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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Modeling an Iodine Hall Thruster Plume in the Iodine Satellite (ISAT)

An iodine-operated 200-W Hall thruster plume has been simulated using a hybrid-PIC model to predict the spacecraft surface-plume interaction for spacecraft integration purposes. For validation of the model, the plasma potential, electron temperature, ion current flux, and ion number density of xenon propellant were compared with available measurement data at the nominal operating condition. To simulate iodine plasma, various collision cross sections were found and used in the model. While time-varying atomic iodine species (i.e., I, I+, I2+) information is provided by HPHall simulation at the discharge channel exit, the molecular iodine species (i.e., I2, I2+) are introduced as Maxwellian particles at the channel exit. Simulation results show that xenon and iodine plasma plumes appear to be very similar under the assumptions of the model. Assuming a sticking coefficient of unity, iodine deposition rate is estimated.

Numerical Simulation↗
DOE OSTI2023

Advancement of hybrid fluid-kinetic modeling for HEDP and ICF science

We report on the development progress of a hybrid fluid-kinetic code for simulating fluids and plasmas in a wide range of environments, such as laser–matter interactions, inertial confinement fusion, magnetic confinement fusion, and pulsed power. The suite of numerical tools under development utilizes heterogeneous computer architectures and leverages the benefits of particle–based simulation techniques. By working to combine the kinetic particle-in-cell (PIC) model with a particle-based fluid simulation technique, such as smoothed particle hydrodynamics, we are developing a flexible framework capable of accurately modeling complex flows within and between kinetic and fluid regimes. The TriForce code is under development as a C++ framework for parallel, 3D, particle-based, hybrid fluid-kinetic plasma simulations. The fluid half of TriForce will be based upon the meshless smoothed-particle-hydrodynamics (SPH) approach, well-suited for shear, mixing, and turbulence, whereas the kinetic half resembles a traditional particle-in-cell (PIC) code; other particle-based approaches to fluid modeling that do use a mesh are also possible to use and are under investigation. Maxwell’s electromagnetic field equations are solved either via explicit or implicit algorithms or approximated via resistive magnetohydrodynamics (MHD) using an Ohm’s law and resulting induction equation (extended MHD is under development). A primary goal of enabling direct comparisons, from the same code, between results from the variants of MHD and implicit electromagnetic solutions is to improve our fundamental understanding of systems with magnetic fields. The code is under development to recover results from both radiation-MHD and fully kinetic codes in those limits, and is continuing to be developed from other follow-on grants to operate in between where both descriptions may co-exist and interact. For certain applications, it is desired for a simulation to contain fluid ions and electrons as well as kinetic ions and electrons. Typically, it is too computationally intensive to model a full-scale ICF or HEDP experiment fully kinetically since many cycles are expended with very small time steps on modeling the fluid part of a material that is well treated by the fluid approximation. In this case, many traditional PIC particles can be replaced with a single fluid particle representing the thermal part of the distribution function, and there are fewer needed kinetic particles, which describe the non-thermal part and can be sub-cycled relative to the fluid particle advance. Furthermore, a pure fluid code may, depending on the problem, simply lack many physically important details that are beyond the scope of its reduced approximations and assumptions. In this report, we summarize the objectives achieved in the development of the collisional and kinetic half of the code, and the physics problems to which the code has been applied in the areas of advanced and innovative fusion concepts, pulsed power, and magneto-inertial fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Coarse Graining Discrete Element Method Information in Particle-in-Cell Length Scales Using a Machine Learning Approach

This report details the development of a machine learning (ML)-driven framework to coarse-grain inter-particle collision dynamics from high-fidelity Discrete Element Method (DEM) simulations to Particle-in-Cell (PIC) scales for gas-solid systems. Traditional PIC models, while computationally efficient, rely on empirical granular stress formulations that fail to capture the full complexity of collision physics, particularly the heterogeneity in particle dynamics. This study adopts a bottom-up approach, integrating insights from DEM simulations to improve the physical fidelity and interpretability of PIC-scale models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The MFiX Particle-in-Cell Method (MFiX-PIC) Theory Guide

