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At least 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

OpenEdge: A collaborative, open-source, multi-purpose direct simulation Monte Carlo for plasma simulation in magnetic fusion environments

OpenEdge is a collaborative, open-source, object-oriented Direct Simulation Monte Carlo (DSMC) code, designed specifically for plasma simulations in magnetic fusion environments. Here, the code features include advanced structures, robust capabilities, and an effective parallelization strategy, all of which significantly enhance performance. It includes specialized modules for managing complex particle interactions, including collisions, ionization/recombination, and reflection/sputtering. Benchmarks and performance analyses have confirmed its efficiency and scalability. Versatile and adaptable, OpenEdge is applied across a broad spectrum of plasma-material interaction studies and charged particle transport in various fusion research settings.

Boundary plasma↗
DOE OSTI2026

Enhancing photoionization rate calculations in low-temperature plasmas using spectral methods

Photoionization plays a central role in the development of streamer discharges and other non-equilibrium plasma phenomena. It creates seed electrons, which are essential for positive streamer propagation, allowing the ionization front to move forward. Because of this, accurate modeling of photoionization is very important for predicting streamer behavior and plasma evolution. The photoionization process in air (N 2 – O 2 mixture) is often described by the Zheleznyak model (1982). This model is usually solved through Helmholtz-type equations that approximate the Zheleznyak photoionization model (Zheleznyak et al. 1982) as Partial Differential Equations (PDEs). Conventional numerical methods, such as the Finite Difference Method (FDM) or Finite Volume Method (FVM), are widely used to solve these equations. Although they are prevalent, the computational cost of these methods due to their need for matrix operations and iterative solver is demanding. To address this challenge, this work develops a spectral solver based on the Fast Fourier Transform (FFT) combined with Discrete Cosine Transform (DCT) and Discrete Sine Transform (DST) to calculate the photoionization rate efficiently in an axisymmetric cylindrical domain. This method naturally satisfies the boundary conditions used in the model and converts the PDE into algebraic ones in spectral space. Thus, avoids the need for iterative matrix solvers. When compared with FDM results, it is demonstrated that the new solver not only maintains accuracy, but also reduces the computational cost, showing a performance increase of approximately 100 compared to FDM over a wide range of problem sizes. The method is parallelized using Message Passing Interface (MPI) and has been integrated into a fluid plasma model for streamer simulation. Here, this FFT-based approach provides a fast and reliable alternative for calculating photoionization in fluid models, helping large-scale plasma simulations run faster and efficiently, and allows higher-resolution simulation without extra computational cost.

Axisymmetric system↗
DOE OSTI2022

PythonFOAM: In-situ data analyses with OpenFOAM and Python

Here, we outline the development of a general-purpose Python-based data analysis tool for OpenFOAM. Our implementation relies on the construction of OpenFOAM applications that have bindings to data analysis libraries in Python. Double precision data in OpenFOAM is cast to a NumPy array using the NumPy C-API and Python modules may then be used for arbitrary data analysis and manipulation on flow-field information. We highlight how the proposed wrapper may be used for an in-situ online singular value decomposition (SVD) implemented in Python and accessed from the OpenFOAM solver PimpleFOAM. Here, 'in-situ' refers to a programming paradigm that allows for a concurrent computation of the data analysis on the same computational resources utilized for the partial differential equation solver. In addition, to demonstrate parallel deployments, we deploy a distributed SVD, which collects snapshot data across the ranks of a distributed simulation to compute the global left singular vectors. Crucially, both OpenFOAM and Python share the same message passing interface (MPI) communicator for this deployment which allows Python objects and functions to exchange NumPy arrays across ranks. Subsequently, we provide scaling assessments of this distributed SVD on multiple nodes of Intel Broadwell and KNL architectures for canonical test cases such as the large eddy simulations of a backward facing step and a channel flow at friction Reynolds number of 395. Finally, we demonstrate the deployment of a deep neural network for compressing the flow-field information using an autoencoder to demonstrate an ability to use state-of-the-art machine learning tools in the Python ecosystem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Development of a Reactive Force Field for Simulating Photoinitiated Acrylate Polymerization

