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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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At least 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Raptor

Raptor is an efficient Python-based tool for predicting the formation and morphology of stochastic lack of fusion defects in metal AM processes. A major obstacle for the qualification and certification of additively manufactured parts in critical applications continues to be performance variability caused in part by porosity-related defects. High-fidelity process models that could predict these defect features are currently too computationally expensive for component-level analysis. To address this, Raptor employs a high-performance geometric method to model the dynamic melt pool rather than relying on computationally intensive thermal fluid dynamics. This allows Raptor to rapidly identify regions of unmelted material that correspond to lack of fusion pores. The efficiency of this approach significantly reduces the time and resources needed for generating 3D defect predictions, which enables users to conduct large-scale parameter studies and evaluate how process variations affect part quality. The framework offers operational flexibility; users can execute simulations through a simple command line interface or integrate core functions as a library within larger computational workflows. Simulation outputs include 3D porosity maps for visualization and tools for quantitative morphological analysis. These results are suitable for direct comparison with experimental characterization data from methods such as X-ray computed tomography and can be used for statistical process optimization.

Subraveti, Vamsi [Vanderbilt Univ., Nashville, TN ↗
NASA NTRS2012

Axisymmetric Plume Simulations with NASA's DSMC Analysis Code

A comparison of axisymmetric Direct Simulation Monte Carlo (DSMC) Analysis Code (DAC) results to analytic and Computational Fluid Dynamics (CFD) solutions in the near continuum regime and to 3D DAC solutions in the rarefied regime for expansion plumes into a vacuum is performed to investigate the validity of the newest DAC axisymmetric implementation. This new implementation, based on the standard DSMC axisymmetric approach where the representative molecules are allowed to move in all three dimensions but are rotated back to the plane of symmetry by the end of the move step, has been fully integrated into the 3D-based DAC code and therefore retains all of DAC s features, such as being able to compute flow over complex geometries and to model chemistry. Axisymmetric DAC results for a spherically symmetric isentropic expansion are in very good agreement with a source flow analytic solution in the continuum regime and show departure from equilibrium downstream of the estimated breakdown location. Axisymmetric density contours also compare favorably against CFD results for the R1E thruster while temperature contours depart from equilibrium very rapidly away from the estimated breakdown surface. Finally, axisymmetric and 3D DAC results are in very good agreement over the entire plume region and, as expected, this new axisymmetric implementation shows a significant reduction in computer resources required to achieve accurate simulations for this problem over the 3D simulations.

Stewart, B. D.↗
DOE OSTI2022

A new moment-based general-relativistic neutrino-radiation transport code: Methods and first applications to neutron star mergers

ABSTRACT We present a new moment-based energy-integrated neutrino transport code for neutron star merger simulations in general relativity. In the merger context, ours is the first code to include Doppler effects at all orders in υ/c, retaining all non-linear neutrino–matter coupling terms. The code is validated with a stringent series of tests. We show that the inclusion of full neutrino–matter coupling terms is necessary to correctly capture the trapping of neutrinos in relativistically moving media, such as in differentially rotating merger remnants. We perform preliminary simulations proving the robustness of the scheme in simulating ab-initio mergers to black hole collapse and long-term neutron star remnants up to ${\sim }70\,$ ms. The latter is the longest dynamical space-time, 3D, general relativistic simulations with full neutrino transport to date. We compare results obtained at different resolutions and using two different closures for the moment scheme. We do not find evidences of significant out-of-thermodynamic equilibrium effects, such as bulk viscosity, on the post-merger dynamics or gravitational wave emission. Neutrino luminosities and average energies are in good agreement with theory expectations and previous simulations by other groups using similar schemes. We compare dynamical and early wind ejecta properties obtained with M1 and with our older neutrino treatment. We find that the M1 results have systematically larger proton fractions. However, the differences in the nucleosynthesis yields are modest. This work sets the basis for future detailed studies spanning a wider set of neutrino reactions, binaries, and equations of state.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

