SEARCH · Search NASA

Results for “particle dynamics simulation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 451 records · Page 25

All sources NASA NTRS DOE OSTI

NASA NTRS1984

Computer simulation of surface and film processes

All the investigations which were performed employed in one way or another a computer simulation technique based on atomistic level considerations. In general, three types of simulation methods were used for modeling systems with discrete particles that interact via well defined potential functions: molecular dynamics (a general method for solving the classical equations of motion of a model system); Monte Carlo (the use of Markov chain ensemble averaging technique to model equilibrium properties of a system); and molecular statics (provides properties of a system at T = 0 K). The effects of three-body forces on the vibrational frequencies of triatomic cluster were investigated. The multilayer relaxation phenomena for low index planes of an fcc crystal was analyzed also as a function of the three-body interactions. Various surface properties for Si and SiC system were calculated. Results obtained from static simulation calculations for slip formation were presented. The more elaborate molecular dynamics calculations on the propagation of cracks in two-dimensional systems were outlined.

Tiller, W. A.↗

DOE OSTI2021

Asymmetry between deuterium and tritium turbulent particle flows

The asymmetry between deuterium (D) and tritium (T) turbulent particle fluxes in mixed D–T plasmas is studied with numerical simulations of nonlinear gyrokinetic turbulence in ion temperature gradient-dominated and trapped electron mode-dominated regimes. At 50–50 D–T concentration, the asymmetry, or flow separation, between D and T fluxes is such that the tritium is better confined than the deuterium in both regimes. To supplement the nonlinear simulations, an analytic quasilinear theory of the particle flux symmetry breaking is developed and is valid for general electron dynamics. Furthermore, this theory correctly predicts the numerically computed deviation in the ion density fraction (from 50–50), or ion density gradient (from the electron gradient), required to restore equal deuterium and tritium fluxes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2008

Relativistic Particle-In-Cell Simulations of Particle Accleration in Relativistic Jets

Highly accelerated particles are observed in astrophysical systems containing relativistic jets and shocks, e.g., active galactic nuclei (AGNs), microquasars, and Gamma-Ray Bursts (GRBs). Particle-In-Cell (PIC) simulations of relativistic electron-ion and electron-positron jets injected into a stationary medium show that efficient acceleration occurs downstream in the jet. In collisionless relativistic shocks particle acceleration is due to plasma waves and their associated instabilities, e.g., the Buneman instability, other two-stream instabilities, and the Weibel (filamentation) instability. Simulations show that the Weibel instability is responsible for generating and amplifying highly non-uniform, small-scale magnetic fields. The instability depends on strength and direction of the magnetic field. Particles in relativistic jets may be accelerated in a complicated dynamics of relativistic jets with magnetic field. We present results of our recent PIC simulations.

Nishikawa, K.-I.↗

NASA NTRS2012

High-Performance Modeling and Simulation of Anchoring in Granular Media for NEO Applications

NASA is interested in designing a spacecraft capable of visiting a near-Earth object (NEO), performing experiments, and then returning safely. Certain periods of this mission would require the spacecraft to remain stationary relative to the NEO, in an environment characterized by very low gravity levels; such situations require an anchoring mechanism that is compact, easy to deploy, and upon mission completion, easy to remove. The design philosophy used in this task relies on the simulation capability of a high-performance multibody dynamics physics engine. On Earth, it is difficult to create low-gravity conditions, and testing in low-gravity environments, whether artificial or in space, can be costly and very difficult to achieve. Through simulation, the effect of gravity can be controlled with great accuracy, making it ideally suited to analyze the problem at hand. Using Chrono::Engine, a simulation pack age capable of utilizing massively parallel Graphic Processing Unit (GPU) hardware, several validation experiments were performed. Modeling of the regolith interaction has been carried out, after which the anchor penetration tests were performed and analyzed. The regolith was modeled by a granular medium composed of very large numbers of convex three-dimensional rigid bodies, subject to microgravity levels and interacting with each other with contact, friction, and cohesional forces. The multibody dynamics simulation approach used for simulating anchors penetrating a soil uses a differential variational inequality (DVI) methodology to solve the contact problem posed as a linear complementarity method (LCP). Implemented within a GPU processing environment, collision detection is greatly accelerated compared to traditional CPU (central processing unit)- based collision detection. Hence, systems of millions of particles interacting with complex dynamic systems can be efficiently analyzed, and design recommendations can be made in a much shorter time. The figure shows an example of this capability where the Brazil Nut problem is simulated: as the container full of granular material is vibrated, the large ball slowly moves upwards. This capability was expanded to account for anchors of different shapes and penetration velocities, interacting with granular soils.

