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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Mapping the Milky Way Galaxy with LISA

Gravitational wave detectors in the mHz band (such as the Laser Interferometer Space Antenna, or LISA) will observe thousands of compact binaries in the galaxy which can be used to better understand the structure of the Milky Way. To test the effectiveness of LISA to measure the distribution of the galaxy, we simulated the Close White Dwarf Binary (CWDB) gravitational wave sky using different models for the Milky Way. To do so, we have developed a galaxy density distribution modeling code based on the Markov Chain Monte Carlo method. The code uses different distributions to construct realizations of the galaxy. We then use the Fisher Information Matrix to estimate the variance and covariance of the recovered parameters for each detected CWDB. This is the first step toward characterizing the capabilities of space-based gravitational wave detectors to constrain models for galactic structure, such as the size and orientation of the bar in the center of the Milky Way

McKinnon, Jose A.↗
NASA NTRS2014

Geant4 Predictions of Energy Spectra in Typical Space Radiation Environment

Accurate knowledge of energy spectra inside spacecraft is important for protecting astronauts as well as sensitive electronics from the harmful effects of space radiation. Such knowledge allows one to confidently map the radiation environment inside the vehicle. The purpose of this talk is to present preliminary calculations for energy spectra inside a spherical shell shielding and behind a slab in typical space radiation environment using the 3D Monte-Carlo transport code Geant4. We have simulated proton and iron isotropic sources and beams impinging on Aluminum and Gallium arsenide (GaAs) targets at energies of 0.2, 0.6, 1, and 10 GeV/u. If time permits, other radiation sources and beams (_, C, O) and targets (C, Si, Ge, water) will be presented. The results are compared to ground-based measurements where available.

Sabra, M. S.↗
NASA NTRS2015

Characterization of Vacuum Facility Background Gas Through Simulation and Considerations for Electric Propulsion Ground Testing

The background gas in a vacuum facility for electric propulsion ground testing is examined in detail through a series of cold flow simulations using a direct simulation Monte Carlo (DSMC) code. The focus here is on the background gas itself, its structure and characteristics, rather than assessing its interaction and impact on thruster operation. The background gas, which is often incorrectly characterized as uniform, is found to have a notable velocity within a test facility. The gas velocity has an impact on the proper measurement of pressure and the calculation of ingestion flux to a thruster. There are also considerations for best practices for tests that involve the introduction of supplemental gas flows to artificially increase the background pressure. All of these effects need to be accounted for to properly characterize the operation of electric propulsion thrusters across different ground test vacuum facilities.

Test Facilities↗
NASA NTRS2017

Scale Dependence of Cirrus Horizontal Heterogeneity Effects on TOA Measurements: MODIS Brightness Temperatures in the Thermal Infrared - Part I

This paper presents a study on the impact of cirrus cloud heterogeneities on MODIS simulated thermal infrared (TIR) brightness temperatures (BTs) at the top of the atmosphere (TOA) as a function of spatial resolution from 50 meters to 10 kilometers. A realistic 3-D (three-dimensional) cirrus field is generated by the 3DCLOUD model (average optical thickness of 1.4, cloudtop and base altitudes at 10 and 12 kilometers, respectively, consisting of aggregate column crystals of D (sub eff) equals 20 microns), and 3-D thermal infrared radiative transfer (RT) is simulated with the 3DMCPOL (3-D Monte Carlo Polarized) code. According to previous studies, differences between 3-D BT computed from a heterogenous pixel and 1-D (one-dimensional) RT computed from a homogeneous pixel are considered dependent at nadir on two effects: (i) the optical thickness horizontal heterogeneity leading to the plane-parallel homogeneous bias (PPHB); and the (ii) horizontal radiative transport (HRT) leading to the independent pixel approximation error (IPAE). A single but realistic cirrus case is simulated and, as expected, the PPHB mainly impacts the low-spatial resolution results (above approximately 250 meters), with averaged values of up to 5-7 K (thousand), while the IPAE mainly impacts the high-spatial resolution results (below approximately 250 meters) with average values of up to 1-2 K (thousand). A sensitivity study has been performed in order to extend these results to various cirrus optical thicknesses and heterogeneities by sampling the cirrus in several ranges of parameters. For four optical thickness classes and four optical heterogeneity classes, we have found that, for nadir observations, the spatial resolution at which the combination of PPHB and HRT effects is the smallest, falls between 100 and 250 meters. These spatial resolutions thus appear to be the best choice to retrieve cirrus optical properties with the smallest cloud heterogeneity-related total bias in the thermal infrared. For off-nadir observations, the average total effect is increased and the minimum is shifted to coarser spatial resolutions.