MAGNETOROTATIONAL CORE-COLLAPSE SUPERNOVAE IN THREE DIMENSIONS

We present results of new three-dimensional (3D) general-relativistic magnetohydrodynamic simulations of rapidly rotating strongly magnetized core collapse. These simulations are the first of their kind and include a microphysical finite-temperature equation of state and a leakage scheme that captures the overall energetics and lepton number exchange due to postbounce neutrino emission. Our results show that the 3D dynamics of magnetorotational core-collapse supernovae are fundamentally different from what was anticipated on the basis of previous simulations in axisymmetry (2D). A strong bipolar jet that develops in a simulation constrained to 2D is crippled by a spiral instability and fizzles in full 3D. While multiple (magneto-)hydrodynamic instabilities may be present, our analysis suggests that the jet is disrupted by an m = 1 kink instability of the ultra-strong toroidal field near the rotation axis. Instead of an axially symmetric jet, a completely new, previously unreported flow structure develops. Highly magnetized spiral plasma funnels expelled from the core push out the shock in polar regions, creating wide secularly expanding lobes. We observe no runaway explosion by the end of the full 3D simulation 185 ms after bounce. At this time, the lobes have reached maximum radii of ∼900 km.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Risk-Informed Systems Analysis (RISA) Dynamic Fire PRA Roadmap

Modeling and implementing fire safety for nuclear power plants is a costly activity. Because of the complexity of fire phenomenon and multiple operational procedures, it is difficult to computationally provide assurance that the mitigation methods are adequate for critical areas using current analysis methods. An economical method to provide more accurate modeling and optimize mitigation methods is needed to improve nuclear power viability. This report describes the initial investigation into modeling and simulation tools for application of fire as part of the Risk-Informed Systems Analysis (RISA), formerly Risk-Informed Safety Margin Characterization (RISMC). The report provides a framework of how 3D modeling and simulation techniques could be combined with a dynamic Probabilistic Risk Analysis (PRA) to reduce compounding conservatism present in current Fire PRA methods. Electrical Power Research Institute has analyzed current Fire PRA practices and identified the most significant contributors to risk and areas for improving analysis. This framework describes how to apply dynamic PRA and simulation methods for key contributors/scenarios, credit missing factors of manual fire suppression, and applying conditional probabilities.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d{sup 5}) model systems with well-known electronic structure, viz., atomic Fe{sup 3+}, high-spin [FeCl{sub 6}]{sup 3−} with ligand donor bonding, and low-spin [Fe(CN){sub 6}]{sup 3−} that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Simulation of runaway electron production with CQL3D coupled to NIMROD

Abstract A coupling between two distinctly different codes—one magnetohydrodynamic (MHD) and another kinetic—is achieved and applied for simulation of runaway electron (RE) production. The 3D initial value MHD code NIMROD simulates a DIII-D pure neon shattered pellet injection plasma quench including the propagation and ablation of the fragments, ionization and recombination of the impurities, and the radiated and transported energies. The field data from NIMROD is then used by the bounce-averaged Fokker–Planck Collisional QuasiLinear 3D (CQL3D) kinetic code to simulate the production of REs and their radial transport. The coupling procedure involves mapping of data between different grids and adjustment of the NIMROD toroidal electric field when REs appear. It is shown that without the radial transport, a large RE current is generated, up to 30% of the pre-pellet ohmic current. However, when the radial transport is included in CQL3D, the RE current is reduced to undetectable level, consistent with experiment. Various forms of the radial diffusion are surveyed to determine conditions when the fast electrons would not have time to be accelerated to relativistic energies before they are lost to chamber wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Universal method for the optimization of HDC coating uniformity on non-planar, non-stationary substrates for inertial confinement fusion targets

