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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Computation of axisymmetric and ionized hypersonic flows using particle and continuum methods

Comparisons between particle and continuum simulations of hypersonic near-continuum flows are presented. The particle approach employs the direct simulation Monte Carlo (DSMC) method, and the continuum approach solves the appropriate equations of fluid flow. Both simulations have thermochemistry models for air implemented including ionization. A new axisymmetric DSMC code that is efficiently vectorized is developed for this study. In this DSMC code, particular attention is paid to matching the relaxation rates employed in the continuum approach. This investigation represents a continuum of a previous study that considered thermochemical relaxation in one-dimensional shock waves of nitrogen. Comparison of the particle and continuum methods is first made for an axisymmetric blunt-body flow of air at 7 km/s. Very good agreement is obtained for the two solutions. The two techniques also compare well for a one-dimensional shock wave in air at 10 km/s. In both applications, the results are found to be sensitive to various aspects of the chemistry model employed.

Boyd, Iain D.↗
NASA NTRS1990

A collision-selection rule for a particle simulation method suited to vector computers

A theory is developed for a selection rule governing collisions in a particle simulation of rarefied gas-dynamic flows. The selection rule leads to an algorithmic form highly compatible with fine grain parallel decomposition, allowing for efficient utilization of supercomputers having vector or massively parallel single instruction multiple data architectures. A comparison of shock-wave profiles obtained using both the selection rule and Bird's direct simulation Monte Carlo (DSMC) method show excellent agreement. The equation on which the selection rule is based is shown to be directly related to the time-counter procedure in the DSMC method. The results of several example simulations of representative rarefied flows are presented, for which the number of particles used ranged from 10 to the 6th to 10 to the 7th demonstrating the greatly improved computational efficiency of the method.

Baganoff, D.↗
NASA NTRSDate not supplied

An Automated Refinement Process for Particle Trajectory Methods in GlennICE

Computational methods for ice accretion can simulate the impact of water drops and ice crystals on an aircraft surface in a Lagrangian reference frame or in the Eulerian reference frame. In the Eulerian reference frame, particles are considered a continuous fluid while in the Lagrangian frame individual particle trajectories are calculated. Methods that use the Eulerian reference frame are typically easier to develop as established modules used for continuum mechanics can be leveraged. The Eulerian systems can also be faster since the user does not have to simulate millions of particles in order to achieve good results. It is imperative therefore that a Lagrangian method optimize the release points of trajectories such that accurate solutions can be obtained while minimizing as much as possible the number of trajectories computed. This paper will present a methodology for this refinement process and demonstrate its effectiveness on sample three dimensional test cases.

William B Wright↗
NASA NTRSDate not supplied

An Automated Refinement Process for Particle Trajectory Methods in GlennICE

Computational methods for ice accretion can simulate the impact of water drops and ice crystals on an aircraft surface in a Lagrangian reference frame or in the Eulerian reference frame. In the Eulerian reference frame, particles are considered a continuous fluid while in the Lagrangian frame individual particle trajectories are calculated. Methods that use the Eulerian reference frame are typically easier to develop as established modules used for continuum mechanics can be leveraged. The Eulerian systems can also be faster since the user does not have to simulate millions of particles in order to achieve good results. It is imperative therefore that a Lagrangian method optimize the release points of trajectories such that accurate solutions can be obtained while minimizing as much as possible the number of trajectories computed. This paper will present a methodology for this refinement process and demonstrate its effectiveness on sample three dimensional test cases.

William Wright↗
DOE OSTI2020

An error-controlled adaptive time-stepping method for particle advancement in coupled CFD-DEM simulations

Coupled Computational-Fluid-Dynamics (CFD) and Discrete-Element-Method (DEM) models provide an accurate description of multiphase physical systems where a solid granular particle phase exists in an underlying gaseous continuous medium. The time integration of the granular phase in these simulations is typically handled using an explicit scheme with a constant time-step among all particles that is invariant in time to resolve inter-particle collisions. A locally third-order accurate adaptive time integration technique for particles that employs an embedded locally second-order scheme for error determination is presented in this work. The particle time-step size is dynamically adapted based on solution error, thus leading to significant savings in computational time. The efficacy of our scheme is quantified using four test cases of varying complexity (binary collision, homogeneous cooling system, fluidized bed and hopper discharge). The adaptive time-stepping method exhibits improved performance (~ 2–3 times in most of the cases studied) compared to three commonly used non-adaptive time-step methods (first-order Euler-explicit, second-order Adams-Bashforth and third-order Runge-Kutta schemes), while maintaining the same level of accuracy and parallel scalability.