MFiX (Multiphase Flow with Interphase eXchanges) is an open-source multiphase flow solver developed at the National Energy Technology Laboratory. Within the code, users have access to a single phase or interpenetrating continua-based multiphase two-fluid model (TFM), a discrete element model (DEM), and a particle-in-cell model (PIC). TFM, DEM, and PIC can all be used to create multiphase simulations that include hydrodynamics, chemical reactions, and heat transfer.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

HiPACE++ v0.1

Hipace++ is the new implementation of the DESY-LBNL code Hipace (not distributed nor licensed) for plasma acceleration, relying on the quasi-static particle-in-cell (PIC) method, enabling fast and accurate simulations of plasma accelerators for problems satisfying the quasi-static approximation. Plasma acceleration is a priority in the ATAP division, and such problems represent a wide range of parameters. Hipace++ is an HPC (high-performance computing) code running on supercomputers and it provides the first efficient implementation of the quasi-static PIC method on Graphic Processing Units (GPU), showing 10x speedup and using much less resources than CPU implementations for production simulations. It currently runs on Nvidia GPUs and will ultimately be portable to more accelerated HPC platforms. The porting strategy is novel, and can be adapted to other flavors of quasi-static PIC. Besides, Hipace++ aims at using mesh refinement for higher efficiency, thus enabling simulations unfeasible today. For this purpose, Hipace++ depends on the open-source library AMReX (Adaptive Mesh Refinement at EXascale) developed at LBNL.

Vay, Jean-Luc↗
DOE OSTI2023

Particle-in-cell Simulations of Relativistic Magnetic Reconnection with Advanced Maxwell Solver Algorithms

Abstract Relativistic magnetic reconnection is a nonideal plasma process that is a source of nonthermal particle acceleration in many high-energy astrophysical systems. Particle-in-cell (PIC) methods are commonly used for simulating reconnection from first principles. While much progress has been made in understanding the physics of reconnection, especially in 2D, the adoption of advanced algorithms and numerical techniques for efficiently modeling such systems has been limited. With the GPU-accelerated PIC code WarpX, we explore the accuracy and potential performance benefits of two advanced Maxwell solver algorithms: a nonstandard finite-difference scheme (CKC) and an ultrahigh-order pseudo-spectral method (PSATD). We find that, for the relativistic reconnection problem, CKC and PSATD qualitatively and quantitatively match the standard Yee-grid finite-difference method. CKC and PSATD both admit a time step that is 40% longer than that of Yee, resulting in a ∼40% faster time to solution for CKC, but no performance benefit for PSATD when using a current deposition scheme that satisfies Gauss’s law. Relaxing this constraint maintains accuracy and yields a 30% speedup. Unlike Yee and CKC, PSATD is numerically stable at any time step, allowing for a larger time step than with the finite-difference methods. We found that increasing the time step 2.4–3 times over the standard Yee step still yields accurate results, but it only translates to modest performance improvements over CKC, due to the current deposition scheme used with PSATD. Further optimization of this scheme will likely improve the effective performance of PSATD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Numerical Investigation of Enhanced Dehumidification Processes By Using Dielectrophoresis Principles in Moist Airflows

