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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Electron velocity space hole modes

In space plasmas the local electron distribution is formed by ballistic motion from different source regions. Since electrons with positive and negative parallel (v-parallel) velocities have different sources and experience different interactions with the large-scale electromagnetic fields, the electron distribution function near v-parallel = 0 should possess considerable structure, including the possibility of velocity space holes, i.e., regions where the phase space density is zero, and sharp discontinuities. A particular hole distribution, which may occur upstream of slow shocks in the distant geomagnetic tail, is shown to support a nonstandard plasma wave mode with frequencies between the ion and electron plasma frequencies and parallel phase speed above the ion, but well below the electron, thermal speed. The hole mode can be destabilized by a positive slope in the low parallel velocity electron distribution, and the growth rate is strongly enhanced if the electron parallel temperature exceeds the perpendicular temperature; the mode can also be excited by a hot, fast ion beam. The hole modes exist only for a narrow range of propagation angles about the magnetic field direction.

Coroniti, Ferdinand V.↗
DOE OSTI2022

Atomic-Layer-Deposited Aluminum Oxide Thin Films Probed with X-ray Scattering and Compared to Molecular Dynamics and Density Functional Theory Models

A better understanding of amorphous aluminum oxide’s structure and electronic properties is obtained through combined experimental and computational approaches. Grazing incidence X-ray scattering measurements were carried out on aluminum oxide thin films grown using thermal atomic layer deposition. The corresponding pair distribution functions (PDFs) showed structures similar to previously reported PDFs of solid-state amorphous alumina and molten alumina. Structural models based on crystalline alumina polymorphs (PDFgui) and amorphous alumina (molecular dynamics, MD) were examined for structural comparisons to the experimental PDF data. Smaller MD models were optimized and verified against larger models to allow for quantum chemical electronic structure calculations. The electronic structure of the amorphous alumina models yields additional insight into the band structure and electronic defects present in amorphous alumina that are not present in crystalline samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Threshold resummation for computing large-x parton distribution through large-momentum effective theory

Parton distribution functions (PDFs) at large x are poorly constrained by high-energy experimental data, but extremely important for probing physics beyond standard model at colliders. We study the calculation of PDFs at large-x through large-momentum P z expansion of the lattice quasi PDFs. Similar to deep-inelastic scattering, there are two distinct perturbative scales in the threshold limit where the matching coefficient can be factorized into a space-like jet function at scale P z |1 – y| and a pair of heavy-light Sudakov form factors at scale P z . The matching formula allows us to derive a full renormalization group resummation of large threshold logarithms, and the result is consistent with the known calculation to the next-to-next to leading order (NNLO). This paves the way for direct large-x PDFs calculations in lattice QCD. As by-products, we find that the space-like jet function is related to a time-like version calculated previously through analytic continuation, and the heavy-light Sudakov form factor, calculated here to NNLO, is a universal object appearing as well in the large momentum expansion of quasi transverse-momentum-dependent PDFs and quasi wave-function amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Upper-Hybrid Waves Driven by Meandering Electrons Around Magnetic Reconnection X Line

Magnetic reconnection is a fundamental process in collisionless space plasma environment, and plasma waves relevant to the kinetic interactions can have a significant impact on the multiscale behavior of reconnection. Here, we present Magnetospheric Multiscale (MMS) observations during an encounter of an X line of symmetric magnetic reconnection in the magnetotail. The X line is characterized by reversals of ion and electron jets and electromagnetic fields, agyrotropic electron velocity distribution functions (VDFs), and an electron-scale current sheet. MMS observe large-amplitude nonlinear upper-hybrid (UH) waves on both sides of the neutral line, and the wave amplitudes have highly localized distribution along the normal direction. Here, the inbound meandering electrons drive the UH waves, releasing the free energy stored from the reconnection electric field along the meandering trajectories. The interaction between the meandering electrons and the UH waves may modify the balance of the reconnection electric field around the X line.

58 GEOSCIENCES↗
DOE OSTI2020

Driven electrostatic phase space vortices in a 1D weakly dissipative Vlasov–Poisson system