Light-driven and photo-curable polymer based additive manufacturing (AM) has enormous potential due to its excellent resolution and precision. Acrylated radical chain-growth polymerized resins are widely used in photopolymer AM due to their fast kinetics, and often serve as a departure point for developing other resin materials for photopolymer-based AM technologies. For successful control of the photopolymer resins, the molecular basis of the acrylate free-radical polymerization has to be understood in detail. We present an optimized reactive force field (ReaxFF) for molecular dynamics (MD) simulations of acrylate polymer resins that captures radical polymerization thermodynamics and kinetics. The force field is trained against an extensive training set including density functional theory (DFT) calculations of reaction pathways along the radical polymerization from methyl acrylate to methyl butyrate, bond dissociation energies, and structures and partial charges of several molecules and radicals. We also found that it was critical to train the force field against an incorrect, nonphysical reaction pathway observed in simulations that used parameters not optimized for acrylate polymerization. As a result, the parameterization process utilizes a parallelized search algorithm, and the resulting model can describe polymer resin formation, crosslinking density, conversion rate, and residual monomers of the complex acrylate mixtures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interplay of Electrode Heterogeneity and Lithium Plating

Lateral microstructure heterogeneity in anodes is known to induce nonuniform current density, state of charge, and lithium plating. This means that such electrode heterogeneity can limit the fast charging of lithium-ion batteries. In this work, a combination of experiments and simulation is employed to understand the effect of mm scale lateral heterogeneity on cell aging. A previously developed model was extended to efficiently simulate SEI formation and Li plating for independent regions of an electrode. The model consists of three parallel regions each described under a P2D framework and with a distinct ionic resistance and possibly active material loading. The results suggest that during fast charge when the active material is uniformly distributed across the three regions, the region with the highest resistance reaches the end of life sooner than the other regions. There is also positive feedback from Li metal filling the pores near the separator interface that further accelerates lithium plating. Lastly, when there is a non-uniform active material distribution associated with the ionic resistance heterogeneity, tight competition between regions can occur, leading to less overall lithium plating and plating that is more uniform between regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Performance Demonstration of Self-Powered Neutron Detectors for Steady-State Reactor Operations

The irradiation testing of sensors in reactors is a crucial step towards calibrating and qualifying sensors prior to their deployment in experiments. This report details the process toward qualifying and calibrating custom-designed rhodium-based self-power neutron detectors (Rh-SPNDs) for steady-state reactor irradiations. This process serves to both demonstrate the performance capabilities of Rh-SPNDs as well as to provide experimental data for development of a sensor sensitivity model. Two designs of Rh-SPNDs were tested in various reactors to demonstrate: detection resolution in a low neutron flux environment, a delayed-response compensation technique, output linearity in a large range of neutron flux, and measurement accuracy verified with dosimetry. The detection resolution and compensation technique was demonstrated in the AGN-201m reactor at Idaho State University. The irradiation confirmed the sensors’ capability to perform steady-state operations in a low neutron flux of ~2E8 n/cm 2 -sec. Sensor output linearity coupled with the delayed-response compensation was investigated at the neutron radiography reactor at Idaho National Laboratory. A Rh-SPND was irradiated to neutron fluxes ranging from 2E8 to 2E13 n/cm2-sec range. The measured data demonstrated a wide and linear range of operation with a measured linear sensitivity of 1.0129 ×10 -13 A/W with a correlation-squared value of r 2 =0.9927. The measurement accuracy was investigated at the Advanced Test Reactor Critical reactor. The SPNDs were inserted into a test vehicle with collocated flux wires. Two irradiations with different flux levels were performed, and the SPNDs relative measurement between the two irradiations was calculated to be 1.2613 ± 0.0153 for the small SPND design and 1.1809 ± 0.0108 for the large SPND design. Both SPND measurements fell between the co-axial dosimetry result, which reported 1.218 ± 0.047. Additionally, the preliminary MCNP model for calculating SPND sensitivity was developed in parallel to this work. Modeled neutron spectrum with measured magnitude was used for inputs to determine the simulated SPND output. The results showed an overestimation of signal strength by a factor of 5, which was expected because of model simplification. This leads to future modeling work to account for signal losses from additional physical properties, including high temperature environments for FY-21.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Porting HEP Parameterized Calorimeter Simulation Code to GPUs

