicting requirement of accurate trajectory determination and propulsion. Optimum values were found for a vehicle approaching a planet along a parabolic trajectory with an initial perigee distance of 5 radii and a target perigee of 1.02 radii. In this example measurement errors were less than i minute of arc. Results indicate that four corrections applied in the vicinity of 50, 16, 15, and 1.5 radii, respectively, yield minimum velocity-increment requirements. Thrust devices capable of producing a large variation of velocity-increment size are required. For a vehicle approaching the earth, miss distances within 32 miles are obtained with 90-percent probability. Total velocity increments used in guidance are less than 3300 feet per second with 90-percent probability. It is noted that the above representative results are valid only for the particular guidance scheme hypothesized in this analysis. A parametric study is presented which indicates the effects of measurement error size, initial perigee, and initial energy on the guidance requirements. Measurement error size significantly affects both guidance accuracy and velocity-increment expenditure. The initial trajectory, as given by its perigee and energy, affects the velocity-increment expenditure but not final guidance accuracy.

Friedlander, Alan L.↗
DOE OSTI2025

Data-Efficient Strategies for Probabilistic Voltage Envelopes under Network Contingencies

This work presents an efficient data-driven method to construct probabilistic voltage envelopes (PVE) using power flow learning in grids with network contingencies. First, a network-aware Gaussian process (GP) termed Vertex-Degree Kernel (VDK-GP), developed in prior work, is used to estimate voltage–power functions for a few network configurations. The paper introduces a novel multi-task vertex degree kernel (MT-VDK) that amalgamates the learned VDK-GPs to determine power flows for unseen networks, with a significant reduction in the computational complexity and hyperparameter requirements compared to alternate approaches. Simulations on the IEEE 30-Bus network demonstrate the retention and transfer of power flow knowledge in both N-1 and N-2 contingency scenarios. The MT-VDK-GP approach achieves over 50 % reduction in mean prediction error for novel N-1 contingency network configurations in low training data regimes (50–250 samples) over VDK-GP. Additionally, MT-VDK-GP outperforms a hyper-parameter based transfer learning approach in over 75 % of N-2 contingency network structures, even without historical N-2 outage data. Furthermore, the proposed method demonstrates the ability to achieve PVEs using sixteen times fewer power flow solutions compared to Monte-Carlo sampling-based methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2002

Partially Decentralized Control Architectures for Satellite Formations

In a partially decentralized control architecture, more than one but less than all nodes have supervisory capability. This paper describes an approach to choosing the number of supervisors in such au architecture, based on a reliability vs. cost trade. It also considers the implications of these results for the design of navigation systems for satellite formations that could be controlled with a partially decentralized architecture. Using an assumed cost model, analytic and simulation-based results indicate that it may be cheaper to achieve a given overall system reliability with a partially decentralized architecture containing only a few supervisors, than with either fully decentralized or purely centralized architectures. Nominally, the subset of supervisors may act as centralized estimation and control nodes for corresponding subsets of the remaining subordinate nodes, and act as decentralized estimation and control peers with respect to each other. However, in the context of partially decentralized satellite formation control, the absolute positions and velocities of each spacecraft are unique, so that correlations which make estimates using only local information suboptimal only occur through common biases and process noise. Covariance and monte-carlo analysis of a simplified system show that this lack of correlation may allow simplification of the local estimators while preserving the global optimality of the maneuvers commanded by the supervisors.

Carpenter, J. Russell↗
DOE OSTI2025

Enhancement of PyARC for Westinghouse Electric Company’s Lead Fast Reactor Design and Modeling (Final TCF Report)

Westinghouse Electric Company is a nuclear reactor vendor headquartered in the U.S. that is developing advanced reactor technology for the U.S. and global markets. Westinghouse has been relying on the neutronics Argonne Reactor Codes (ARC) executed through the NEAMS Workbench and its PyARC module that are developed under the DOE-NE Nuclear Energy Advanced Modeling and Simulation (NEAMS) and Advanced Reactor Technology (ART) – Fast Reactor programs. Through this user experience, Westinghouse identified several enhancements that would benefit the ARC codes’ usability by the US industry and therefore its commercialization potential. The enhancements were proposed to deliver both improvements in workflow and analysis capabilities to better support effective fast reactor core design and analysis to the nuclear industry. The PyARC workflow was extended in this project by integrating non-neutronic ARC codes DASSH and NUBOW-3D. The Ducted Assembly Steady-State Heat equation (DASSH) code is developed at ANL to perform steady-state thermal hydraulic sub-channel analysis in liquid metal fast reactor assemblies to determine optimized coolant flow and temperature distributions, which in this project was updated and validated for lead fast reactor (LFR) applications. The interface between REBUS and NUBOW-3D were improved in this project to assess the impact of the core restraint design and thermal induced expansion effects on the reactivity of the core, and to model the deformations of the fuel assemblies induced by temperature and irradiation. Finally, the ARC models that were extensively verified and validated through various SFR-based modeling benchmarks are extended in this project through code-to-code comparison on relevant LFR-specific neutronics benchmarks against Monte-Carlo neutronic solutions. Overall, this work enables verification of the capability of the ARC codes for a wide range of Generation-IV reactor designs. The outcome of this project is the release of a comprehensive modeling toolkit of validated, robust and efficient codes, as well as their user interface, that enables industry to perform a wide range of fast reactor analyses for design and licensing of their concepts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Decoupling thermal and irradiation effects on grain boundary segregation