TOA↗
NASA NTRS2017

Investigation of the High-Energy Oxidation of FiberForm from DSMC Analysis of Molecular Beam Experiments

A collaborative effort between the University of Illinois at Urbana-Champaign (UIUC), NASA Ames Research Center (ARC) and Montana State University (MSU) succeeded at developing a new finite-rate carbon oxidation model from molecular beam scattering experiments on vitreous carbon (VC). We now aim to use the direct simulation Monte Carlo (DSMC) code SPARTA to apply the model to each fiber of the porous fibrous Thermal Protection Systems (TPS) material FiberForm (FF). The detailed micro-structure of FF was obtained from X-ray micro-tomography and then used in DSMC. Both experiments and simulations show that the CO/O products ratio increased at all temperatures from VC to FF. We postulate this is due to the larger number of collisions an O atom encounters inside the porous FF material compared to the flat surface of VC. For the simulations, we particularly focused on the lowest and highest temperatures studied experimentally, 1023 K and 1823 K, and found good agreement between the finite-rate DSMC simulations and experiments.

Oxidation↗
NASA NTRS2017

Development of a Detailed Surface Chemistry Framework in DSMC

Many of the current direct simulation Monte Carlo (DSMC) codes still employ only simple surface catalysis models. These include only basic mechanisms such as dissociation, recombination, and exchange reactions, without any provision for adsorption and finite rate kinetics. Incorporating finite rate chemistry at the surface is increasingly becoming a necessity for various applications such as high speed re-entry flows over thermal protection systems (TPS), micro-electro-mechanical systems (MEMS), surface catalysis, etc. In the recent years, relatively few works have examined finite-rate surface reaction modeling using the DSMC method.In this work, a generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the DSMC solver SPARTA. The various mechanisms include adsorption, desorption, Langmuir-Hinshelwood (LH), Eley-Rideal (ER), Collision Induced (CI), condensation, sublimation, etc. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., ER, CI) and pure-surface (e.g., LH, desorption) reaction mechanisms are incorporated. The reaction mechanisms could also be catalytic or surface altering based on the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and we adopt a similar convention in the current work. Microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are require for DSMC are computed from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are decided based on the reaction type and input parameters. Thus, the user has the capability to model various surface reactions via user-specified reaction rate constants, surface properties and parameters.

Gas↗
NASA NTRS2018

Significance of DSMC Computed Aerothermal Environments in the Rarefied Regime for Atmospheric Entry Material Response