Quadrelli, Marco B.↗

DOE OSTI2022

Detailed biomass fast pyrolysis kinetics integrated to computational fluid dynamic (CFD) and discrete element modeling framework: Predicting product yields at the bench-scale

Fast pyrolysis is an intricate process due to the variability and anisotropy of lignocellulosic biomass and the complicated chemistry and physics during conversion in a bubbling fluidized bed reactor (BFBR). The complexity of biomass fast pyrolysis lends itself well to computational fluid dynamics (CFD) and discrete element (DEM) analysis, which promises to reduce experimental time and its associated cost. This work investigated switchgrass fast pyrolysis simulated by computational fluid dynamics coupled with a discrete element method to track individual reacting biomass particles throughout a bench-scale BFBR reactor. We accounted for the fast pyrolysis chemistry through a comprehensive reaction scheme with secondary cracking reactions. We performed a three-step reduction for secondary cracking reactions to convert the full cracking scheme into a reduced scheme easily incorporated into our model. We assessed the impact of operational conditions on the steady-state yields of liquid bio-oil, non-condensable gases (NCG), at 550 °C over a range of fluidization numbers (2 – 6 Umf), reported as a ratio to the minimum fluidization velocity (Umf). At steady-state, the volatile bio-oil yield had a range of 49.3–50.4 wt%. Levoglucosan was the primary volatile component present with 21 wt% of the bio-oil while water was the second largest with 20 wt%. The reduction of the secondary reaction schemes did not appreciably affect the overall yields of switchgrass pyrolysis compared to the full secondary scheme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses

Abstract It is known that deformation in disordered materials such as metallic glasses and supercooled liquids occurs via the cooperative rearrangement of atoms or constituent particles at dynamical heterogeneities, commonly regarded as point-like defects. We show via molecular-dynamics simulations that there is no apparent relationship between atomic rearrangements and the local atomic environment as measured by the atomic-level stresses, kinetic and potential energies, and the per-atom Voronoi volume. In addition, there is only a weak correlation between atomic rearrangements and the largest and smallest eigenvalues of the dynamical matrix. Our results confirm the transient nature of dynamical heterogeneities and suggest that the notion of defects may be less relevant than that of a propensity for rearrangement.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Laser-driven, ion-scale magnetospheres in laboratory plasmas. I. Experimental platform and first results

We report magnetospheres are a ubiquitous feature of magnetized bodies embedded in a plasma flow. While large planetary magnetospheres have been studied for decades by spacecraft, ion-scale “mini” magnetospheres can provide a unique environment to study kinetic-scale, collisionless plasma physics in the laboratory to help validate models of larger systems. In this work, we present preliminary experiments of ion-scale magnetospheres performed on a unique high-repetition-rate platform developed for the Large Plasma Device at the University of California, Los Angeles. The experiments utilize a high-repetition-rate laser to drive a fast plasma flow into a pulsed dipole magnetic field embedded in a uniform magnetized background plasma. 2D maps of the magnetic field with high spatial and temporal resolution are measured with magnetic flux probes to examine the evolution of magnetosphere and current density structures for a range of dipole and upstream parameters. The results are further compared to 2D particle-in-cell simulations to identify key observational signatures of the kinetic-scale structures and dynamics of the laser-driven plasma. We find that distinct 2D kinetic-scale magnetopause and diamagnetic current structures are formed at higher dipole moments, and their locations are consistent with predictions based on pressure balances and energy conservation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Transport coefficient approach for characterizing nonequilibrium dynamics in soft matter