The High Energy Physics (HEP) experiments, such as those at the Large Hadron Collider (LHC), traditionally consume large amounts of CPU cycles for detector simulations and data analysis, but rarely use compute accelerators such as GPUs. As the LHC is upgraded to allow for higher luminosity, resulting in much higher data rates, purely relying on CPUs may not provide enough computing power to support the simulation and data analysis needs. As a proof of concept, we investigate the feasibility of porting a HEP parameterized calorimeter simulation code to GPUs. We have chosen to use FastCaloSim, the ATLAS fast parametrized calorimeter simulation. While FastCaloSim is sufficiently fast such that it does not impose a bottleneck in detector simulations overall, significant speed-ups in the processing of large samples can be achieved from GPU parallelization at both the particle (intra-event) and event levels; this is especially beneficial in conditions expected at the high-luminosity LHC, where extremely high per-event particle multiplicities will result from the many simultaneous proton-proton collisions. We report our experience with porting FastCaloSim to NVIDIA GPUs using CUDA. A preliminary Kokkos implementation of FastCaloSim for portability to other parallel architectures is also described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1976

Monthly mean forecast experiments with the GISS model

The GISS general circulation model was used to compute global monthly mean forecasts for January 1973, 1974, and 1975 from initial conditions on the first day of each month and constant sea surface temperatures. Forecasts were evaluated in terms of global and hemispheric energetics, zonally averaged meridional and vertical profiles, forecast error statistics, and monthly mean synoptic fields. Although it generated a realistic mean meridional structure, the model did not adequately reproduce the observed interannual variations in the large scale monthly mean energetics and zonally averaged circulation. The monthly mean sea level pressure field was not predicted satisfactorily, but annual changes in the Icelandic low were simulated. The impact of temporal sea surface temperature variations on the forecasts was investigated by comparing two parallel forecasts for January 1974, one using climatological ocean temperatures and the other observed daily ocean temperatures. The use of daily updated sea surface temperatures produced no discernible beneficial effect.

Spar, J.↗
NASA NTRS1982

Nonlinear longitudinal resonance interaction of energetic charged particles and VLF waves in the magnetosphere

The longitudinal resonance of waves and energetic electrons in the Earth's magnetosphere, and the possible role this resonance may play in generating various magnetospheric phenomena are studied. The derivation of time-averaged nonlinear equations of motion for energetic particles longitudinally resonant with a whistler mode wave propagating with nonzero wave normal is considered. It is shown that the wave magnetic forces can be neglected at lower particle pitch angles, while they become equal to or larger than the wave electric forces for alpha 20 deg. The time-averaged equations of motion were used in test particle simulation which were done for a wide range of wave amplitudes, wave normals, particle pitch angles, particle parallel velocities, and in an inhomogeneous medium such as the magnetosphere. It was found that there are two classes of particles, trapped and untrapped, and that the scattering and energy exchange for those two groups exhibit significantly different behavior.

Tkalcevic, S.↗
NASA NTRS1990

Analysis and design of a high power, digitally-controlled spacecraft power system

The progress to date on the analysis and design of a high power, digitally controlled spacecraft power system is described. Several battery discharger topologies were compared for use in the space platform application. Updated information has been provided on the battery voltage specification. Initially it was thought to be in the 30 to 40 V range. It is now specified to be 53 V to 84 V. This eliminated the tapped-boost and the current-fed auto-transformer converters from consideration. After consultations with NASA, it was decided to trade-off the following topologies: (1) boost converter; (2) multi-module, multi-phase boost converter; and (3) voltage-fed push-pull with auto-transformer. A non-linear design optimization software tool was employed to facilitate an objective comparison. Non-linear design optimization insures that the best design of each topology is compared. The results indicate that a four-module, boost converter with each module operating 90 degrees out of phase is the optimum converter for the space platform. Large-signal and small-signal models were generated for the shunt, charger, discharger, battery, and the mode controller. The models were first tested individually according to the space platform power system specifications supplied by NASA. The effect of battery voltage imbalance on parallel dischargers was investigated with respect to dc and small-signal responses. Similarly, the effects of paralleling dischargers and chargers were also investigated. A solar array and shunt model was included in these simulations. A model for the bus mode controller (power control unit) was also developed to interface the Orbital replacement Unit (ORU) model to the platform power system. Small signal models were used to generate the bus impedance plots in the various operating modes. The large signal models were integrated into a system model, and time domain simulations were performed to verify bus regulation during mode transitions. Some changes have subsequently been incorporated into the models. The changes include the use of a four module boost discharger, and a new model for the mode controller, which includes the effects of saturation. The new simulations for the boost discharger show the improvement in bus ripple that can be achieved by phase-shifted operation of each of the boost modules.

