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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Gas-Particle Interaction Model Development in Plume Surface Interaction Erosion and Cratering

As part of the Game Changing Development (GCD) Program, funded by NASA’s Space Technology Mission Directorate (STMD), the development of simulation capability for the prediction of extra-terrestrial Plume Surface Interaction (PSI) environments has been undertaken by the Fluid Dynamics Branch at NASA/MSFC. The GCD PSI Project, planned to be completed over a four year period, contains a Predictive Simulation Capability (PSC) Element focused on creating simulation capability for the reliable and accurate prediction of PSI in Martian (~650 Pa) and Lunar (vacuum) ambient environments. In addition to the PSC Element, the GCD Program also contains a companion Ground Testing Element for development of focused datasets for validation of predictive capability as well as a Flight-focused Instrumentation Element. This paper describes the activities and accomplishments of the past year in the gas-particle interaction modeling portion of the GCD PSI project. The objectives of this task are to investigate and construct models of particle drag and gas-particle cloud interactions leading to what is known as particle turbulent kinetic energy (PTKE). While drag on a lone particle suspended in a flow gas of gas is well-known, the drag and drag-induced dynamics of a cloud of particles in a gas flow are not. The PSC element of the PSI project requires models of gas-particle cloud interactions to implement in the Gas Granular Flow Solver (GGFS) in order to arrive at a predictive simulation capability for PSI-induced soil erosion, cratering and ejecta transport. Experiments of dilute mixtures of soil particles in supersonic gas flow are being conducted at Johns Hopkins University in order to provide a dataset describing gas-particle cloud interactions. Augmented by a separate funding source are efforts to perform small-scale particle-resolved direct numerical simulations (PR-DNS) and larger scale Eulerian-Lagrangian simulations. Together, these experiments and simulations are being used to devise models of particle cloud drag and particle cloud drag-induced dynamics. The final product of these efforts will be particle drag models suitable for implementation into the GGFS application and a PTKE model suitable for the same purpose.

Jeff West↗
DOE OSTI2022

Smoothed particle hydrodynamics modeling and analysis of oxide reduction process for uranium oxides

A common kinetic feature for oxide reduction chemical/electrochemical processes is oxygen transport via a porous metallic layer, which has been considered as a rate-determining step for reducing uranium oxides to metallic uranium. Accounting this kinetic behavior must involve the resolution of the moving reactive interface between shrinking oxide and expanding metal phases. This study presents a numerical model using smoothed particles hydrodynamics (SPH) to effectively deal with the evolution of the shrinking core reaction interface and oxygen transport via mass transfer of lithium oxide (Li 2 O) species in multiple mass transfer domains. We successfully validated the proposed model against a theoretical derivation for the oxide reduction process handling a shrinking oxide core with molten salt and metal ash medium on a simple planar geometry. Armed with successful validation results, the model examined a realistic reactant geometry to extend the arguments beyond the one-dimensional analyses, allowing the proposed model to apply to general application scenarios with multi-dimensional geometry. Here, this study demonstrated that the proposed model could simulate and evaluate an arbitrary reaction basket design without iterative experimental trials, which is prohibitive for a scaled high-temperature molten salt study in an inert environment. The construct potentially provides not only deep insights on multiphysics behaviors governing the process dynamics but also a robust framework for evaluating and screening candidate basket designs in the most cost-effective manner.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1983

Evaluation of a stochastic model of particle dispersion in a turbulent round jet

A stochastic model of particle dispersion by turbulence, proposed by Gosman and Ioannides (1981), is evaluated. The method employs a k-epsilon model to estimate turbulence properties. Dispersion is determined by computing particle motion, with random sampling to obtain instantaneous flow properties for a statistically significant number of particle trajectories. The stochastic model yields good results particularly when eddy lifetimes are evaluated. The method allows the effects of large relative velocities between the particles and the flow, drag properties at Reynolds numbers greater than the Stokes flow regime, and the variations of local turbulence properties to be readily handled, at least for boundary layer flows.