In this paper, the effect of collisions on driven electrostatic phase space vortices is analyzed by means of Eulerian simulation for two different collision models. It was demonstrated recently that in the absence of collisions, at late times, steady state phase space vortices manifest to form a plateau in the resonant region of the particle velocity distribution function, due to trapping of particles supporting multiextrema giant phase space vortices (PSVs). In the presence of collisions, over long time, this multiextrema plateau are found to smooth out, since collisions drive the velocity distribution toward Maxwellian, irrespective of how weak the collisions are as long as they are non-zero. In these conditions, kinetic processes and collisionality are found to be in competition, and the evolution of the plasma is found, therefore, to be a result of nontrivial combination of these two effects. An attempt has been made by means of numerical simulations to study the effect of weak collisionality on the electrostatic driven phase space vortices with two types of collision operators: (1) Bhatnagar–Gross–Krook (Krook) collision operator, where the colliding particles can be treated as isolated pairs and, (2) Fokker–Planck (FP) type collision operator (Zakharov–Karpman) in one dimension, where many weak collisions lead to particle diffusion in velocity space. It is shown that depending on the collision model used, the nature of smoothing in velocity space of giant PSVs results in qualitatively very different phase space structures. However, irrespective of the collision model used, excess density fractions over 10% are retained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

Electron distributions in quasi-perpendicular shocks: Simulations

One of the outstanding problems of collisionless shock physics is the microphysical description of electron thermalization and associated wave processes. Observations at the Earth's bow shock have shown various features in the electron velocity distribution such as a loss-cone, temperature anisotropies, and beams before a thermalized, flat-topped distribution is reached downstream. It is generally believed that in addition to the macroscopic fields, which determine the overall mapping of the distribution function, electromagnetic whistler waves and lower hybrid waves are responsible for the pitch-angle scattering and thermalization of the electrons. However, a genuine physical explanation requires analysis of the evolution of the electron distribution in the self-consistent wave fields. Particle simulations are ideally suited to do this, and include processes in which both electrons and ions are involved, such as cross-field streaming instabilities. We show results from l-D and 2-D simulations using an implicit code, which allows time steps large compared to the inverse electron plasma frequency. It is shown that in order to capture the correct propagation characteristics of the waves, a large mass ratio between the protons and electrons is generally necessary. Detailed diagnostics of the waves as well as the evolution of the electron velocity distribution will be presented and will be discussed in the frame work of satellite observations.

Pantellini, F.↗
DOE OSTI2023

W ± -boson production in p–Pb collisions at $ \sqrt{s_{\textrm{NN}}} $ = 8.16 TeV and Pb–Pb collisions at $ \sqrt{s_{\textrm{NN}}} $ = 5.02 TeV

The production of the W ± bosons measured in p–Pb collisions at a centre-of-mass energy per nucleon–nucleon collision $\sqrt{s_{NN}}$ = 8.16 TeV and Pb–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV with ALICE at the LHC is presented. The W ± bosons are measured via their muonic decay channel, with the muon reconstructed in the pseudorapidity region -4 < η$_{lab}^{μ}$ < -2.5 with transverse momentum p$_{T}^{μ}$ > 10 GeV/c. While in Pb–Pb collisions the measurements are performed in the forward (2.5 < y$_{cms}^{μ}$ < 4) rapidity region, in p–Pb collisions, where the centre-of-mass frame is boosted with respect to the laboratory frame, the measurements are performed in the backward (-4.46 < y$_{cms}^{μ}$ < -2.96) and forward (2.03 < y$_{cms}^{μ}$ < 3.53) rapidity regions. The W - and W + production cross sections, lepton-charge asymmetry, and nuclear modification factors are evaluated as a function of the muon rapidity. In order to study the production as a function of the p–Pb collision centrality, the production cross sections of the W - and W + bosons are combined and normalised to the average number of binary nucleon–nucleon collision $\langle$N coll $\rangle$. In Pb–Pb collisions, the same measurements are presented as a function of the collision centrality. Study of the binary scaling of the W ± -boson cross sections in p–Pb and Pb–Pb collisions is also reported. The results are compared with perturbative QCD calculations, with and without nuclear modifications of the Parton Distribution Functions (PDFs), as well as with available data at the LHC. Significant deviations from the theory expectations are found in the two collision systems, indicating that the measurements can provide additional constraints for the determination of nuclear PDFs and in particular of the light-quark distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Experimental determination of the temperature-dependent Van Hove function in a Zr 80 Pt 20 liquid

Even though the viscosity is one of the most fundamental properties of liquids, the connection with the atomic structure of the liquid has proven elusive. By combining inelastic neutron scattering with the electrostatic levitation technique, the time-dependent pair-distribution function (i.e., the Van Hove function) has been determined for liquid Zr 80 Pt 20 . We show that the decay time of the first peak of the Van Hove function is directly related to the Maxwell relaxation time of the liquid, which is proportional to the shear viscosity. This result demonstrates that the local dynamics for increasing or decreasing the coordination number of local clusters by one determines the viscosity at high temperature, supporting earlier predictions from molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

A calculation of the Rosseland mean opacity of dust grains in primordial solar system nebulae

The Rosseland mean opacity owing to grains was calculated as a function of temperature and density for nebulae having solar elemental abundances. The values of the mean opacity were evaluated with a generalized formulation allowing for anisotropic scattering. The values of the mean opacity do not depend sensitively on the choice of the particle size distribution function, provided that there are few particles having sizes in excess of several tens of microns. The results indicate that thermal convection in primordial nebulae occurs over broader ranges of altitudes at low temperatures than at high temperatures, and for size distributions for which extensive aggregation has not yet occurred.