Radiation-induced segregation (RIS) is most often measured by peak solute concentration at a boundary. However, this may give an incomplete picture of segregation quantity and phenomena. Radiation-induced and thermal segregation at grain boundaries was investigated in Fe-9.6 at.% Cr after 9 MeV Fe 3+ ion irradiation at 400 °C. The experimental results were compared to kinetic Monte Carlo (KMC) simulations. The study revealed that Cr enrichment (peak segregation) at the grain boundaries was comparable in both the irradiated and non-irradiated conditions, although irradiation resulted in broader segregation profiles in both experiments and simulations, indicating an overall increase in grain boundary segregation due to irradiation. This broadening is attributed to back diffusion into the grain interior. While it is an established phenomenon, this study offers a quantitative evaluation using experimental data and KMC modeling. Further, these results emphasize the importance of analyzing the entire segregation profile and decoupling the thermal and irradiation contributions to solute segregation.

Grain boundary segregation↗
DOE OSTI2026

Modeling and Experimental Demonstration of Flux Spreading in Light Trapping Planar-Cavity Solar Enclosed Particle Receivers

This study experimentally validates and numerically models the flux-spreading effect in a light-trapping planar-cavity solar receiver) for particle-based concentrating solar power systems. The receiver's shallow cavity with vertical planar walls redistributes concentrated solar flux, reducing peak intensity and achieving uniform heat flux. On-sun tests at National Renewable Energy Laboratory's High-Flux Solar Furnace under flux up to 1500 kW/m2 measured cavity wall temperatures, which were compared with Monte Carlo ray-tracing (SolTrace) and computational numerical simulations. Three angular absorptance models were evaluated: constant absorptance, a Pyromark-based directional model, and a Fresnel-based Cr2O3 model. The Fresnel-derived model showed the best agreement with experiments, achieving high correlation (PC > 0.85), structural similarity (SSIM > 0.98), and signal-to-noise ratios (PSNR > 40 dB), with temperature prediction errors of 1-11%. Results confirm that flux spreading mitigates local overheating and validate the integrated modeling approach, supporting the solar receiver scalability for high-efficiency, high-temperature concentrating solar power applications.

14 SOLAR ENERGY↗
DOE OSTI2025

Particle-based modelling of axisymmetric tandem mirror devices

In this work, we describe the use of a 1D-2V quasi-neutral hybrid electrostatic PIC with Monte-Carlo Coulomb collisions and non-uniform magnetic field to model the parallel transport and confinement in an axisymmetric tandem mirror device. End-plugs, based on simple-mirrors, are positioned at each end of the device and fueled with neutral beams (25 and 100 keV) to produce a sloshing ion population and increase the density of the end-plugs relative to the central cell. Results show the formation of a potential difference barrier between the central cell and the end-plugs. This potential confines a large fraction of the low energy thermal ions in the central cell which would otherwise be lost in a simple mirror, demonstrating the advantage of the beam-driven tandem mirror configuration relative to simple mirrors. In addition, we explore the effect of end-plug electron temperature on the confinement time of the device and compare it with theoretical estimates. Finally, we discuss the limitations of the code in its present form and describe the next logical steps to improve its predictive capability such as a fully nonlinear Fokker–Planck collision operator, multiply nested flux surface solutions and modeling the exhaust region up to the wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

Monte-Carlo model of pitch-angle scattering in solar cosmic ray events

Monte Carlo simulations of the propagation of solar cosmic-rays in interplanetary space are reported, including the effects of pitch-angle scattering and adiabatic focusing. Time intensity profiles agree well with the corresponding spatial diffusion approximation for models close to those used by Gombosi and Owens (1980). Monte Carlo simulations of the same model problem yield results that disagree with those of Gombosi and Owens, and the most likely possible source of error in the Monte Carlo simulation is considered to be in the region near the 90 deg pitch angle where the finite step size introduces certain inconsistencies.

Palmer, I. D.↗