Dispersed particle-laden flows are encountered in many building and industrial applications, such as flow in a fluidized bed, hydrocarbon transportation in pipelines, and the fouling of air-cooled heat exchangers (Kuruneru et al., 2016; Ray et al., 2019; Wang et al., 2019). Computational fluid dynamic (CFD) models have been developed in recent years to depict particle-fluid and particle-particle interactions in laminar or turbulent flows with increasing accuracy and stability. One particular particle-laden system of interest for moisture control is electrically-enhanced condensation in air and water droplet flows. Electrically-enhanced condensation consists of the use of highly charged water droplets injected in the moist air. The droplets become electric seeds that attract polar water vapor molecules to their surfaces and promote condensation. The nucleation and growth of the charged droplets deplete the vapor phase near a droplet, which is compensated for by the dielectrophoresis flow and diffusion. Dielectrophoresis flow involves surrounding vapor at a distance of about 10 to 100 nm for droplets charged by an electrospray compared to ~2 nm for a single electron charge in a droplet. As the vapor molecules collapse on the surface of the droplets, their initial electrical charge decreases with time due to the neutralization of the ions. While the physics of this phenomena is well known, engineering models for predicting the condensation rates are not available. This work computationally investigates dehumidification of moist airflow in a converging rectangular duct. The objective is to develop an engineering model that predicts water vapor condensation by employing dielectrophoresis principles. We construct a Computational Fluid Dynamics (CFD) model of the duct with electrically-enhanced condensation. The model is implemented in the open-source software OpenFOAM. We utilize the Multi-Phase Particle-In-Cell (MP-PIC) method coupled with a Population Balance Equation (PBE) approach to simulate the particle-laden system. This methodology is an Eulerian-Lagrangian approach used to simulate the droplets' behavior in the humid air. The MP-PIC approach (Andrews and O'Rourke, 1996) mitigates the computational cost by parceling several fundamental particles with similar properties (such as types, sizes, and temperature) into one computational particle. Thus, the billions of particles can be substituted by millions of computational particles without significant loss of information. The PBE was considered with the Lagrangian frame to combine the particle distribution function used in MP-PIC (Kim et al., 2020). This approach preserves mass and energy conservation between the phases in the Eulerian and Lagrangian structures. The PBE in this procedure was directly linked to the discrete parcels, making the simulation of the particle distribution computationally efficient and robust. The MP-PIC-PBE approach used in the present work was applied to the dehumidification of air. Water droplets were injected in the air stream and forced to grow according to experimentally derived correlation. The experiments were conducted on a converging duct with the same geometry and boundary conditions used to build the CFD model. This approach enabled us to approximate the effect of dielectrophoresis phenomena on the droplet and air interface. This presentation will discuss the details of the new CFD model built for the duct, the implementation of the model in OpenFOAM CFD programming language, and the experimental validation of the newly developed model. The results revealed a moderate yet measurable increase in droplet diameter due to water vapor condensation at the vapor-liquid interface of the electrically charged droplets' surface. The seed water droplet particles grew in size by capturing the water vapor in the surrounding air. The OpenFOAM model predicted reductions of humidity in the air from 5 to 10 percent.

Yel Mahi, Maliha↗
NASA NTRS1989

A general concurrent algorithm for plasma particle-in-cell simulation codes

The general concurrent particle-in-cell (GCPIC) algorithm has been used to implement an electrostatic particle-in-cell code on a 32-node hypercube parallel computer. The GCPIC algorithm decomposes the PIC code by dividing the particle simulation physical domain into subdomains that are equal in number to the number of processors; all subdomains will accordingly possess approximately equal numbers of particles. The portion of the code which updates particle positions and velocities is nearly 100 percent efficient when the number of particles increases linearly with that of hypercube processors.

Liewer, Paulett C.↗
NASA NTRS1990

Concurrent Algorithm For Particle-In-Cell Simulations

Separate decompositions used for particle-motion and field calculations. General Concurrent Particle-in-Cell (GCPIC) algorithm used to implement motions of individual plasma particles (ions and electrons) under influence of particle-in-cell (PIC) computer codes on concurrent processors. Simulates motions of individual plasma particles under influence of electromagnetic fields generated by particles themselves. Performed to study variety of nonlinear problems in plasma physics, including magnetic and inertial fusion, plasmas in outer space, propagation of electron and ion beams, free-electron lasers, and particle accelerators.

Liewer, Paulett C.↗
DOE OSTI2025

Nyström type exponential integrators for strongly magnetized charged particle dynamics

Solving for charged particle motion in electromagnetic fields (i.e. the particle pushing problem) is a computationally intensive component of particle-in-cell (PIC) methods for plasma physics simulations. This task is especially challenging when the plasma is strongly magnetized due numerical stiffness arising from the wide range of time scales between highly oscillatory gyromotion and long term macroscopic behavior. A promising approach to solve these problems is by a class of methods known as exponential integrators that can solve linear problems exactly and are A-stable. This work extends the standard exponential integration framework to derive Nyström-type exponential integrators that integrates the Newtonian equations of motion as a second-order differential equation directly. In particular, we derive second-order and third-order Nyström-type exponential integrators for strongly magnetized particle pushing problems. Numerical experiments show that the Nyström-type exponential integrators exhibit significant improvement in computation speed over the standard exponential integrators.

general physics↗
DOE OSTI2021

Dense Pair and Gamma-Ray Creation Using Ultra-Intense Lasers (Final Technical Report)