During Mars atmospheric entry, the Mars Science Laboratory (MSL) was protected by a 4.5 meters diameter ablative heatshield assembled in 113 tiles. The heatshield was made of NASA's flagship ablative material, the Phenolic Impregnated Carbon Ablator (PICA). Prior work compared the traditional one-dimensional and three-dimensional material response models at different locations in the heatshield. It was observed that the flow was basically one-dimensional in the nose and flank regions, but three-dimensional flow effects were observed in the outer flank. The objective of this work is to study the effects of the aerothermal environment on the material response. We extend prior work by computing aerothermal environments using the direct simulation Monte Carlo (DSMC) code SPARTA and the CFD code Data Parallel Line Relaxation (DPLR). SPARTA is used to compute environment in the rarefied regime prior to 48.4s of entry where the Knudsen number is such that the Navier-Stokes equations can be inaccurate. Similarly to previous work, the DPLR software is used to compute the hypersonic environment for laminar then turbulent boundary layer assumptions from 48.4 s up to 100 s after Entry Interface (EI) along the MSL 08-TPS-02/01a trajectory. We observe that extending the aerothermal environments to times prior to 48.4 s modifies the thermal response of the heat shield at the surface and in-depth; however the effects on the recession are minimal. Additionally, using the assumption of a turbulent boundary layer versus a laminar one leads to higher surface and in-depth temperatures, larger recession, and a displacement of the peak heating and peak recession location.

Aerothermal↗
NASA NTRS2019

Effects of the Serber First Step in 3DHZETRN-v2.1

3DHZETRN-v2 includes a detailed three dimensional (3D) treatment of neutron/light-ion transport based on a quasi-elastic/multiple-production assumption allowing improved agreement of the neutron/light-ion fluence compared with results of three Monte Carlo (MC) codes in the sense that the variance with respect to the individual MC results is less than the variance among the MC code results. The current numerical methods are no longer the main limitation to HZETRN code development and further changes in the nuclear model are required. In a prior study, an improved quasi-elastic spectrum based on a solution of the transport approximation to nuclear media effects showed promise, but the remaining multiple-production spectrum was based on a database derived from the Ranft model that used Bertini multiplicities. In the present paper, we will implement a more complete Serber first step into the 3DHZETRN-v2 code, but we retain the Bertini-Ranft branching ratios and evaporation multiplicities. It is shown that the new Serber model in the 3HZETRN-v2 code reduces the variance with individual MC codes, which are largely due to nuclear cross section model differences.

Wilson, John W.↗
NASA NTRSDate not supplied

Modeling Radiation Sources for Experimental Validation

To build on previously completed experimental work, I have been working to implement a model of our lab’s Americium-Beryllium neutron source and Ludlum detection instruments computationally to provide secondary verification of our experimental results. This has been done using the radiation transport code MCNP6 (Monte Carlo N-Particle). I have developed files to calculate the mass ratio of various composite materials that we have exposed to the radiation source, as well as the components of the detection instruments and converted all of these into geometric coordinates that define the experimental setup. Identifying the proper energy distribution and detector efficiencies as well as the correct interpretation of the detector physics have proven to be the most difficult and time-consuming challenges of the work. It is currently too early for results based on the most updated and accurate models. With this experience, the next step is to develop another source model of a proton beam to simulate exposures on other composite targets. This will be developed based on existing experimental datasets, but not used to validate them. Each of these projects will further define the radiation shielding needs for humans in space radiation environments that astronauts will someday be exposed to beyond Low Earth Orbit.

Juliana Simon↗
DOE OSTI2025

gRASPA

GPU Monte Carlo Simulation Code with a taste of RASPA We present enhancements in Monte Carlo simulation speed and functionality within an open-source code, gRASPA, which uses graphical processing units (GPUs) to achieve significant performance improvements compared to serial, CPU implementations of Monte Carlo. The code supports a wide range of Monte Carlo simulations, including canonical ensemble (NVT), grand canonical, NVT Gibbs, Widom test particle insertions, and continuous-fractional component Monte Carlo. Implementation of grand canonical transition matrix Monte Carlo (GC-TMMC) and a novel feature to allow different moves for the different components of metal-organic framework (MOF) structures exemplify the capabilities of gRASPA for precise free energy calculations and enhanced adsorption studies, respectively. The introduction of a High-Throughput Computing (HTC) mode permits many Monte Carlo simulations on a single GPU device for accelerated materials discovery. The code can incorporate machine learning (ML) potentials. The open-source nature of gRASPA promotes reproducibility and openness in science, and users may add features to the code and optimize it for their own purposes. The code is written in CUDA/C++ and SYCL/C++ to support different GPU vendors. The gRASPA code is publicly available at https://github.com/snurr-group/gRASPA.