Nonequilibrium states in soft condensed matter require a systematic approach to characterize and model materials, enhancing predictability and applications. Among the tools, X-ray photon correlation spectroscopy (XPCS) provides exceptional temporal and spatial resolution to extract dynamic insight into the properties of the material. However, existing models might overlook intricate details. We introduce an approach for extracting the transport coefficient, denoted as $J(t)$, from the XPCS studies. This coefficient is a fundamental parameter in nonequilibrium statistical mechanics and is crucial for characterizing transport processes within a system. Our method unifies the Green–Kubo formulas associated with various transport coefficients, including gradient flows, particle–particle interactions, friction matrices, and continuous noise. We achieve this by integrating the collective influence of random and systematic forces acting on the particles within the framework of a Markov chain. We initially validated this method using molecular dynamics simulations of a system subjected to changes in temperatures over time. Subsequently, we conducted further verification using experimental systems reported in the literature and known for their complex nonequilibrium characteristics. The results, including the derived $J(t)$ and other relevant physical parameters, align with the previous observations and reveal detailed dynamical information in nonequilibrium states. This approach represents an advancement in XPCS analysis, addressing the growing demand to extract intricate nonequilibrium dynamics. Further, the methods presented are agnostic to the nature of the material system and can be potentially expanded to hard condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1979

Aerosol particles and the formation of advection fog

A study of numerical simulation of the effects of concentration, particle size, mass of nuclei, and chemical composition on the dynamics of warm fog formation, particularly the formation of advection fog, is presented. This formation is associated with the aerosol particle characteristics, and both macrophysical and microphysical processes are considered. In the macrophysical model, the evolution of wind components, water vapor content, liquid water content, and potential temperature under the influences of vertical turbulent diffusion, turbulent momentum, and turbulent energy transfers are taken into account. In the microphysical model, the supersaturation effect is incorporated with the surface tension and hygroscopic material solution. It is shown that the aerosol particles with the higher number density, larger size nuclei, the heavier nuclei mass, and the higher ratio of the Van't Hoff factor to the molecular weight favor the formation of the lower visibility advection fogs with stronger vertical energy transfer during the nucleation and condensation time period.

Hung, R. J.↗

NASA NTRS1990

Plasma particle simulation of electrostatic ion thrusters

Charge exchange collisons between beam ions and neutral propellant gas can result in erosion of the accelerator grid surfaces of an ion engine. A particle in cell (PIC) is developed along with a Monte Carlo method to simulate the ion dynamics and charge exchange processes in the grid region of an ion thruster. The simulation is two-dimensional axisymmetric and uses three velocity components (2d3v) to investigate the influence of charge exchange collisions on the ion sputtering of the accelerator grid surfaces. An example calculation has been performed for an ion thruster operated on xenon propellant. The simulation shows that the greatest sputtering occurs on the downstream surface of the grid, but some sputtering can also occur on the upstream surface as well as on the interior of the grid aperture.

Peng, Xiaohang↗

NASA NTRS1991

A fully coupled flow simulation around spacecraft in low earth orbit

The primary objective of this investigation is to provide a full flow simulation of a spacecraft in low earth orbit (LEO). Due to the nature of the environment, the simulation includes the highly coupled effects of neutral particle flow, free stream plasma flow, nonequilibrium gas dynamics effects, spacecraft charging and electromagnetic field effects. Emphasis is placed on the near wake phenomenon and will be verified in space by the Wake Shield Facility (WSF) and developed for application to Space Station conditions as well as for other spacecraft. The WSF is a metallic disk-type structure that will provide a controlled space platform for highly accurate measurements. Preliminary results are presented for a full flow around a metallic disk.