Shuen, J.-S.↗
DOE OSTI2013

KINETIC MODELING OF PARTICLE ACCELERATION IN A SOLAR NULL-POINT RECONNECTION REGION

The primary focus of this paper is on the particle acceleration mechanism in solar coronal three-dimensional reconnection null-point regions. Starting from a potential field extrapolation of a Solar and Heliospheric Observatory (SOHO) magnetogram taken on 2002 November 16, we first performed magnetohydrodynamics (MHD) simulations with horizontal motions observed by SOHO applied to the photospheric boundary of the computational box. After a build-up of electric current in the fan plane of the null point, a sub-section of the evolved MHD data was used as initial and boundary conditions for a kinetic particle-in-cell model of the plasma. We find that sub-relativistic electron acceleration is mainly driven by a systematic electric field in the current sheet. A non-thermal population of electrons with a power-law distribution in energy forms in the simulated pre-flare phase, featuring a power-law index of about -1.78. This work provides a first step toward bridging the gap between macroscopic scales on the order of hundreds of Mm and kinetic scales on the order of centimeter in the solar corona, and explains how to achieve such a cross-scale coupling by utilizing either physical modifications or (equivalent) modifications of the constants of nature. With their exceptionally high resolution-up to 135 billion particles and 3.5 billion grid cells of size 17.5 km-these simulations offer a new opportunity to study particle acceleration in solar-like settings.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

Space Launch Vehicle Transient Particle Redistribution Modeling and Implications for Optically Sensitive Payloads

The performance of contamination sensitive components—such as optical components—can be degraded by particulate matter depositing on the surfaces. Particles can accumulate during manufacturing, handling and operation. For a space-based system, particles can shed from the fairing and redistribute onto sensitive surfaces during launch. An engineering modeling approach has been developed for modeling particle migration during launch. The approach involves particle detachment from the fairing, particle transport through the venting atmosphere inside the fairing, and attachment to the receiving surface. Particle size and amounts on the fairing surface can be modeled using distributions from standards, such as IEST-STD-CC1246E, as well as from empirical data obtained from tape lifts. Surface interactions are modeled using theoretical as well as empirical data. Commercial computational fluid dynamics codes are used to calculate the gas flow in the fairing during depressurization during launch. This approach not only provides insight into particle redistribution during launch but also can be used to establish fairing cleanliness requirements.

Brieda, Lubos↗
NASA NTRS1985

Constraints of solar flare particle transport models from anisotropy observations at Voyager 1

In general a particle transport model for energetic solar flare particles contains a number of free parameters which are determined by fitting various features of observed particle events. Frequently the parameter values are not uniquely determined. In order to place tighter constraints on the models, the anisotropy of 1 and 25 MeV/nuc protons and helium nuclei were examined during the 22 November 1977 solar particle event using data from the LECP experiment on Voyager 1 at 1.6 AU. These observations were combined with the time intensity profiles at Voyager 1 and at 1 AU from ISEE-1 and IMP-8 to determine the magnitude and radial dependence of the interplanetary diffusion coefficient and the required injection duration at the sun. The first order anisotropy amplitudes for both 1 MeV and 25 MeV protons are observed to decrease from maximum values (approx. 1) during the event onset at Voyager 1 to values consistent with convection in the solar wind at about 3 days into the event decay phase. The intensity and anisotropy profiles at 1.6 AU are consistent with predictions of diffusive transport with a modest mean free path (lambda = approx. 0.1 AU).

Hamilton, D. C.↗
DOE OSTI2021

LaMer's 1950 model of particle formation: a review and critical analysis of its classical nucleation and fluctuation theory basis, of competing models and mechanisms for phase-changes and particle formation, and then of its application to silver halide, semiconductor, metal, and metal-oxide nanoparticles

Are classical nucleation theory and the 1950 LaMer model of particle formation supported for a wide range of particle formations, or do competing models in the form of chemical reaction mechanisms have better experimental support? Read on to find out.