Lasers with intensity >1.4x10 18 W.cm -2 irradiating solid targets couple 10-50% of its energy to “hot electrons” near the critical surface, with temperature kT > mc 2 . When these hot electrons impact high-Z target ions (e.g. Au, Pt), they emit copious bremsstrahlung gamma-rays and create e + e - pairs via the Trident process. For targets thicker than ~0.1mm, the gamma-rays create secondary pairs via the Bethe-Heitler processes. The concept of using lasers to create pairs was first studied by Shearer et al (1973). Motivated by the rapid advance of short-pulse ultra-intense lasers based on chirped-pulse amplification, Liang (1994) first proposed irradiating solid Au targets with laser intensity ≥10 20 W.cm -2 to create dense e + e - pairs. Using particle-in-cell (PIC, Birdsall and Langdon, 1991) simulations, Liang et al (1998, 2002) estimated that high-energy PW lasers can in principle achieve ultra-high in-situ pair densities. Subsequent studies supported this idea and found that for gold foils thicker than ~50 μm, the pair yield is dominated by the Bethe-Heitler (BH, Heitler 1954) process. Cowan et al (1999, 2000) using the LLNL Nova PW-laser to irradiate 125μm gold foils first observed pair creation, followed by Chen et al (2009) who demonstrated copious BH pair creation using the Titan, Omega-EP and Orion lasers. However, the emerging e + /e - ratio of these experiments was ≤ few %, and the pair density was only 10 13 /cc so that the pair jet transverse size R(~mm) was < pair skin depth c/ω + (=8πn+e 2 /m) 1/2 ). This was insufficient to qualify as a bona fide ”pair plasma”.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2011

Wind Observations of Wave Heating and/or Particle Energization at Supercritical Interplanetary Shocks

We present the first observations at supercritical interplanetary shocks of large amplitude (> 100 mV/m pk-pk) solitary waves, approx.30 mV/m pk-pk waves exhibiting characteristics consistent with electron Bernstein waves, and > 20 nT pk-pk electromagnetic lower hybrid-like waves, with simultaneous evidence for wave heating and particle energization. The solitary waves and the Bernstein-like waves were likely due to instabilities driven by the free energy provided by reflected ions [Wilson III et al., 2010]. They were associated with strong particle heating in both the electrons and ions. We also show a case example of parallel electron energization and perpendicular ion heating due to a electromagnetic lower hybrid-like wave. Both studies provide the first experimental evidence of wave heating and/or particle energization at interplanetary shocks. Our experimental results, together with the results of recent Vlasov [Petkaki and Freeman, 2008] and PIC [Matsukyo and Scholer, 2006] simulations using realistic mass ratios provide new evidence to suggest that the importance of wave-particle dissipation at shocks may be greater than previously thought.

Wilson, Lynn Bruce, III↗
NASA NTRS2013

Hybrid-PIC Modeling of a High-Voltage, High-Specific-Impulse Hall Thruster

The primary life-limiting mechanism of Hall thrusters is the sputter erosion of the discharge channel walls by high-energy propellant ions. Because of the difficulty involved in characterizing this erosion experimentally, many past efforts have focused on numerical modeling to predict erosion rates and thruster lifespan, but those analyses were limited to Hall thrusters operating in the 200-400V discharge voltage range. Thrusters operating at higher discharge voltages (V(sub d) >= 500 V) present an erosion environment that may differ greatly from that of the lower-voltage thrusters modeled in the past. In this work, HPHall, a well-established hybrid-PIC code, is used to simulate NASA's High-Voltage Hall Accelerator (HiVHAc) at discharge voltages of 300, 400, and 500V as a first step towards modeling the discharge channel erosion. It is found that the model accurately predicts the thruster performance at all operating conditions to within 6%. The model predicts a normalized plasma potential profile that is consistent between all three operating points, with the acceleration zone appearing in the same approximate location. The expected trend of increasing electron temperature with increasing discharge voltage is observed. An analysis of the discharge current oscillations shows that the model predicts oscillations that are much greater in amplitude than those measured experimentally at all operating points, suggesting that the differences in oscillation amplitude are not strongly associated with discharge voltage.

