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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Average nonlinear dynamics of particles in gravitational pulses: Effective Hamiltonian, secular acceleration, and gravitational susceptibility

Particles interacting with a prescribed quasimonochromatic gravitational wave (GW) exhibit secular (average) nonlinear dynamics that can be described by Hamilton’s equations. We derive the Hamiltonian of this “ponderomotive” dynamics to the second order in the GW amplitude for a general background metric. For the special case of vacuum GWs, we show that our Hamiltonian is equivalent to that of a free particle in an effective metric, which we calculate explicitly. We also show that already a linear GW pulse displaces a particle from its unperturbed trajectory by a finite distance that is independent of the GW phase and proportional to the integral of the pulse intensity.This effect is independent from the nonlinear memory effects that has been known. We calculate the particle displacement analytically and show that our result is in agreement with numerical simulations. We also show how the Hamiltonian of the nonlinear averaged dynamics naturally leads to the concept of the linear gravitational susceptibility of a particle gas with an arbitrary phase-space distribution. We calculate this susceptibility explicitly to apply it, in a follow-up paper, toward studying self-consistent GWs in inhomogeneous media within the geometrical-optics approximation

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2008

A Modification and Analysis of Lagrangian Trajectory Modeling and Granular Dynamics of Lunar Dust Particles

A previously developed mathematical model is amended to more accurately incorporate the effects of lift and drag on single dust particles in order to predict their behavior in the wake of high velocity gas flow. The model utilizes output from a CFD or DSMC simulation of exhaust from a rocket nozzle hot gas jet. An extension of the Saffman equation for lift based on the research of McLaughlin (1991) and Mei (1992) is used, while an equation for the Magnus force modeled after the work of Oesterle (1994) and Tsuji et al (1985) is applied. A relationship for drag utilizing a particle shape factor (phi = 0.8) is taken from the work of Haider and Levenspiel (1989) for application to non-spherical particle dynamics. The drag equation is further adjusted to account for rarefaction and compressibility effects in rarefied and high Mach number flows according to the work of Davies (1945) and Loth (2007) respectively. Simulations using a more accurate model with the correction factor (Epsilon = 0.8 in a 20% particle concentration gas flow) given by Richardson and Zaki (1954) and Rowe (1961) show that particles have lower ejection angles than those that were previously calculated. This is more prevalent in smaller particles, which are shown through velocity and trajectory comparison to be more influenced by the flow of the surrounding gas. It is shown that particles are more affected by minor changes to drag forces than larger adjustments to lift forces, demanding a closer analysis of the shape and behavior of lunar dust particles and the composition of the surrounding gas flow.

Long, Jason M.↗
DOE OSTI2022

Theoretical Investigation of the Oxygen Reduction Reaction over Platinum Catalysts Supported by Multi-Edged Vertically Aligned Carbon Nanofiber for Electrocatalyst Preparation

Vertically aligned carbon nanofibers (VACNFs) are promising supports for oxygen reduction reaction (ORR) electrocatalysts in fuel cells. Although experimentally these catalytic systems have shown great potential, there is lack of molecular understanding of the catalytic sites and reaction mechanisms. This work investigated the origin of the ORR reactivities of the platinum catalysts on multi-edged VACNFs (Pt/VACNF) using a multiscale modeling approach combining Density Functional Theory (DFT) and classical Molecular Dynamics (MD) simulations. Based on the ReaxFF potential, here all nanoscale Pt particles (Pt 55 , P 100 , and Pt 147 ) are stabilized by the open edges located axially along the VACNF walls. The calculated first-shell coordination numbers, CN, of surface Pt atoms are 6.63, 7.27, and 7.85, respectively, suggesting that the percentage of low coordination sites increases as the particle size decreases. The adsorption energies of OOH, O, and OH on Pt-55 were systematically probed using DFT calculations. These adsorption energies retain a linear correlation against the generalized coordination numbers ($\overline{CN}$). For Pt nanoparticles supported on VACNF, we found that the OOH and OH bind stronger than on Pt (111) by 0.14 and 0.17 eV, respectively, which can hinder the ORR activity with lower limiting potential than Pt (111). Our theoretical prediction is in good agreement with the linear sweeping voltammetry that revealed a left shift of the half-wave potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Collective behavior of “flexicles”