42 ENGINEERING↗
DOE OSTI2022

Analysis of contact conditions and microstructure evolution in shear assisted processing and extrusion using smoothed particle hydrodynamics method

Shear assisted processing and extrusion (ShAPE) is a solid-phase processing technique that adds an additional shear force as compared with a conventional extrusion approach. Recently, ShAPE has demonstrated the capability of extruding high-performance aluminum alloy 7075 (AA7075) tubes at speeds up to 12.2 m/min without surface tearing. However, the relationship among the ShAPE processing parameters, thermomechanical conditions, contact conditions, heat generation, and microstructure evolution remains primarily empirical because an insightful understanding of the associated physics is still lacking. To help elucidate these relationships, this work proposes a thermomechanical meshfree model for the first time for ShAPE processing of AA7075 using the smoothed particle hydrodynamics (SPH) method. The meshfree model is first validated thoroughly by experimental data in terms of material flow, die face temperature, and extrusion force with various processing parameters. The validated model is then used to analyze the steady-state contact conditions and heat generation rates during ShAPE processing. Distributions of the average grain size of AA7075 being extruded are calculated using the SPH model output. The meshfree model results reveal that extrusions conducted at lower temperatures and higher strain rates yield more refined grains and possibly higher material strength, which is also consistent with the experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Coated semiconductor particles and methods of making the same

The present disclosure relates to an electrode material that includes a solid core particle having an outer surface and including at least one of a Group II element, a Group III element, a Group IV element, a Group V element, and/or a Group VI element, and a layer including a polymer, where the solid core particle has a characteristic length between greater than zero nanometers and 1000 nm, the layer substantially covers all of the outer surface, the layer has a thickness between greater than zero nanometers 100 nm, and the layer is capable of elastically stretching as a result of expansion and contraction by the solid core.

Ban, Chunmei↗
DOE OSTI2023

Machine learning methods for particle stress development in suspension Poiseuille flows

Numerical simulations are used to study the dynamics of a developing suspension Poiseuille flow with monodispersed and bidispersed neutrally buoyant particles in a planar channel, and machine learning is applied to learn the evolving stresses of the developing suspension. The particle stresses and pressure develop on a slower time scale than the volume fraction, indicating that once the particles reach a steady volume fraction profile, they rearrange to minimize the contact pressure on each particle. Here we consider how the stress development leads to particle migration, time scales for stress development, and present a new physics-informed Galerkin neural network that allows for learning the particle stresses when direct measurements are not possible. The particle fluxes are compared with the Suspension Balance Model with good agreement. We show that when stress measurements are possible, the MOR-physics operator learning method can also capture the particle stresses.

97 MATHEMATICS AND COMPUTING↗
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↗
NASA NTRSDate not supplied

Particle Seeding Method for Small-Scale, High-Pressure Nozzles

NASA tests new launch and reentry vehicle configurations in wind tunnels, where flow visualizations and quantitative flowfield measurements are often desired. Some of these vehicles have rocket motors for propulsion, retro-propulsion, or reaction control. High-pressure air is used to supply these rocket motor plumes. However, it is difficult to make off-body measurements in these regions, for several reasons. First, the plumes themselves lack seeding particles for flow diagnostics, and at the low pressures after expansion, Rayleigh scattering or other molecular techniques yield insufficient signal for flow velocity measurements. Second, the plumes displace particle-seeded tunnel air, preventing measurements in the vicinity of the plume. Third, the plumes force shock waves ahead of the vehicle, which melts the ice crystal fog commonly used for visualization and measurement techniques in certain facilities. In the current work, a novel method for seeding the flow in these small-scale, high-pressure nozzles has been devised and initially demonstrated, potentially enabling quantitative and qualitative measurements with particle-based instruments such as Doppler global velocimetry or particle image velocimetry. The method involves a Venturi contraction to draw the seed liquid out of a reservoir and into the nozzle channel, wherein shearing forces atomize the seed into particles. The concept was tested with a laser sheet visualization, which demonstrated that the flow rate of liquid spray was controllable; a valve could be adjusted to drop the flow rate by up to 65%. This relatively inexpensive and simple technique may prove useful in wind tunnel experiments involving particle-based laser diagnostics and small, high-pressure nozzles.

