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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A single-site multipole model for liquid water

Accurate and efficient empirical potential energy models that describe the atomistic interactions between water molecules in the liquid phase are essential for computer simulations of many problems in physics, chemistry, and biology, especially when long length or time scales are important. However, while models with non-polarizable partial charges at four or five sites in a water molecule give remarkably good values for certain properties, deficiencies have been noted in other properties and increasing the number of sites decreases computational efficiency. An alternate approach is to utilize a multipole expansion of the electrostatic potential due to the molecular charge distribution, which is exact outside the charge distribution in the limits of infinite distances or infinite orders of multipoles while partial charges are a qualitative representation of electron density as point charges. Here, a single-site multipole model of water is presented, which is as fast computationally as three-site models but is also more accurate than four- and five-site models. The dipole, quadrupole, and octupole moments are from quantum mechanical–molecular mechanical calculations so that they account for the average polarization in the liquid phase, and represent both the in-plane and out-of-plane electrostatic potentials of a water molecule in the liquid phase. This model gives accurate thermodynamic, dynamic, and dielectric properties at 298 K and 1 atm, as well as good temperature and pressure dependence of these properties.

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

Estimating the Electric Fields Driving Lightning Dart Leader Development With BIMAP‐3D Observations

Abstract In this paper, a numerical dart leader model has been implemented to understand the leader's development and the corresponding electric field changes observed by the 3D broadband mapping and polarization (BIMAP‐3D) system. The model assumes the extending leader channel is equipotential and has a linear charge distribution induced by an ambient electric field. The charge distribution induced by the ambient field can be used to model the electric field change at the ground. We then find the ambient electric field which best fits the field change measurements at the two BIMAP stations. The estimated ambient electric field decreases in the direction of dart leader propagation. Our observations and modeling results are consistent with our earlier hypothesis that dart leader speed is proportional to the electric field at the leader tip. The model also supports our earlier analysis that leader speed variations near branch junctions were due to previous charge deposits near the junctions. The modeled tip electric field is generally lower than the breakdown field unless the pre‐dart‐leader channel has a significant temperature of 3,000 K. This is consistent with the fact that dart leaders typically do not form new branches into the virgin air. Furthermore, the tip field is generally close to the negative streamer stability field at ambient temperatures, explaining the nature of the narrow and well‐defined channel structure. In addition to the charge distribution and the ambient and tip electric field, the development of the channel potential and current distribution are also presented.

3D lightning mapping↗
DOE OSTI2023

Pseudo-rapidity distributions of charged particles in asymmetric collisions using Tsallis thermodynamics

Abstract The pseudo-rapidity distributions of the charged particles produced in the asymmetric collision systems p+Al, p+Au and$$^3$$ 3 He+Au at$$\sqrt{s_\text {NN}} = 200$$ s NN = 200 GeV are evaluated in the framework of a fireball model with Tsallis thermodynamics. The fireball model assumes that the experimentally measured particles are produced by fireballs following the Tsallis distribution and it can effectively describe the experimental data. Our results as well as previous results for d+Au collisions at$$\sqrt{s_\text {NN}} = 200$$ s NN = 200 GeV and p+Pb collisions at$$\sqrt{s_\text {NN}} = 5.02$$ s NN = 5.02 TeV validate that the fireball model based on Tsallis thermodynamics can provide a universal framework for pseudo-rapidity distribution of the charged particles produced in asymmetric collision systems. We predict the centrality dependence of the total charged particle multiplicity in the p+Al, p+Au and$$^3$$ 3 He+Au collisions. Additionally, the dependences of the fireball model parameters ($$y_{0a}$$ y 0 a ,$$y_{0A}$$ y 0 A ,$$\sigma _{a}$$ σ a and$$\sigma _{A}$$ σ A ) on the centrality and system size are studied.

Nuclear Science & Technology↗
DOE OSTI2017

New Possibilities of Probe Detection of Anisotropic Charged-Particle Distribution Functions in an Arbitrary-Symmetry Plasma

We have analyzed the precision and systematic errors of the familiar method of a plane single-ended probe for measuring the anisotropic distribution functions for electrons and ions in plasma. Analytic relations that connect the plasma parameters and the required number of terms in a series are obtained under the conditions when anisotropy is due to the presence of an electric field in the plasma. It has been shown that ten terms of the series are usually sufficient to adequately describe the ion distribution function, except for the case of strong fields. For strongly anisotropic charged particle distribution functions, the spline interpolation technique for experimental data is proposed and tested, which substantially reduces the systematic error for a preset number of terms in the series. It has been shown for abundant actual plasma objects with the mirror symmetry that the number of required orientations of a plane probe for the experimental distribution function can be reduced by half compared to the most general case of the absence of any symmetry for a fixed number of terms in the Legendre series, while for the same number of orientations, the number of terms in the series, which are determined from these measurements, doubled accordingly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Angular ion species distribution in droplet-based laser-produced plasmas