In recent years the functionality of synthetic active microparticles has edged even closer to that of their biological counterparts. However, we still lack the understanding needed to recreate at the microscale key features of autonomous behavior exhibited by microorganisms or swarms of macroscopic robots. In this study, we propose a model for a three-dimensional deformable cellular composite particle consisting of self-propelled rod-shaped colloids confined within a flexible vesicle—representing a superstructure we call a “flexicle” that couples particle deformation to the internal dynamics of the internal active components. Using molecular dynamics simulations, we investigate the collective behavior of dense systems composed of many flexicles. We show that individual flexicles exhibit shape changes upon collisions with other flexicles that lead to rearrangements of the internal active rods, which slows flexicle motion. This shape deformability gives rise to a diverse set of motility-induced phase separation phenomena and the spontaneous flow of flexicles reminiscent of the migration of cells in dense tissues. Our findings establish a foundation for designing responsive, cell-like active particles and developing strategies for controlling swarm migration and other autonomous swarm behaviors at cellular and colloidal scales.

Science & Technology - Other Topics↗
DOE OSTI2020

Pinning dislocations in colloidal crystals with active particles that seek stacking faults

There is growing interest in functional, adaptive devices built from colloidal subunits of micron size or smaller. A colloidal material with dynamic mechanical properties could facilitate such microrobotic machines. Here we study via computer simulation how active interstitial particles in small quantities can be used to modify the bulk mechanical properties of a colloidal crystal. Passive interstitial particles are known to pin dislocations in metals, thereby increasing resistance to plastic deformation. We extend this tactic by employing anisotropic active interstitials that travel super-diffusively and bind strongly to stacking faults associated with partial dislocations. We find that: (1) interstitials that are effective at reducing plasticity compromise between strong binding to stacking faults and high mobility in the crystal bulk. (2) Reorientation of active interstitials in the crystal depends upon rotational transitions between high-symmetry crystal directions. (3) The addition of certain active interstitial shapes at concentrations as low as 60 per million host particles (0.006%) can create a shear threshold for dislocation migration. This work demonstrates how active materials in a dense matrix can locally sense their environment and lead to bulk property changes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Radiative Reconnection-powered TeV Flares from the Black Hole Magnetosphere in M87

Abstract Active galactic nuclei in general, and the supermassive black hole in M87 in particular, show bright and rapid gamma-ray flares up to energies of 100 GeV and above. For M87, the flares show multiwavelength components, and the variability timescale is comparable to the dynamical time of the event horizon, suggesting that the emission may come from a compact region near the nucleus. However, the emission mechanism for these flares is not well understood. Recent high-resolution general-relativistic magnetohydrodynamic simulations show the occurrence of episodic magnetic reconnection events that can power flares near the black hole event horizon. In this work, we analyze the radiative properties of the reconnecting current layer under the extreme plasma conditions applicable to the black hole in M87 from first principles. We show that abundant pair production is expected in the vicinity of the reconnection layer, to the extent that the produced secondary pair plasma dominates the reconnection dynamics. Using analytic estimates backed by two-dimensional particle-in-cell simulations, we demonstrate that in the presence of strong synchrotron cooling, reconnection can produce a hard power-law distribution of pair plasma imprinted in the outgoing synchrotron (up to a few tens of MeV) and the inverse-Compton signal (up to TeV). We produce synthetic radiation spectra from our simulations, which can be directly compared with the results of future multiwavelength observations of M87* flares.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Pore-scale CFD simulations of clay mobilization in natural porous media due to fresh water injection