Lee, F. C.↗
NASA NTRS1991

The plasma physics of shock acceleration

The history and theory of shock acceleration is reviewed, paying particular attention to theories of parallel shocks which include the backreaction of accelerated particles on the shock structure. The work that computer simulations, both plasma and Monte Carlo, are playing in revealing how thermal ions interact with shocks and how particle acceleration appears to be an inevitable and necessary part of the basic plasma physics that governs collisionless shocks is discussed. Some of the outstanding problems that still confront theorists and observers in this field are described.

Jones, Frank C.↗
NASA NTRS1992

Thermal and dynamical regimes of single- and two-phase magmatic flow in dikes

The coupling between thermal and dynamical regimes of single- and two-phase magmatic flow in dikes, due to temperature-dependent viscosity and dissipation, was investigated using finite element calculations of magma flow in dikelike channels with length-to-width ratios of 1000:1 or more. Solutions of the steady state equations governing magma flow are obtained for a variety of conditions ranging from idealized plane-parallel models to cases involving nonparallel geometry and two-phase flows. The implications of the numerical simulations for the dynamics of flow in a dike-reservoir system and the consequences of dike entrance conditions on magmatic storage are discussed. Consideration is also given to an unmixing/self-lubrication mechanism which may be important for the lubrication of silicic magmas rising to the earth's surface in mixed magma ascent scenarios, which naturally segregates magma mixtures of two components with differing viscosities to minimize the driving pressure gradient.

Carrigan, Charles R.↗
NASA NTRS1995

Effect of various approximations on predicted progressive failure in plain weave composites

Three-dimensional finite element analysis was used to simulate progressive failure of a plain weave composite subjected to in-plane extension. The loading was parallel to one of the tow directions. The effects of various characteristics of the finite element model on predicted behavior were examined. The predicted behavior was found to be sensitive to quadrature order, mesh refinement, and the material degradation model. Also the sensitivity of the predictions to the tow waviness was studied. The predicted strength decreased considerably with increased waviness. More numerical studies and comparisons with experimental data are needed to establish reliable guidelines for accurate progressive failure prediction.

Whitcomb, John↗
NASA NTRS1999

Step Bunching: Influence of Impurities and Solution Flow

Step bunching results in striations even at relatively early stages of its development and in inclusions of mother liquor at the later stages. Therefore, eliminating step bunching is crucial for high crystal perfection. At least 5 major effects causing and influencing step bunching are known: (1) Basic morphological instability of stepped interfaces. It is caused by concentration gradient in the solution normal to the face and by the redistribution of solute tangentially to the interface which redistribution enhances occasional perturbations in step density due to various types of noise; (2) Aggravation of the above basic instability by solution flowing tangentially to the face in the same directions as the steps or stabilization of equidistant step train if these flows are antiparallel; (3) Enhanced bunching at supersaturation where step velocity v increases with relative supersaturation s much faster than linear. This v(s) dependence is believed to be associated with impurities. The impurities of which adsorption time is comparable with the time needed to deposit one lattice layer may also be responsible for bunching; (4) Very intensive solution flow stabilizes growing interface even at parallel solution and step flows; (5) Macrosteps were observed to nucleate at crystal corners and edges. Numerical simulation, assuming step-step interactions via surface diffusion also show that step bunching may be induced by random step nucleation at the facet edge and by discontinuity in the step density (a ridge) somewhere in the middle of a face. The corresponding bunching patterns produce the ones observed in experiment. The nature of step bunching generated at the corners and edges and by dislocation step sources, as well as the also relative importance and interrelations between mechanisms 1-5 is not clear, both from experimental and theoretical standpoints. Furthermore, several laws controlling the evolution of existing step bunches have been suggested, though unambiguous conclusions are still missing. Addressing these issues is the major goal of the present project. The theory addressing the above problem, experimental methods, several figures which include: (1) the spatial wave numbers at which the system is neutrally stable as a function of growth velocity for linear kinetics and supersaturation for nonlinear kinetics; (2) a schematic of the experiment of lysozyme crystal growing under conditions of natural convection; (3) fluctuations in time, t, of the normal growth rate, R(t), vicinal slope, p(t) and Fourier Spectra of R(t), discussions and conclusions are presented.