Pollack, J. B.↗
DOE OSTI2025

Synergistic Density Functional Theory and Molecular Dynamics Approach to Elucidate PNIPAM–Water Interaction Mechanisms

This study employs Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations to investigate interactions between water molecules and Poly(N-isopropylacrylamide) (PNIPAM). DFT reveals preferential water binding sites, with enhanced binding energy observed in the linker zone. Quantum Theory of Atoms in Molecules (QTAIM) and electron localization function (ELF) analyses highlight the roles of hydrogen bonding and steric hindrance. MD simulations unveil temperature-dependent hydration dynamics, with structural transitions marked by changes in the radius of gyration (Rg) and the radial distribution function (RDF), aligning with DFT findings. Our work goes beyond prior studies by combining a DFT, QTAIM and MD simulations approach across different PNIPAM monomer-to-30mer structures. It introduces a systematic quantification of pseudo-saturation thresholds and explores water clustering dynamics with structural specificity, which have not been previously reported in the literature. These novel insights establish a more complete molecular-level picture of PNIPAM hydration behavior and temperature responsiveness, emphasizing the importance of amide hydrogen and carbonyl oxygen sites in hydrogen bonding, which weakens above the lower critical solution temperature (LCST), resulting in increased hydrophobicity and paving the way for understanding water sorption mechanisms, offering guidance for future applications such as dehumidification and atmospheric water harvesting.

08 HYDROGEN↗
NASA NTRS1987

Probabilistic SSME blades structural response under random pulse loading

The purpose is to develop models of random impacts on a Space Shuttle Main Engine (SSME) turbopump blade and to predict the probabilistic structural response of the blade to these impacts. The random loading is caused by the impact of debris. The probabilistic structural response is characterized by distribution functions for stress and displacements as functions of the loading parameters which determine the random pulse model. These parameters include pulse arrival, amplitude, and location. The analysis can be extended to predict level crossing rates. This requires knowledge of the joint distribution of the response and its derivative. The model of random impacts chosen allows the pulse arrivals, pulse amplitudes, and pulse locations to be random. Specifically, the pulse arrivals are assumed to be governed by a Poisson process, which is characterized by a mean arrival rate. The pulse intensity is modelled as a normally distributed random variable with a zero mean chosen independently at each arrival. The standard deviation of the distribution is a measure of pulse intensity. Several different models were used for the pulse locations. For example, three points near the blade tip were chosen at which pulses were allowed to arrive with equal probability. Again, the locations were chosen independently at each arrival. The structural response was analyzed both by direct Monte Carlo simulation and by a semi-analytical method.

Shiao, Michael↗
NASA NTRS1994

Molecular Dynamics of a Water-Lipid Bilayer Interface

We present results of molecular dynamics simulations of a glycerol 1-monooleate bilayer in water. The total length of analyzed trajectories is 5ns. The calculated width of the bilayer agrees well with the experimentally measured value. The interior of the membrane is in a highly disordered fluid state. Atomic density profile, orientational and conformational distribution functions, and order parameters indicate that disorder increases toward the center of the bilayer. Analysis of out-of-plane thermal fluctuations of the bilayer surfaces occurring at the time scale of the present calculations reveals that the distribution of modes agrees with predictions of the capillary wave model. Fluctuations of both bilayer surfaces are uncorrelated, yielding Gaussian distribution of instantaneous widths of the membrane. Fluctuations of the width produce transient thinning defects in the bilayer which occasionally span almost half of the membrane. The leading mechanism of these fluctuations is the orientational and conformational motion of head groups rather than vertical motion of the whole molecules. Water considerably penetrates the head group region of the bilayer but not its hydrocarbon core. The total net excess dipole moment of the interfacial water points toward the aqueous phase, but the water polarization profile is non-monotonic. Both water and head groups significantly contribute to the surface potential across the interface. The calculated sign of the surface potential is in agreement with that from experimental measurements, but the value is markedly overestimated. The structural and electrical properties of the water-bilayer system are discussed in relation to membrane functions, in particular transport of ions and nonelectrolytes across membranes.