The present work investigates mechanisms of permeability impairment as a result of low-salinity fluid injection into brine-saturated porous media containing dispersible clays. Here, we present a computational fluid dynamics model at the pore-scale to simulate detachment, migration and straining of fine particles in porous media. The model uses an immersed boundary method to simulate the motion of clay fines in a fluid. In addition to the hydrodynamic forces, we model the Derjaguin-Landau-Verwey-Overbeek forces (DLVO) between clay fines and grains. Our simulations show the impact of the injected fluid's salinity and velocity on the concentration of clay fines retained on the grain surface. We see clay particles dislodging from the grain surface in clusters of up to 12 particles. Our simulation results also demonstrate clogging of narrow pore spaces by the detached particles from the grain surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Coordinate versus momentum cuts and effects of collective flow on critical fluctuations

We analyze particle number fluctuations in the crossover region near the critical endpoint of a first-order phase transition by utilizing molecular dynamics simulations of the classical Lennard-Jones fluid. We extend our previous study [V. A. Kuznietsov , ] by incorporating longitudinal collective flow. The scaled variance of particle number distribution inside different coordinate and momentum space acceptances is computed through ensemble averaging and found to agree with earlier results obtained using time averaging, validating the ergodic hypothesis for fluctuation observables. Presence of a sizable collective flow is found to be essential for observing large fluctuations from the critical point in momentum space acceptances. We discuss our findings in the context of heavy-ion collisions. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Resonant dynamics of one-side multipactor on dielectric

Breakdown of dielectric radio frequency (RF) windows is an important issue for particle accelerators and high-power RF sources. One of the common reasons for RF window failure is the multipactor on a dielectric surface. The multipactor may be responsible for excessive heating of the dielectric and discharge of charges that accumulated in the ceramic due to secondary emission. In this study, comprehensive self-consistent particle-in-cell simulations with space charge effect were performed. This was to better understand the dynamic of one-side multipactor development and floating potential on the dielectric induced by the emission. The important correlations between the multipactor parameters at saturation, the secondary emission properties of dielectric, and the applied RF field parameters have been found, which led to the conclusion that the dynamics of one-side multipactor on dielectric is a resonant phenomenon.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Positional ordering induced by dynamic steric interactions in superparamagnetic rods

The dynamic motion produced by precessing magnetic fields can drive matter into far-from-equilibrium states. We predict 1D periodic ordering in systems of precessing rods when magnetic interactions between rods remain insignificant. The precession angle of the rods is completely determined by the field's precession angle and the ratio of the field's precession frequency and the characteristic response frequency of the rods. Here, we develop a molecular dynamics model that explicitly calculates magnetic interactions between particles, and we also simulate rods in the limit of a strong and fast precessing magnetic field where inter-rod magnetic interactions are negligible, using a purely steric model. Our simulations show how steric interactions drive the rods from a positionally disordered phase (nematic) to a layered (smectic) phase. As the rod precession angle increases, the nematic–smectic transition density significantly decreases. The minimization of unfavorable steric interactions also induces phase separation in binary mixtures of rods of different lengths. This effect is general to any force that produces precession in elongated particles. This work will advance the understanding and control of out-of-equilibrium soft matter systems.

42 ENGINEERING↗
DOE OSTI2020

Mean force kinetic theory applied to self-diffusion in supercritical Lennard-Jones fluids

A new kinetic-theory-based calculation of the self-diffusion coefficient for dense supercritical Lennard-Jones fluids is presented. The mean force kinetic theory, which was recently developed for transport in dense plasmas, is applied for the calculation of diffusion in dense neutral fluids. The calculation only requires the pair distribution function, a quantity that is readily calculable from equilibrium statistical mechanics for many systems, including the Lennard-Jones fluid. The self-diffusion coefficients are compared with calculations from molecular dynamics simulations, and good agreement at high density is demonstrated, even in the vicinity of the solid–fluid coexistence line. A comparison of different kinetic models with molecular dynamics simulations demonstrates that the transport coefficients have important contributions due to particle interaction via a potential of mean force and local correlations, which increase the collision rate. The new calculations compare well to those from free-volume theory and overcome a limitation of this theory that prevents its use in systems that interact via long range monotonic potentials. It is expected that this approach will also apply to other systems, including neutral-plasma and neutral-electrolyte mixtures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Phonon spectra of a two-dimensional solid dusty plasma modified by two-dimensional periodic substrates