Justiz, C. R.↗

NASA NTRS2011

Simulation and Twins Observations of the 22 July 2009 Storm

TWINS is the first mission to perform stereo imaging of the Earth's ring current. The magnetic storm on 22 July 2009 was at the time the largest storm observed since TWINS began routine stereo imaging in June 2008. On 22 July 2009, the Dst dropped to nearly .80 nT at 0700 and 1000 UT. During the main phase, and at the peak of the storm, TWINS 1 and 2 were near apogee and moving between predawn and postdawn local time. The energetic neutral atom (ENA) imagers on the two spacecraft captured the storm intensification and the formation of the partial ring current. The peak of the high-altitude ENA emissions was seen in the midnight-to-dawn local time sector. The development of this storm has been simulated using the comprehensive ring current model (CRCM) to understand and interpret the observed signatures. We perform CRCM runs with constant and time-varying magnetic field. The model calculations are validated by comparing the simulated ENA and ion flux intensities with TWINS ENA images and in situ ion data from a THEMIS satellite. Simulation with a static magnetic field produces a strong shielding electric field that skews the ion drift trajectories toward dawn. The model's corresponding peak ENA emissions are always more eastward than those in the observed TWINS images. On the other hand, the simulation with a dynamic magnetic field gives better spatial agreement with both ENA and in situ particle data, suggesting that temporal variations of the geomagnetic field exert a significant influence upon global ring current ion dynamics.

Fok, M.-C.↗

NASA NTRSDate not supplied

Behaviors of Lunar Regolith Simulant Under Varying Gravitational Conditions

Understanding the behavior of regolith in varying gravity conditions is critical for space exploration and future missions. In this work, the gravity-driven hopper flow of lunar regolith simulant in different gravitational accelerations (terrestrial, lunar) is first observed experimentally. Numerical simulations (DEM) are then developed to understand the role which cohesive inter-particle forces play in such gravity-driven flow, using the theoretical framework of granular Bond number. Qualitative comparison between a terrestrial experiment and numerical simulation validated this framework. Following that, we numerically studied the dynamic behavior under varying gravitational conditions (from terrestrial to lunar to asteroid gravitational accelerations). We find that this behavior is extremely sensitive to the interplay of the gravity conditions and the attractive/cohesive forces among particles. The numerical and experimental results show that the complex interaction of these forces can drastically change the dynamics of the material producing effects relevant for variable gravity applications.

Soft Matter↗

DOE OSTI2022

Novel Tube Design for Superheater Heat Exchanger Enabled Via Additive Manufacturing

Superheater tubes are critical boiler components that operate at relatively higher temperatures and pressure. Amongst the primary concerns for these tubes is the deposition of ash particles on the tube surface, leading to the reduced thickness of the tube due to material corrosion, consequently causing early creep failure of the component. In this research, a novel tube design has been proposed which resembles a teardrop or ogive shape to reduce the drag and concurrently improve the creep life of the superheater tubes. To administer the practicality of novel tubes, metal additive manufacturing (AM), for instance, laser-powder bed fusion (L-PBF), has been proposed. These unconventional designs were assessed and compared with the baseline circular tube design for mechanical design requirements (hoop stress and creep life) and the particle and flue gas flow characteristics around the differently shaped tubes. A thermomechanical finite element (FE) analysis was performed for hoop stress calculations. This study also emphasizes on effect of circumferential thermal variation on hoop stress distribution in tubes. Therefore, a detailed two-dimensional (2D) thermal simulation has been performed to report the circumferential thermal variation on the tube. A computational fluid dynamics (CFD) analysis coupled with particle tracing was performed for gas flow visualization and particle tracing around the proposed shapes and baseline circular-shaped tube design. The Schlieren optic setup was built and leveraged for qualitative validation of the proposed design. The complete design methodology established in the paper shows teardrop-shaped tubes better in terms of drag and creep life in contrast to the circular-shaped tube.