Aditya S. Acharya↗
NASA NTRSDate not supplied

Particle Seeding Method for Small-Scale, High-Pressure Nozzles

NASA tests new launch and reentry vehicle configurations in wind tunnels, where flow visualizations and quantitative flowfield measurements are often desired. Some of these vehicles have rocket motors for propulsion, retro-propulsion, or reaction control. High-pressure air is used to supply these rocket motor plumes. However, it is difficult to make off-body measurements in these regions, for several reasons. First, the plumes themselves lack seeding particles for flow diagnostics, and at the low pressures after expansion, Rayleigh scattering or other molecular techniques yield insufficient signal for flow velocity measurements. Second, the plumes displace particle-seeded tunnel air, preventing measurements in the vicinity of the plume. Third, the plumes force shock waves ahead of the vehicle, which melts the ice crystal fog commonly used for visualization and measurement techniques in certain facilities. In the current work, a novel method for seeding the flow in these small-scale, high-pressure nozzles has been devised and initially demonstrated, potentially enabling quantitative and qualitative measurements with particle-based instruments such as Doppler global velocimetry or particle image velocimetry. The method involves a Venturi contraction to draw the seed liquid out of a reservoir and into the nozzle channel, wherein shearing forces atomize the seed into particles. The concept was tested with a laser sheet visualization, which demonstrated that the flow rate of liquid spray was controllable; a valve could be adjusted to drop the flow rate by up to 65%. This relatively inexpensive and simple technique may prove useful in wind tunnel experiments involving particle-based laser diagnostics and small, high-pressure nozzles.

lasers↗
DOE OSTI2023

Neural Network Enhanced RKPM for Electrochemical-Mechanical Coupled Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant charge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. For Li-ion batteries, for example, lithium moving between electrodes during charging and discharging process causes expansion and contraction of grains, and the strongly anisotropic and nonlinearly [Li]-dependent grain material properties can cause grains to expand into and contract away from each other, leading to chemo-mechanical cracking. In the first part of this work, a RKPM based computational framework for solving the coupled solid-phase lithium conservation with Fickian diffusion and the lithium concentration dependent anisotropic mechanical problem subjected to a highly nonlinear Butler-Volmer boundary condition is introduced. The choice of RKPM completeness conditions for lithium concentration and mechanical deformation fields, and the variational consistency condition for the domain integration of the coupled problem is first determined. In the second part of this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material, by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that is necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure.

damage modeling↗
NASA NTRS1993

A comparative study of turbulence decay using Navier-Stokes and a discrete particle simulation

A comparative study of the two dimensional temporal decay of an initial turbulent state of flow is presented using a direct Navier-Stokes simulation and a particle method, ranging from the near continuum to more rarefied regimes. Various topics related to matching the initial conditions between the two simulations are considered. The determination of the initial velocity distribution function in the particle method was found to play an important role in the comparison. This distribution was first developed by matching the initial Navier-Stokes state of stress, but was found to be inadequate beyond the near continuum regime. An alternative approach of using the Lees two-sided Maxwellian to match the initial strain-rate is discussed. Results of the comparison of the temporal decay of mean kinetic energy are presented for a range of Knudsen numbers. As expected, good agreement was observed for the near continuum regime, but the differences found for the more rarefied conditions were unexpectedly small.

Goswami, A.↗
NASA NTRS1972

Neutral-particle wake method for measuring the atmospheric temperature from a satellite.

Description of a method that would permit a satellite-borne neutral mass spectrometer to measure the atmospheric temperature. The spectrometer examines the partial pressure variations that occur as the wake of a small rectangular baffle is swept across the entrance orifice of the spectrometer. For a given baffle size and for a mounting distance from the orifice, the depth of the resulting pressure minimum depends only on the thermal velocity or temperature of the observed species. The validity of the method can be checked by measuring the wake characteristics of more than one species and/or by employing each of several baffle sizes. The theory includes the effect of a finite orifice size, finite baffle length, and the backscattering of particles from the baffle into the orifice. It is found that a suitable baffle arrangement can be achieved that will permit the temperature to be measured over at least the range normally encountered in the thermosphere (200 to 2000 K) and, depending on the sensitivity and background pressure of the spectrometer, over an altitude range of about 140 to 600 km.

Brace, L. H.↗
NASA NTRS2012

Particle-Surface Interaction Model and Method of Determining Particle-Surface Interactions

A method and model of predicting particle-surface interactions with a surface, such as the surface of a spacecraft. The method includes the steps of: determining a trajectory path of a plurality of moving particles; predicting whether any of the moving particles will intersect a surface; predicting whether any of the particles will be captured by the surface and/or; predicting a reflected trajectory and velocity of particles reflected from the surface.

Hughes, David W.↗
DOE OSTI2026

Particle Tracking Methods for Battery Precipitation Reactions

Precipitation and deposition reactions at solid–liquid interfaces play a key role in a number of battery chemistries, including Li-ion, so-called “anode free” batteries, zinc-based battery chemistries, and lithium–sulfur, among others. Although models with heterogeneous nucleation and growth phenomena are present in the literature, papers have not to date provided much detail on the numerical algorithms used to track the temporal evolution of the particle size distribution of deposits on electrode surfaces. In this paper we examine several approaches to discretize and track the particle size distribution, demonstrating that common approaches lead to anomalous flattening of the particle size distribution. We conclude by presenting an algorithm that preserves the appropriate particle size distribution during particle growth.

Algorithms↗