Here, phonon spectra of a two-dimensional (2D) solid dusty plasma modulated by 2D square and triangular periodic substrates are investigated using Langevin dynamical simulations. The commensurability ratio, i.e., the ratio of the number of particles to the number of potential well minima, is set to 1 or 2. The resulting phonon spectra show that propagation of waves is always suppressed due to the confinement of particles by the applied 2D periodic substrates. For a commensurability ratio of 1, the spectra indicate that all particles mainly oscillate at one specific frequency, corresponding to the harmonic oscillation frequency of one single particle inside one potential well. At a commensurability ratio of 2, the substrate allows two particles to sit inside the bottom of each potential well, and the resulting longitudinal and transverse spectra exhibit four branches in total. We find that the two moderate branches come from the harmonic oscillations of one single particle and two combined particles in the potential well. The other two branches correspond to the relative motion of the two-body structure in each potential well in the radial and azimuthal directions. The difference in the spectra between the square and triangular substrates is attributed to the anisotropy of the substrates and the resulting alignment directions of the two-body structure in each potential well.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Collaborative Research: Explosive reconnection in relativistic magnetically-dominated plasmas (Final Report)

Magnetic fields can be the dominant component of astrophysical plasmas, so that the magnetic energy density might exceed even the rest-mass energy density of matter. In this extreme (and largely unexplored) regime the magnetic field controls the overall plasma evolution, dissipation, and acceleration of non-thermal particles. This plasma regime, applicable to a variety of astrophysical sources - magnetars, pulsars and pulsar wind nebulae (PWNe), jets of Active Galactic Nuclei (AGNs) and Gamma-Ray Bursters (GRBs) - is dramatically different from laboratory plasmas, the magnetospheres of planets, and the interplanetary plasma. Relativistic astrophysical sources then provide an unique opportunity to study the fundamental plasma physics of magnetically-dominated plasmas; a novel and fast-evolving field of theoretical research which, by investigating energy conversion and particle energization processes in plasmas, is of vital importance to the Fusion Energy Sciences DoE program. Data coming from astrophysical high-energy missions, especially the Crab Nebula flares recently observed by the Fermi and AGILE satellites, suggest that the acceleration of non-thermal particles to the highest energies occurs in magnetic reconnection events - a major change of paradigm in high-energy astrophysics. Most importantly, observations demand that particle acceleration should proceed extremely fast (with accelerating electric field of the order of the magnetic field) and on macroscopic scales (much larger, e.g., than the microscopic plasma skin depth). We are conducting studies of the microphysics of magnetically-dominated plasmas focussing in particular on the highly dynamic regime of explosive reconnection and associated particle acceleration in relativistic plasmas. We are studying the stability and explosive plasma dynamics, particle acceleration and radiation production in a number of idealized plasma configurations that approximate relevant astrophysical sources (like the magnetic ABC structures and interacting flux tubes, as well as generalizations of analytical models of X-point collapse to relativistic plasmas). The well-studied case of the Crab Nebula is taken as a prototypical example for the application of the model. We are combining analytical studies of explosive magnetic dynamics and dissipation in relativistic plasmas with particle-in-cell (PIC) simulations and fluid simulations. The theoretical model, fluid and particle-in-cell simulations are cross-checked for agreement and convergence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

Double layers in plasmas; Proceedings of the Conference, Huntsville, AL, Mar. 1986

Papers are presented on such topics as double layers (DLs) and plasma-wave resistivity in extragalactic jets; the formation of a DL leading to the critical velocity phenomenon; formation mechanisms of laboratory DLs in triple plasma devices; and linear Vlasov stability in one-dimensional DLs. Consideration is also given to weak DLs in the auroral ionosphere; the dynamical properties of very strong DLs in a triple plasma device; particle simulation of auroral DLs; a muonic X-ray laser assisted by the catalyzed fusion of deuterium and tritium; and the feasbility of measuring the nuclear reaction cross sections at energies of several keV in a target under laser compression.