Wilson, Michael A.↗
NASA NTRS2016

Laser Induced Fluorescence Measurements in a Hall Thruster Plume as a Function of Background Pressure

A set of Laser Induced Fluorescence (LIF) measurements in the near-field region of the NASA- 173M Hall thruster plume is presented at four background pressure conditions varying from 9.4 x 10(exp -6) torr to 3.3 x 10(exp -5) torr. The xenon ion velocity distribution function was measured simultaneously along the axial and radial directions. An ultimate exhaust velocity of 19.6+/-0.25 km/s achieved at a distance of 20 mm was measured, and that value was not sensitive to pressure. On the other hand, the ion axial velocity at the thruster exit was strongly influenced by pressure, indicating that the accelerating electric field moved inward with increased pressure. The shift in electric field corresponded to an increase in measured thrust. Pressure had a minor effect on the radial component of ion velocity, mainly affecting ions exiting close to the channel inner wall. At that radial location the radial component of ion velocity was approximately 1000 m/s greater at the lowest pressure than at the highest pressure. A reduction of the inner magnet coil current by 0.6 A resulted in a lower axial ion velocity at the channel exit while the radial component of ion velocity at the channel inner wall location increased by 1300 m/s, and at the channel outer wall location the radial ion velocity remained unaffected. The ultimate exhaust velocity was not significantly affected by the inner magnet current.

Facility Effects↗
DOE OSTI2021

CFD-DEM study of bubble properties in a cylindrical fluidized bed of Geldart Group D particles and comparison with prior MRI data

Numerical simulations of a freely bubbling cylindrical fluidized bed are carried out using a coupled computational fluid dynamics and discrete element method (CFD-DEM) model and compared to recent experimental data. The experiments were conducted using high-resolution and high-frequency magnetic resonance imaging providing high-fidelity data of the bubbling within a central 10 mm slice of the bed. Qualitatively, we nd more regular (i.e., less chaotic) structures in the simulated beds than observed experimentally. Quantitatively, however, the bubble diameter and number of bubbles as a function of height within the bed is predicted well by the base model. Unfortunately, the regularity in the simulations manifests as a considerable discrepancy in the speed of the (dense) emulsion phase. The simulated velocity probability distribution functions show an accumulation of low-speed regions and deficiency of high-speed regions. A simple parametric study of the base model is also carried out considering many of the most common CFD-DEM modeling parameters. It is found that the fluid grid size, geometry resolution, transfer kernel and drag law did not have a significant effect on bubble or particle dynamics.

42 ENGINEERING↗
DOE OSTI2026

First simultaneous global QCD analysis of kaon and pion parton distributions with lattice QCD constraints

We perform the first simultaneous global QCD analysis of pion and kaon parton distribution functions (PDFs) constrained by pion- and kaon-induced Drell-Yan (DY) and leading neutron electroproduction data together with lattice QCD data on pion and kaon PDF moments. The analysis indicates a softer valence u ¯ distribution in the K − than in the π − and a significantly more peaked valence s -quark density in K − compared with the u ¯ . The effective exponent governing the high- x behavior of the PDF is found to be larger for u ¯ in the kaon, β u ¯ K − = 1.6 ( 2 ) , than in the pion, β u ¯ π − = 1.16 ( 4 ) , in the range 0.7 ≤ x ≤ 0.95 . From the gluon momentum fractions, we find the pion’s gluon content accounts for ≈ 1 / 3 of the mass budget of the pion at μ = 2 GeV , but only ≈ 1 / 4 for the kaon.

Barry, P. C. [Argonne National Laboratory] (ORCID:↗
NASA NTRS1976

Lossy radial diffusion of relativistic Jovian electrons

The radial diffusion equation with synchrotron losses was solved by the Laplace transform method for near-equatorially mirroring relativistic electrons. The evolution of a power law distribution function was found and the characteristics of synchrotron burn-off are stated in terms of explicit parameters for an arbitrary diffusion coefficient. Emissivity from the radiation belts of Jupiter was studied. Asymptotic forms for the distribution in the strong synchrotron loss regime are provided.

Barbosa, D. D.↗
NASA NTRS1985

Relationships among the harmonic coefficients of scan plane anisotropies

Frequently, a detector on a spinning spacecraft measures the flux of charged particles whose velocities lie in a plane containing the magnetic field. This flux may be Fourier analyzed as a function of the spacecraft roll angle. Relationships among the Fourier coefficients are derived using the adiabatic solution of the Vlasov equation. These relationships depend only on the fact that the lowest order (in gyroradius) of the distribution function is a function of the magnetic moment and that the first-order term is a function of the lowest order. These relationships may be used to separate the proton from the electron counts registered in Saturn's inner magnetosphere by the University of California's Cerenkov counter on Pioneer 11.

Northrop, T. G.↗