Hall Thrusters↗
NASA NTRS1994

3D Electromagnetic Plasma Particle Simulations on the Intel Delta Parallel Computer

A three-dimensional electromagnetic PIC code has been developed on the 512 node Intel Touchstone Delta MIMD parallel computer. This code is based on the General Concurrent PIC algorithm which uses a domain decomposition to divide the computation among the processors. The 3D simulation domain can be partitioned into 1-, 2-, or 3-dimensional subdomains. Particles must be exchanged between processors as they move among the subdomains.

PIC↗
DOE OSTI2025

Implementation of a Mesh refinement algorithm into the quasi-static PIC code QuickPIC

Plasma-based acceleration (PBA) has emerged as a promising candidate for the accelerator technology used to build a future linear collider and/or an advanced light source. In PBA, a trailing or witness particle beam is accelerated in the plasma wave wakefield (WF) created by a laser or particle beam driver. The WF is often nonlinear and involves the crossing of plasma particle trajectories in real space and thus particle-in-cell methods are used. The distance over which the drive beam evolves is several orders of magnitude larger than the wake wavelength. This large disparity in length scales is amenable to the quasi-static approach. Three-dimensional (3D), quasi-static (QS), particle-in-cell (PIC) codes, e.g., QuickPIC, have been shown to provide high fidelity simulation capability with 2-4 orders of magnitude speedup over 3D fully explicit PIC codes. In PBA, the witness beam needs to be matched to the focusing forces of the WF to reduce the emittance growth. In some linear collider designs, the matched spot size of the witness beam can be 2 to 3 orders of magnitude smaller than the spot size (and wavelength) of the wakefield. Such an additional disparity in length scales is ideal for mesh refinement where the WF within the witness beam is described on a finer mesh than the rest of the WF. A mesh refinement scheme is described that has been implemented into the 3D QS PIC code, QuickPIC. Very fine (high) resolution is used in a small spatial region that includes the witness beam and progressively coarser resolutions in the rest of the simulation domain. A fast multigrid Poisson solver has been implemented for the field solve on the refined meshes and a Fast Fourier Transform (FFT) based Poisson solver is used for the coarse mesh. The code has been parallelized with both MPI and OpenMP, and the parallel scalability has also been improved by using pipelining. A preliminary adaptive mesh refinement technique is described to optimize the computational time for simulations with an evolving witness beam size. Several test problems are used to verify that the mesh refinement algorithm provides accurate results. Additionally, the results are benchmarked against highly resolved simulations exhibiting near-azimuthal symmetry, performed using QPAD—a novel hybrid QS PIC code that uses a PIC description in the coordinates (r, ct – z) and a gridless description in the azimuthal angle, Φ.

Linear collider↗
NASA NTRS2004

Simulations of Solar Wind Plasma Flow Around a Simple Solar Sail

In recent years, a number of solar sail missions of various designs and sizes have been proposed (e.g., Geostorm). Of importance to these missions is the interaction between the ambient solar wind plasma environment and the sail. Assuming a typical 1 AU solar wind environment of 400 km/s velocity, 3.5 cu cm density, ion temperature of approx.10 eV, electron temperature of 40 eV, and an ambient magnetic field strength of 10(exp -4) G, a first order estimate of the plasma interaction with square solar sails on the order of the sizes being considered for a Geostorm mission (50 m x 50 m and 75 m x 75 m corresponding to approx.2 and approx.3 times the Debye length in the plasma) is carried out. First, a crude current balance for the sail surface immersed in the plasma environment and in sunlight was used to estimate the surface potential of the model sails. This gave surface potentials of approx.10 V positive relative to the solar wind plasma. A 3-D, Electrostatic Particle-in-Cell (PIC) code was then used to simulate the solar wind flowing around the solar sail. It is assumed in the code that the solar wind protons can be treated as particles while the electrons follow a Boltzmann distribution. Next, the electric field and particle trajectories are solved self-consistently to give the proton flow field, the electrostatic field around the sail, and the plasma density in 3-D. The model sail was found to be surrounded by a plasma sheath within which the potential is positive compared to the ambient plasma and followed by a separate plasma wake which is negative relative to the plasma. This structure departs dramatically from a negatively charged plate such as might be found in the Earth s ionosphere on the night side where both the plate and its negative wake are contiguous. The implications of these findings are discussed as they apply to the proposed Geostorm solar sail mission.

Garrett, Henry B.↗