The thickness uniformity of chemical vapor deposited (CVD) diamond coatings on non-planar, non-stationary substrates depends on both the intrinsic instantaneous coating thickness distribution (ICTD) of the coating conditions used and, if applicable, on the frequency of substrate reorientation. While important for many CVD diamond applications, the relative impact of the ICTD and substrate reorientation on the coating thickness uniformity has not been studied. In this work, we systematically investigate the effect of these factors for microwave-plasma chemical vapor deposition (MPCVD) of diamond (referred to as high density carbon (HDC) in the inertial confinement fusion (ICF) community) coatings on spherical, rolling substrates. This coating technique is used to fabricate capsules for ICF experiments, which require extreme coating uniformity with <0.3 % thickness variation (so-called Mode 1 or M1) to ensure symmetric compression of imploding targets. To extract the otherwise unobservable reorientation timescale (Δt), Monte Carlo simulations were performed using experimental ICTD data as input. This combined approach confirms scaling relationships between the substrate reorientation timescale as well as coating thickness and coating uniformity, as expected from a 3D random walk. Simulations confirm that M1 is Rayleigh-distributed and scales as (Δt) 1/2 , consistent with the randomization of two angles that determine orientation of a sphere. We also demonstrate that, under the conditions studied, Δt is the dominant factor in determining thickness uniformity while the intrinsic ICTD has minimal impact. Finally, experiments show that Δt can be affected by total batch size under constant agitation conditions due to space constraints that limit the capsule reorientation kinetics. In conclusion, this study highlights the utility of a combined experiment-simulation approach as a general methodology for understanding and improving coating uniformity on non-planar, non-stationary substrates.

Capsule↗
DOE OSTI2015

Three-dimensional ordering of cold ion beams in a storage ring: A molecular-dynamics simulation study

Three-dimensional (3D) ordering of a charged-particle beams circulating in a storage ring is systematically studied with a molecular-dynamics simulation code. An ion beam can exhibit a 3D ordered configuration at ultralow temperature as a result of powerful 3D laser cooling. Various unique characteristics of the ordered beams, different from those of crystalline beams, are revealed in detail, such as the single-particle motion in the transverse and longitudinal directions, and the dependence of the tune depression and the Coulomb coupling constant on the operating points.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Conceptual design of the ITER fast-ion loss detector

A conceptual design of a reciprocating fast-ion loss detector for ITER has been developed and is presented here. Fast-ion orbit simulations in a 3D magnetic equilibrium and up-to-date first wall have been carried out to revise the measurement requirements for the lost alpha monitor in ITER. In agreement with recent observations, the simulations presented here suggest that a pitch-angle resolution of ∼5° might be necessary to identify the loss mechanisms. Synthetic measurements including realistic lost alpha-particle as well as neutron and gamma fluxes predict scintillator signal-to-noise levels measurable with standard light acquisition systems with the detector aperture at ∼11 cm outside of the diagnostic first wall. At measurement position, heat load on detector head is comparable to that in present devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

3D probabilistic fracture mechanics / computational fluid dynamics simulation of a reactor pressure vessel under transient conditions

Reactor pressure vessels (RPVs) are safety-critical light-water-reactor components that, under irradiation, experience long-term material degradation in the form of embrittlement. This can increase their susceptibility to fracture under thermal-shock conditions, which could occur during off-normal transients such as loss-of-coolant accidents (LOCAs). During a LOCA, the most severe conditions for the RPV occur when emergency core cooling water is injected through the cold legs into the water-and-steam-filled RPV. The rapid cooling of the downcomer and internal RPV surface causes decreased temperature and elevated thermally driven tensile stresses in the RPV wall. This, combined with long-term material embrittlement, may cause fracture initiation at pre-existing flaws, challenging the integrity of the RPV. Assessing RPV integrity during transients with a large spatial variation in the coolant temperature requires a modeling approach that considers the effects of spatially varying coolant temperature on the fracture probability of a population of flaws distributed throughout the RPV, accounting for spatially varying embrittlement. Here, the present study addresses this need by demonstrating first-of-its-kind coupling of a high-fidelity 3D computational fluid dynamics code with 3D probabilistic fracture mechanics This was accomplished using representative models of a pressurized-water reactor subjected to small- and medium-break LOCA conditions, both of which can result in large spatial temperature variations. While the observed impact of accounting for 3D effects was minimal under the small-break LOCA this study indicates a significant increase in the probability of fracture initiation under the medium-break LOCA when 3D effects are considered, relative to a spatially uniform cooling scenario.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Biases associated with a particular image volume metric