42 ENGINEERING↗

NASA NTRS2009

Particle Acceleration and Associated Emission from Relativistic Shocks

Five talks consist of a research program consisting of numerical simulations and theoretical development designed to provide an understanding of the emission from accelerated particles in relativistic shocks. The goal of this lecture is to discuss the particle acceleration, magnetic field generation, and radiation along with the microphysics of the shock process in a self-consistent manner. The discussion involves the collisionless shocks that produce emission from gamma-ray bursts and their afterglows, and producing emission from supernova remnants and AGN relativistic jets. Recent particle-in-cell simulation studies have shown that the Weibel (mixed mode two-stream filamentation) instability is responsible for particle (electron, positron, and ion) acceleration and magnetic field generation in relativistic collisionless shocks. 3-D RPIC code parallelized with MPI has been used to investigate the dynamics of collisionless shocks in electron-ion and electron-positron plasmas with and without initial ambient magnetic fields. In this lecture we will present brief tutorials of RPIC simulations and RMHD simulations, a brief summary of recent RPIC simulations, mechanisms of particle acceleration in relativistic shocks, and calculation of synchrotron radiation by tracing particles. We will discuss on emission from the collisionless shocks, which will be calculated during the simulation by tracing particle acceleration self-consistently in the inhomogeneous magnetic fields generated in the shocks. In particular, we will discuss the differences between standard synchrotron radiation and the jitter radiation that arises in turbulent magnetic fields.

Nishkawa, Ken-Ichi↗

DOE OSTI2025

Impacts of Biomass Feedstock Pre-Processing on Heat and Mass Transfer During Pyrolysis Using X-Ray Computed Tomography and Multiscale Modeling

Knowledge of the transport properties of biomass particles such as porosity, tortuosity, and permeability is paramount for high-fidelity modeling of biomass pyrolysis due to the heat and mass transfer limitations imposed by particle microstructure. X-ray computed tomography (XCT) is a non-destructive imaging method that enables full 3D reconstructions of the biomass particle microstructure with high resolution, permitting direct calculation of porosity, tortuosity, and permeability from real particle geometries. In this study, XCT imaging revealed the 3D microstructures of particles and chars from pyrolytic conversion of cylindrically cut or milled/pelletized loblolly pine samples. The porosity, tortuosity, and permeability were calculated directly from the XCT geometries via open-source microstructural analysis tool MATBOX+TauFactor (https://github.com/NREL/MATBOX_Microstructure_analysis_toolbox) and computational fluid dynamics (CFD) simulations using our solver, Mesoflow (https://github.com/NREL/mesoflow). These properties were used in a reactor scale model developed in COMSOL of the single particle reactor at NREL to investigate the impact of feedstock pre-processing on biomass conversion during pyrolysis with rigorous experimental validation.

biomass↗

NASA NTRS2008

Determining Trajectory of Triboelectrically Charged Particles, Using Discrete Element Modeling

The Kennedy Space Center (KSC) Electrostatics and Surface Physics Laboratory is participating in an Innovative Partnership Program (IPP) project with an industry partner to modify a commercial off-the-shelf simulation software product to treat the electrodynamics of particulate systems. Discrete element modeling (DEM) is a numerical technique that can track the dynamics of particle systems. This technique, which was introduced in 1979 for analysis of rock mechanics, was recently refined to include the contact force interaction of particles with arbitrary surfaces and moving machinery. In our work, we endeavor to incorporate electrostatic forces into the DEM calculations to enhance the fidelity of the software and its applicability to (1) particle processes, such as electrophotography, that are greatly affected by electrostatic forces, (2) grain and dust transport, and (3) the study of lunar and Martian regoliths.

Source record↗

NASA NTRS1987

Kinetic aspects of tail dynamics - Theory and simulation

Kinetic theories relevant to the geomagnetic tail are reviewed. The topics discussed include kinetic instabilities, simulations, and current-sheet particle acceleration. Tearing mode and reconnection theories are emphasized. Kinetic treatment is appropriate for these topics since the tail plasma is collisionless. Fluid calculations are appropriate when stochastic processes dominate and for studies where long wavelengths are important. However, fluid treatments of tearing modes and reconnection require a finite resistivity in the diffusion region. Thus, although 'anomalous resistivity' can be guessed or in some cases calculated, ideally the kinetic treatment is often to be preferred. Particle motion and acceleration in the current sheet can give rise to beam-like distributions in the plasma-sheet boundary layer. Studies of current-sheet particle motion have also been used as the basis for 'kinetic' tail equilibrium models. Furthermore, quite recently current-sheet particle motion is used directly in Coroniti's explosive tail reconnection model. The 'inertial conductivity' from the equilibrium models provides the 'dissipation' necessary for reconnection.

Speiser, T. W.↗