Whitehead, Christopher B.↗
DOE OSTI2025

New electric force and charge exchange modules in discrete element model enables particle dynamics simulation in electric field

Discrete element modeling (DEM) is an important technique for particle dynamics simulation. The field of metal additive manufacturing often utilizes DEM to simulate the rheological behaviors of powder. Standard contact and short-range interactions are sufficient in most cases but insufficient to describe the particle dynamics with the influence of an electric field. Modeling such a system requires additional physics to describe the particle–field interactions. The relevant physics has been experimentally understood but is not yet available in DEM. Here, we develop a charge exchange and an electric force module. The electric force module governs particle response to the electric field, while the charge exchange module enables particles to acquire proper charge during contact with charged geometries. We validate the modules against analytical calculations and high-speed videos of electrostatic powder deposition experiments. Notably, the model struggles to capture the initial particle levitation. We later deploy a modified electric field, as supported by static electric field simulation, to better approximate the electric field penetration into the powder layer. This modification improves the model’s capability of simulating realistic particle levitation. The results highlight the challenges of modeling particle behaviors in the electric field while demonstrating the feasibility of obtaining quantitative results, which are difficult to measure experimentally.

charge exchange↗
DOE OSTI2013

The Lagrangian particle dispersion model FLEXPART-WRF VERSION 3.1

The Lagrangian particle dispersion model FLEXPART was originally designed for cal- culating long-range and mesoscale dispersion of air pollutants from point sources, such as after an accident in a nuclear power plant. In the meantime FLEXPART has evolved into a comprehensive tool for atmospheric transport modeling and analysis at different scales. This multiscale need from the modeler community has encouraged new developments in FLEXPART. In this document, we present a version that works with the Weather Research and Forecasting (WRF) mesoscale meteoro- logical model. Simple procedures on how to run FLEXPART-WRF are presented along with special options and features that differ from its predecessor versions. In addition, test case data, the source code and visualization tools are provided to the reader as supplementary material.

Brioude, J.↗
DOE OSTI2019

Particle scale modeling of CuFeAlO 4 during reduction with CO in chemical looping applications

Particle scale models that couple reaction phenomena to changes in the solid-state chemistry of an oxygen carrier system are critical to the advancement of the chemical looping concept by allowing for a means to assess process scale up. This work presents an analysis of the reduction for a CuFeAlO 4 oxygen carrier with Carbon Monoxide (CO). The analysis was utilized to aid in the application of particle scale model representation of the carrier system. An experimentally driven study was conducted to provide an array of operational/parametric data sets for the analysis and their impact accessed. Quantification of the cubic spinel oxide phase and changes due to lattice oxygen depletion from reduction were explored to link the solid-state chemistry changes to the reaction progression. Reduction occurred in a multistep process as oxygen was depleted from the structure. Oxygen bound to Cu cations were the first to react with CO. As oxygen was depleted further phase re-orientation occurred resulting in an iron based aluminate (FeAl 2 O 4 ) with discrete metallic copper present. FeAl 2 O 4 was further depleted of oxygen to metallic Fe and alumina. The multistep process was emulated through the use of a multi-interface Grainy pellet model. To add to the utility of the model, the effects of product gas, CO 2 , on the reaction progression were incorporated into the description. In addition, the catalytic effects of the Boudouard reaction were examined and incorporated into the representation adding to the novelty of the work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Modeling of Particle Acceleration at Multiple Shocks via Diffusive Shock Acceleration: Preliminary Results

Successful forecasting of energetic particle events in space weather models require algorithms for correctly predicting the spectrum of ions accelerated from a background population of charged particles. We present preliminary results from a model that diffusively accelerates particles at multiple shocks. Our basic approach is related to box models in which a distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles outside the box. We adiabatically decompress the accelerated particle distribution between each shock by either the method explored in Melrose and Pope (1993) and Pope and Melrose (1994) or by the approach set forth in Zank et al. (2000) where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (E(sub max)) appropriate for quasi-parallel and quasi-perpendicular shocks and provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum (i.e., a non-Markovian process).