Image analysis area and volume metrics A 80 and V 80 , used by others, are studied as a function of image morphology, a 3D feature, and Monte Carlo noise in simulated images. The A 80 area metric is found to be stable, with consistent results (and meaning) obtainable without a detailed understanding of 3D features and/or simulation noise levels. However, the V 80 volume metric varies significantly with image morphology, 3D features, and simulation noise. If an experimental image set gives A 80 area inferences that are consistent with 2D image simulations, but V 80 volume inferences that are significantly larger than those corresponding to simulated images, then issues related to 3D features and simulation noise should be explored before conclusions are drawn related to a possible mismatch in the real physical size of experimental and simulated source volumes.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Simulations of radiative turbulent mixing layers

ABSTRACT Radiative turbulent mixing layers should be ubiquitous in multi-phase gas with shear flow. They are a potentially attractive explanation for the high ions such as O vi seen in high-velocity clouds and the circumgalactic medium (CGM) of galaxies. We perform 3D magnetohydrohynamics (MHD) simulations with non-equilibrium (NEI) and photoionization modelling, with an eye towards testing simple analytic models. Even purely hydrodynamic collisional ionization equilibrium (CIE) calculations have column densities much lower than observations. Characteristic inflow and turbulent velocities are much less than the shear velocity, and the layer width $h \propto t_{\mathrm{cool}}^{1/2}$ rather than h ∝ tcool. Column densities are not independent of density or metallicity as analytic scalings predict, and show surprisingly weak dependence on shear velocity and density contrast. Radiative cooling, rather than Kelvin–Helmholtz instability, appears paramount in determining the saturated state. Low pressure due to fast cooling both seeds turbulence and sets the entrainment rate of hot gas, whose enthalpy flux, along with turbulent dissipation, energizes the layer. Regardless of initial geometry, magnetic fields are amplified and stabilize the mixing layer via magnetic tension, producing almost laminar flow and depressing column densities. NEI effects can boost column densities by factors of a few. Suppression of cooling by NEI or photoionization can, in principle, also increase O vi column densities, but, in practice, is unimportant for CGM conditions. To explain observations, sightlines must pierce hundreds or thousands of mixing layers, which may be plausible if the CGM exists as a ‘fog’ of tiny cloudlets.

Ji (季索清), Suoqing↗
DOE OSTI2023

FY23 Progress on Computational Modeling of the Water-Based NSTF

This report summarizes the system-level modeling effort by Argonne National Laboratory (Argonne) of the Natural convection Shutdown heat removal Test Facility (NSTF) in FY23. As a continuation of the modeling effort from FY22, this year’s work focuses on improving the RELAP5-3D model developed previously for two-phase flow simulations. The RELAP5-3D model is updated to more accurately capture the heat loss experienced by the facility. The updated model is compared against experimental data for benchmarking purposes of the RELAP5-3D input model. By correctly accounting for heat loss, the updated RELAP5-3D model can now predict the two-phase baseline case more accurately. The onset and the duration of instability are captured well by the model. Furthermore, analyses are performed to better understand the instability mechanism experienced by the flow where the expansion of the boiling boundary in the chimney is studied in details and the fundamental frequencies of the oscillations are obtained. The updated RELAP5-3D model is further compared against four fault conditions, namely the reduction of riser header inlet flow area, depletion of system inventory, blocked riser channels, and static boiling scenario. For each fault condition, minor modifications and tuning are performed to improve the predictions of the model. The purpose of the analyses is to investigate the capability of RELAP5-3D in predicting complex two-phase flows in possible accident scenarios in actual Reactor Cavity Cooling System (RCCS). Overall, the model is able to capture the behaviors and trends of these fault conditions relatively well. Some discrepancies remain between the experimental data and the predictions, many of which are likely due to the differences in the predicted and experimental vapor generation rate. Future work will focus on the continued development of the current RELAP5-3D input model of the NSTF to both improve the accuracy of the model’s predictive capability and continue supporting the experimental program needs. The mutually beneficial relationship between analysis and experimental efforts has become integral to the parent NSTF program, and the greater objective to fully understand and accurately predict the heat removal performance of a full scale RCCS concept.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2013