Li, Zhao [Purdue/Northwestern/Notre Dame Universit↗
DOE OSTI2026

Collision Tracking in OpenMC: Methods and Applications in Neutron Noise, Neutron Imaging, Time-of-Flight, and Multiplicity Counting

We present the development and application of a collision tracking feature within the OpenMC Monte Carlo particle transport code, designed for diverse applications such as neutron spectroscopy, scatter camera system, neutron noise, and multiplicity counting simulations. This feature enables the tracking of individual particle collisions, with potential applications in nuclear nonproliferation, reactor physics, and nuclear security. Additionally, the feature holds potential for the calibration of neutron detectors, specifically in converting light output into energy deposited within the detectors. The implementation consists of a set of filters—such as reaction type, energy, cell, and material—that constrain the set of collisions that are tracked, extensions to the Python API to enable simple input specification, and support for writing either OpenMC’s native HDF5-based format or the Monte Carlo particle list format. This feature was added to the official OpenMC release in version 0.15.3. In this work, the feature will be applied to showcase scenarios such as time-of-flight simulations, scatter-camera imaging for neutron source localization, neutron-noise analysis to extract integral kinetic parameters such as the prompt decay constant α, and multiplicity counting to estimate the mass of special nuclear materials. Ultimately, this feature aims to expand the application scope of open-source Monte Carlo particle transport codes such as OpenMC.

Monte Carlo code↗
DOE OSTI2022

Introduction to an MCGIDI Mini-App and Performance Comparisons with XSBench

In high-performance Monte Carlo (MC) radiation transport codes, cross section lookups often account for the majority of computational expens. In response to this observation, a number of nuclear data mini-apps have been developed to profile and optimize the lookup process. A review of these mini-apps can be found in Ref. In contrast to a fully fledged MC code, nuclear data mini-apps do not feature particle tracking; instead, the cross section lookup process is considered in isolation, a simplification that allows for easier implementation and evaluation of various lookup schemes and techniques. GIDI+, as described on its public repository1, is ...a collection of C++ libraries for accessing evaluated and processed nuclear data stored in the Generalized Nuclear Database Structure (GNDS). In addition to reading GNDS files, GIDI+ has functions to sum and collapse multi-group data as needed by deterministic transport codes, and to sample GNDS data as needed by Monte Carlo transport codes. Certain modes of Mercury, a LLNL-developed MC radiation transport code, utilize GIDI+ for cross section lookups. Specifically, Mercury uses the MCGIDI library contained within GIDI+ to perform lookups on GPUs. A mini-app exercising MCGIDI’s cross section lookup capabilities would prove useful for optimization, which in turn could improve the performance of client codes such as Mercury. Such a mini-app could also be used to assess the performance of MCGIDI compared to other nuclear data mini-apps. In this document, we introduce a nuclear data mini-app built with the MCGIDI library. The MCGIDI mini-app (MCGIDI-MA) was developed to closely resemble the methodology present in XSBench, a nuclear data mini-app developed at Argonne National Laboratory. The remainder of this section provides an overview on XSBench. Section 2 describes MCGIDI-MA and its usage. Section 3 contains performance results of MCGIDI-MA on LLNL’s Lassen and Quartz compute platforms, as well as comparisons to XSBench performance where appropriate. In Section 4, we present a summary of our findings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Monte Carlo Radiation Transport for Astrophysical Transients Powered by Circumstellar Interaction