Parker, L. Neergaard↗
NASA NTRS2003

Developing Antimatter Containment Technology: Modeling Charged Particle Oscillations in a Penning-Malmberg Trap

The NASA MSFC Propulsion Research Center (PRC) is conducting a research activity examining the storage of low energy antiprotons. The High Performance Antiproton Trap (HiPAT) is an electromagnetic system (Penning-Malmberg design) consisting of a 4 Tesla superconductor, a high voltage confinement electrode system, and an ultra high vacuum test section; designed with an ultimate goal of maintaining charged particles with a half-life of 18 days. Currently, this system is being experimentally evaluated using normal matter ions which are cheap to produce and relatively easy to handle and provide a good indication of overall trap behavior, with the exception of assessing annihilation losses. Computational particle-in-cell plasma modeling using the XOOPIC code is supplementing the experiments. Differing electrode voltage configurations are employed to contain charged particles, typically using flat, modified flat and harmonic potential wells. Ion cloud oscillation frequencies are obtained experimentally by amplification of signals induced on the electrodes by the particle motions. XOOPIC simulations show that for given electrode voltage configurations, the calculated charged particle oscillation frequencies are close to experimental measurements. As a two-dimensional axisymmetric code, XOOPIC cannot model azimuthal plasma variations, such as those induced by radio-frequency (RF) modulation of the central quadrupole electrode in experiments designed to enhance ion cloud containment. However, XOOPIC can model analytically varying electric potential boundary conditions and particle velocity initial conditions. Application of these conditions produces ion cloud axial and radial oscillation frequency modes of interest in achieving the goal of optimizing HiPAT for reliable containment of antiprotons.

Chakrabarti, S.↗
DOE OSTI2026

A point-particle-based hydride shell-shedding model for ejecta particle transport in reactive environments

A shock wave passing over a rough or perturbed metal surface will induce a limiting case of Richtmyer–Meshkov instability and will cause small particles to eject from the surface and transport into the surrounding medium. These particles are known as ejecta and can be either solid or liquid in nature. Recent experiments have shown that liquid cerium ejecta clouds exhibit unexpected non-monotonic acceleration behaviors as well as temperature plateaus after a brief temperature rise if they are transporting in a chemically reactive, hydrogen-based medium while they act as expected in an inert medium. This work details a point-particle model developed for reactive cerium ejecta transport, which attempts to account for these new physics through the behavior of a developing solid hydride shell, which is believed to form as a product of the reaction. The overall model incorporates the effects of the reaction on the particle properties as well as the effects of potential shedding of the shell into sub-micrometer scale flakes and potential phase change of the hydride if the ejecta particles reach the melt point of the hydride layer. The model is tested by performing simulations of the original motivating experiments and comparing quantities, such as ejected mass, velocimetry, and temperature profiles, against the experimental data. While the model is able to capture many general features of the observed anomalies, some inaccuracies still exist. These point to both missing physics in the model (such as a deuterium adsorption mechanism on the hydride layer) as well as a lack of knowledge of certain material properties (such as the strength of cerium hydride to determine dynamic fracture thicknesses) needed to fully reduce the uncertainties in the model by up to an order of magnitude and perform a true attempt at model validation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A hybrid point-particle force model that combines physical and data-driven approaches