Chernov, A. A.↗
NASA NTRS2001

Multidisciplinary Design Optimization of a Full Vehicle with High Performance Computing

Multidisciplinary design optimization (MDO) of a full vehicle under the constraints of crashworthiness, NVH (Noise, Vibration and Harshness), durability, and other performance attributes is one of the imperative goals for automotive industry. However, it is often infeasible due to the lack of computational resources, robust simulation capabilities, and efficient optimization methodologies. This paper intends to move closer towards that goal by using parallel computers for the intensive computation and combining different approximations for dissimilar analyses in the MDO process. The MDO process presented in this paper is an extension of the previous work reported by Sobieski et al. In addition to the roof crush, two full vehicle crash modes are added: full frontal impact and 50% frontal offset crash. Instead of using an adaptive polynomial response surface method, this paper employs a DOE/RSM method for exploring the design space and constructing highly nonlinear crash functions. Two NMO strategies are used and results are compared. This paper demonstrates that with high performance computing, a conventionally intractable real world full vehicle multidisciplinary optimization problem considering all performance attributes with large number of design variables become feasible.

Yang, R. J.↗
NASA NTRS1997

Pilot Non-Conformance to Alerting System Commands

Instances of pilot non-conformance to alerting system commands have been identified in previous studies. Pilot non-conformance changes the final behavior of the system, and therefore may reduce actual performance from that anticipated. A simulator study has examined pilot non-conformance, using the task of collision avoidance during closely spaced parallel approaches as a case study. Consonance between the display and the alerting system was found to significantly improve subject agreement with automatic alerts. Based on these results, a more general discussion of the factors involved in pilot conformance is given, and design guidelines for alerting systems are given.

Pritchett, Amy R.↗
NASA NTRS2004

An Investigation of the Flow Physics of Acoustic Liners by Direct Numerical Simulation

This report concentrates on reporting the effort and status of work done on three dimensional (3-D) simulation of a multi-hole resonator in an impedance tube. This work is coordinated with a parallel experimental effort to be carried out at the NASA Langley Research Center. The outline of this report is as follows : 1. Preliminary consideration. 2. Computation model. 3. Mesh design and parallel computing. 4. Visualization. 5. Status of computer code development. 1. Preliminary Consideration.

Watson, Willie R.↗
NASA NTRS2006

Electrodynamics in a Very Thin Current Sheet Leading to Magnetic Reconnection

We study the formation of a very thin current sheet (CS) and associated plasma electrodynamics using three-dimensional (3-D) particle-in-cell simulations with ion to electron mass ratio M/m=1836. The CS is driven by imposed anti-parallel magnetic fields. The noteworthy features of the temporal evolution of the CS are the following: (i) Steepening of the magnetic field profile B,(z) in the central part of the CS, (ii) Generation of three-peak current distribution with the largest peak in the CS center as B,(z) steepens, (iii) Generation of converging electric fields forming a potential well in the CS center in which ions are accelerated. (iv) Electron and ion heating in the central part of the CS by current-driven instabilities (CDI). (v) Re-broadening of the CS due to increased kinetic plasma pressure in the CS center. (vi) Generation of electron temperature anisotropy with temperature perpendicular to the magnetic field being larger than the parallel one. (vii) Current disruption by electron trapping in an explosively growing electrostatic instability (EGEI) and electron tearing instability (ETI). (viii)The onset of EGEI coincides with an increase in the electron temperature above the temperature of the initially hot ions as well as the appearance of new shear in the electron drift velocity. (ix) Bifurcation of the central CS by the current disruption. (x) Magnetic reconnection (MR) beginning near the null in B, and spreading outward. (xi) Generation of highly energized electrons reaching relativistic speeds and having isotropic pitch-angle distribution in the region of reconnected magnetic fields. We compare some of these features of the current sheet with results from laboratory and space experiments.

Singh, Nagendra↗