Development of the Code RITRACKS

A document discusses the code RITRACKS (Relativistic Ion Tracks), which was developed to simulate heavy ion track structure at the microscopic and nanoscopic scales. It is a Monte-Carlo code that simulates the production of radiolytic species in water, event-by-event, and which may be used to simulate tracks and also to calculate dose in targets and voxels of different sizes. The dose deposited by the radiation can be calculated in nanovolumes (voxels). RITRACKS allows simulation of radiation tracks without the need of extensive knowledge of computer programming or Monte-Carlo simulations. It is installed as a regular application on Windows systems. The main input parameters entered by the user are the type and energy of the ion, the length and size of the irradiated volume, the number of ions impacting the volume, and the number of histories. The simulation can be started after the input parameters are entered in the GUI. The number of each kind of interactions for each track is shown in the result details window. The tracks can be visualized in 3D after the simulation is complete. It is also possible to see the time evolution of the tracks and zoom on specific parts of the tracks. The software RITRACKS can be very useful for radiation scientists to investigate various problems in the fields of radiation physics, radiation chemistry, and radiation biology. For example, it can be used to simulate electron ejection experiments (radiation physics).

Plante, Ianik↗
DOE OSTI2025

Residual stress distribution in an additively manufactured complex structure by neutron diffraction measurement

Residual stress in an aerodynamically shaped Ni-based superalloy airfoil fabricated by laser powder bed fusion was measured by neutron diffraction. The experiment was conducted by considering the complex shape, implementing computer aided experiment planning, and automatic alignment at each rapid measurement. The 3-dimensional (3D) residual stress distribution in the airfoil is presented in this work, which lacks symmetry due to the complex geometry of the airfoil. In conclusion, the results provide theoretical thermal processing models a complete residual stress dataset of simulation validation on 3D shape complex structure.

Residual stress↗
NASA NTRS2004

Debris Dispersion Model Using Java 3D

This paper describes web based simulation of Shuttle launch operations and debris dispersion. Java 3D graphics provides geometric and visual content with suitable mathematical model and behaviors of Shuttle launch. Because the model is so heterogeneous and interrelated with various factors, 3D graphics combined with physical models provides mechanisms to understand the complexity of launch and range operations. The main focus in the modeling and simulation covers orbital dynamics and range safety. Range safety areas include destruct limit lines, telemetry and tracking and population risk near range. If there is an explosion of Shuttle during launch, debris dispersion is explained. The shuttle launch and range operations in this paper are discussed based on the operations from Kennedy Space Center, Florida, USA.

Thirumalainambi, Rajkumar↗
DOE OSTI2015

Phase-space moment-equation model of highly relativistic electron-beams in plasma-wakefield accelerators

We formulate a new procedure for modelling the transverse dynamics of relativistic electron beams with significant energy spread when injected into plasma-based accelerators operated in the blow-out regime. Quantities of physical interest, such as the emittance, are furnished directly from solution of phase space moment equations formed from the relativistic Vlasov equation. The moment equations are closed by an Ansatz, and solved analytically for prescribed wakefields. The accuracy of the analytic formulas is established by benchmarking against the results of a semi-analytic/numerical procedure which is described within the scope of this work, and results from a simulation with the 3D quasi-static PIC code HiPACE.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