Williams, Alton C.↗
NASA NTRS2014

Forced Reconnection in the Near Magnetotail: Onset and Energy Conversion in PIC and MHD Simulations

Using two-dimensional particle-in-cell (PIC) together with magnetohydrodynamic (MHD) Q1 simulations of magnetotail dynamics, we investigate the evolution toward onset of reconnection and the subsequent energy transfer and conversion. In either case, reconnection onset is preceded by a driven phase, during which magnetic flux is added to the tail at the high-latitude boundaries, followed by a relaxation phase, during which the configuration continues to respond to the driving. The boundary deformation leads to the formation of thin embedded current sheets, which are bifurcated in the near tail, converging to a single sheet farther out in the MHD simulations. The thin current sheets in the PIC simulation are carried by electrons and are associated with a strong perpendicular electrostatic field, which may provide a connection to parallel potentials and auroral arcs and an ionospheric signal even prior to the onset of reconnection. The PIC simulation very well satisfies integral entropy conservation (intrinsic to ideal MHD) during this phase, supporting ideal ballooning stability. Eventually, the current intensification leads to the onset of reconnection, the formation and ejection of a plasmoid, and a collapse of the inner tail. The earthward flow shows the characteristics of a dipolarization front: enhancement of Bz, associated with a thin vertical electron current sheet in the PIC simulation. Both MHD and PIC simulations show a dominance of energy conversion from incoming Poynting flux to outgoing enthalpy flux, resulting in heating of the inner tail. Localized Joule dissipation plays only a minor role.

two-dimensional↗
NASA NTRS2016

Isokinetic TWC Evaporator Probe: Calculations and Systemic Uncertainty Analysis

A new Isokinetic Total Water Content Evaporator (IKP2) was downsized from a prototype instrument, specifically to make airborne measurements of hydrometeor total water content (TWC) in deep tropical convective clouds to assess the new ice crystal Appendix D icing envelope. The probe underwent numerous laboratory and wind tunnel investigations to ensure reliable operation under the difficult high altitude/speed/TWC conditions under which other TWC instruments have been known to either fail, or have unknown performance characteristics and the results are presented in a companion paper (Ref. 1). This paper presents the equations used to determine the total water content (TWC) of the sampled atmosphere from the values measured by the IKP2 or necessary ancillary data from other instruments. The uncertainty in the final TWC is determined by propagating the uncertainty in the measured values through the calculations to the final result. Two techniques were used and the results compared. The first is a typical analytical method of propagating uncertainty and the second performs a Monte Carlo simulation. The results are very similar with differences that are insignificant for practical purposes. The uncertainty is between 2 and 3 percent at most practical operating conditions. The capture efficiency of the IKP2 was also examined based on a computational fluid dynamic simulation of the original IKP and scaled down to the IKP2. Particles above 24 micrometers were found to have a capture efficiency greater than 99 percent at all operating conditions.

Meteorological Instrument↗
NASA NTRS2016

Isokinetic TWC Evaporator Probe: Calculations and Systemic Uncertainty Analysis

A new Isokinetic Total Water Content Evaporator (IKP2) was downsized from a prototype instrument, specifically to make airborne measurements of hydrometeor total water content (TWC) in deep tropical convective clouds to assess the new ice crystal Appendix D icing envelope. The probe underwent numerous laboratory and wind tunnel investigations to ensure reliable operation under the difficult high altitude/speed/TWC conditions under which other TWC instruments have been known to either fail, or have unknown performance characteristics and the results are presented in a companion paper. This paper presents the equations used to determine the total water content (TWC) of the sampled atmosphere from the values measured by the IKP2 or necessary ancillary data from other instruments. The uncertainty in the final TWC is determined by propagating the uncertainty in the measured values through the calculations to the final result. Two techniques were used and the results compared. The first is a typical analytical method of propagating uncertainty and the second performs a Monte Carlo simulation. The results are very similar with differences that are insignificant for practical purposes. The uncertainty is between 2 percent and 3 percent at most practical operating conditions. The capture efficiency of the IKP2 was also examined based on a computational fluid dynamic simulation of the original IKP and scaled down to the IKP2. Particles above 24 microns were found to have a capture efficiency greater than 99 percent at all operating conditions.

Aircraft Icing↗