In this paper, we introduce SuperLite, an open-source Monte Carlo radiation transport code designed to produce synthetic spectra for astrophysical transient phenomena affected by circumstellar interaction. SuperLite utilizes Monte Carlo methods for semi-implicit, semirelativistic radiation transport in high-velocity shocked outflows, employing multigroup structured opacity calculations. The code enables rapid post-processing of hydrodynamic profiles to generate high-quality spectra that can be compared with observations of transient events, including superluminous supernovae, pulsational pair-instability supernovae, and other peculiar transients. We present the methods employed in SuperLite and compare the code's performance to that of other radiative transport codes, such as SuperNu and CMFGEN. We show that SuperLite has successfully passed standard Monte Carlo radiation transport tests and can reproduce spectra of typical supernovae of Type Ia, Type IIP, and Type IIn.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Simulations of particle acceleration in parallel shocks: Direct comparison between Monte Carlo and one-dimensional hybrid codes

We have made a direct comparison between two different computer simulations of a plane, parallel, collisionless shock including particle acceleration to energies typical of those of diffuse ions observed at the earth bow shock. Despite the fact that the one-dimensional hybrid and Monte Carlo techniques employ entirely different algorithms, they give surprisingly close agreement in the overall shapes of the complete distribution functions for protons as well as heavier ions. Both methods show that energetic ions emerge smoothly from the background thermal plasma with approximately the same relative injection rate and that the fraction of the incoming plasma's energy flux that is converted into downstream enthalpy flux of the accelerated population (i.e., the acceleration efficiency) is similar in the two cases. The fraction of the downstream proton distribution made up of superthermal particles is quite large, with at least 10% of the energy flux going into protons with energies above 10 keV. In addition, an upstream precursor, produced by backstreaming energetic particles, is present in both shocks, although the Monte Carlo precursor is considerably longer than that produced in the hybrid shock. These results offer convincing evidence that, at least in these ways, the two simulations are consistent in their description of parallel shock structure and particle acceleration, and they lay the groundwork for development of shock models employing a combination of both methods.

Ellison, Donald C.↗
DOE OSTI2020

Oak Ridge National Laboratory Shutdown Dose Rate Code Suite

The Oak Ridge National Laboratory (ORNL) shutdown dose rate (SDDR) code suite calculates gamma dose rates at a location of interest due to activation of materials. The code suite is based on the rigorous two-step (R2S) method that involves two radiation transport calculations: (1) neutron radiation transport to determine neutron fluxes in the material for which activation calculations will be performed and (2) gamma radiation transport to determine dose rates at a location of interest, due to material activation. The ORNL SDDR code suite is used to determine an importance function that characterizes the neutron’s importance to the final SDDR when the Monte Carlo radiation transport method is used. This report demonstrates how the ORNL SDDR code suite is implemented through the following codes: Monte Carlo N-Particle (MCNP) code Version 5-1.60, Oak Ridge Isotope Generator (ORIGEN), MSX suite of utilities, Neutron Activation Gamma Source Sampler (NAGSS), and Automated Variance Reduction Generator (ADVANTG). For this demonstration, the International Thermonuclear Experimental Reactor (ITER) SDDR benchmark problem is used and the dose rate result is compared to previously published work.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2018

Coupled Electron-Photon Monte Carlo Radiation Transport for Next-Generation Computing Systems

Traditional Monte Carlo particle transport codes are expected to run inefficiently on next-generation architectures as they are memory-intensive and highly divergent. Since electrons and photons also behave differently, the future for coupled electron-photon radiation transport looks even worse. This project describes preliminary efforts to improve the performance of Monte Carlo particle transport codes when using accelerators like the graphics processing unit (GPU). Two key issues are addressed: how to handle memory-intensive tallies, and how to reduce divergence. Tallying on the GPU can be done efficiently by post-processing particle data, or by using a feature called warp shuffle for summing scores in parallel during the simulation. Reducing divergence is possible by using an event-based algorithm for particle tracking instead of the traditional history-based one. Although performance tests presented in this work show that the history-based algorithm generally outperformed the event-based one for simple problems, this outcome will likely change as the complexity of the code increases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