Here this study improves upon the physics-based pairwise interaction extended point-particle (PIEP) model. The PIEP model leverages our physical understanding to predict fluid mediated interactions between solid particles. By considering the relative location of neighboring particles, the PIEP model is able to provide better predictions than existing drag models. While the current physical PIEP model is a powerful tool, its assumptions lead to increased error in flows with higher particle volume fractions. To reduce this error, a regression algorithm makes direct use of the results of direct numerical simulations (DNS) of an array of monodisperse solid particles subjected to uniform ambient flow at varying Reynolds numbers. The resulting statistical model and the physical PIEP model are superimposed to construct a hybrid, physics-based data-driven PIEP model. It must be noted that the performance of a pure data-driven approach without the model-form provided by the physical PIEP model is substantially inferior. The hybrid model's predictive capabilities are analyzed using additional DNS data that was not part of training the data-driven model. In every case tested, the hybrid models resulting from the regression were capable of (1) improving upon the physical PIEP model's prediction and (2) recovering underlying relevant physics from the DNS data. As the particle volume fraction increases, the physical PIEP model loses the ability to approximate the forces experienced by the particles, but the statistical model continues to produce accurate approximations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Coupling particle scale model and SuperDEM–CFD for multiscale simulation of biomass pyrolysis in a packed bed pyrolyzer

An efficient biomass pyrolysis process requires a comprehensive understanding of the chemical and physical phenomena that occur at multi-length and time scales. In this study, a multiscale computational approach was developed and validated for biomass pyrolysis in a packed-bed reactor by integrating pyrolysis kinetics, a particle scale model, and SuperDEM-CFD in open-source code MFiX. A one-dimensional particle-scale model that discretizes the characteristic length of biomass particle into layers was developed to predict the intraparticle phenomena inside a single particle. The 1D model was validated by comparing it with a single biomass particle pyrolysis experiment. Here, a recently developed SuperDEM-CFD model was employed to simulate the non-spherical particle-particle contact and fluid-particle interaction. The coupled model was applied to simulate the pyrolysis of cubic biomass particles in a packed bed and validated by comparing with experimental data. Simulation with and without particle-scale model was compared, and the effect of the gas-solid heat transfer models was also investigated.

09 BIOMASS FUELS↗
DOE OSTI2016

ℤ{sub 2} SIMP dark matter

Dark matter with strong self-interactions provides a compelling solution to several small-scale structure puzzles. Under the assumption that the coupling between dark matter and the Standard Model particles is suppressed, such strongly interacting massive particles (SIMPs) allow for a successful thermal freeze-out through N-to-N{sup ′} processes, where N dark matter particles annihilate to N{sup ′} of them. In the most common scenarios, where dark matter stability is guaranteed by a ℤ{sub 2} symmetry, the seemingly leading annihilating channel, i.e. 3-to-2 process, is forbidden, so the 4-to-2 one dominate the production of the dark matter relic density. Moreover, cosmological observations require that the dark matter sector is colder than the thermal bath of Standard Model particles, a condition that can be dynamically generated via a small portal between dark matter and Standard Model particles, à la freeze-in. This scenario is exemplified in the context of the Singlet Scalar dark matter model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Predictive Model for Particle Residence Time Distributions in Riser Reactors. Part 1: Model Development and Validation

Here in this computational study, we model the mixing of biomass pyrolysis vapor with solid catalyst in circulating riser reactors with a focus on the determination of solid catalyst residence time distributions (RTDs). A comprehensive set of 2D and 3D simulations were conducted for a pilot-scale riser using the Eulerian-Eulerian two-fluid modeling framework with and without sub-grid-scale models for the gas-solids interaction. A validation test case was also simulated and compared to experiments, showing agreement in the pressure gradient and RTD mean and spread. For simulation cases, it was found that for accurate RTD prediction, the Johnson and Jackson partial slip solids boundary condition was required for all models and a sub-grid model is useful so that ultra high resolutions grids that are very computationally intensive are not required. Finally, we discovered a 2/3 scaling relation for the RTD mean and spread when comparing resolved 2D simulations to validated unresolved 3D sub-grid-scale model simulations.

09 BIOMASS FUELS↗
DOE OSTI2012

Constants of motion of the four-particle Calogero model

We present the explicit expressions of the complete set of constants of motion of four-particle Calogero model with excluded center of mass, i.e. of the A{sub 3} rational Calogero model. Then we find the constants of motion of its spherical part, defining two-dimensional 12-center spherical oscillator, with the force centers located at the vertexes of cuboctahedron.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