The angular distribution of the ion species generated from a laser irradiated droplet target is measured. The employed instrument was an electrostatic energy analyzer with differential pumping. Singly and doubly charged ions were detected at an argon ambient gas pressure of 2 × 10{sup −2} mbar. The amount of Sn{sup +} and Sn{sup 2+} and their kinetic energy is measured from 45° to 120° from the laser axis. Sn{sup +} expands approximately isotropically, and Sn{sup 2+} expansion is peaked towards the incoming laser radiation. The singly charged ion kinetic energy is close to constant over the measurement range, while it decreases by around 30% for Sn{sup 2+}. A calibrated model of the ion expansion that includes recombinations correctly predicts the mean ion charge distribution. The model is able to qualitatively estimate the influence of the laser wavelength on the mean ion charge distribution. The results show a more pronounced isotropic distribution for shorter wavelengths, and a more forward-peaked distribution for longer wavelengths. The ion charge distribution expected without the ambient gas is estimated through the measured ion kinetic energy. The presence of the ambient gas results in a decrease of the mean ion charge state and a decrease in angular anisotropy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

A spectrometer on chemical vapour deposition-diamond basis for the measurement of the charge-state distribution of heavy ions in a laser-generated plasma

This article reports on the development and the first applications of a new spectrometer which enables the precise and time-resolved measurement of both the energy loss and the charge-state distribution of ion beams with 10 < Z < 30 at energies of 4-8 MeV/u after their interaction with a laser-generated plasma. The spectrometer is based on five 20 Multiplication-Sign 7 mm{sup 2} large and 20 {mu}m thick polycrystalline diamond samples produced via the Chemical Vapour Deposition (CVD) process and was designed with the help of ion-optical simulations. First experiments with the spectrometer were successfully carried out at GSI using {sup 48}Ca ions at an energy of 4.8 MeV/u interacting with a carbon plasma generated by the laser irradiation of a thin foil target. Owing to the high rate capability and the short response time of the spectrometer, pulsed ion beams with 10{sup 3}-10{sup 4} ions per bunch at a bunch frequency of 108 MHz could be detected. The temporal evolution of the five main charge states of the calcium ion beams as well as the corresponding energy loss values could be measured simultaneously. Due to the outstanding properties of diamond as a particle detector, a beam energy resolution ({Delta}E/E) Almost-Equal-To 0.1% could be reached using the presented experimental method, while a precision of 10% in the energy loss and charge-state distribution data was obtained.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Computer Modeling of Electrostatic Aggregation of Granular Materials in Planetary and Astrophysical Settings

Electrostatic forces strongly influence the behavior of granular materials in both dispersed (cloud) systems and semi-packed systems. These forces can cause aggregation or dispersion of particles and are important in a variety of astrophysical and planetary settings. There are also many industrial and commercial settings where granular matter and electrostatics become partners for both good and bad. This partnership is important for human exploration on Mars where dust adheres to suits, machines, and habitats. Long-range Coulombic (electrostatic) forces, as opposed to contact-induced dipoles and van der Waals attractions, are generally regarded as resulting from net charge. We have proposed that in addition to net charge interactions, randomly distributed charge carriers on grains will result in a dipole moment regardless of any net charge. If grains are unconfined, or fluidized, they will rotate so that the dipole always induces attraction between grains. Aggregates are readily formed, and Coulombic polarity resulting from the dipole produces end-to-end stacking of grains to form filamentary aggregates. This has been demonstrated in USML experiments on Space Shuttle where microgravity facilitated the unmasking of static forces. It has also been demonstrated in a computer model using grains with charge carriers of both sign. Model results very closely resembled micro-g results with actual sand grains. Further computer modeling of the aggregation process has been conducted to improve our understanding of the aggregation process, and to provide a predictive tool for microgravity experiments slated for Space Station. These experiments will attempt to prove the dipole concept as outlined above. We have considerably enhanced the original computer model: refinements to the algorithm have improved the fidelity of grain behavior during grain contact, special attention has been paid to simulation time steps to enable establishment of a meaningful, quantitative time axis, and calibration of rounding accuracies have been conducted to test cumulative numerical influences in the model. The model has been run for larger grain populations, variable initial cloud densities, and we have introduced random net charging to individual grains, as well as a net charge to the cloud as a whole. The model uses 3 positive and 3 negative charges randomly distributed on each grain, with up to 160 grains contained within various size "boxes" that define the initial number densities in the clouds. Each charge represents localized charged region on a grain, but does not necessarily imply single quantized charge carriers. The Coulomb equations are then allowed to interact for each monopole: dipoles and any higher order charge coupling is a natural product of these "free" interactions over which the modeler exerts no influence. The charges are placed on surfaces of grains at random locations. A series of runs was conducted for neutral grains that had a perfect balance of negative and positive char carriers. Runs were also conducted with grains having additional fractional charges ranging between 0 and 1. By adding fractional charges of one sign, the model created grain populations in which all grains had excess charges the same sign, giving the cloud an overall net charge. This simulates clouds subjected to ionizing radiation (e. protoplanetary debris disk around a protosun), or any other process of charge biasing in a grain population (e.g., volcanic plumes). In another run series, random fractional charges of either sign were added to the grains so th some grains had a slight net positive charge while others had a slight net negative charge. This simulates triboelectrically-charged grain populations in which acquisition of an electron by one surface is at the expense creating a hole elsewhere. This dual sign charging was applied in two ways: in one case the cloud remained neutral by ensuring that all grain excess charges added to zero; in the other case, the cloud was permitted slight net char by not imposing a charge-balance condition. Additional information is contained in the original.

Marshall, J.↗
NASA NTRS1976

Molecular effect on equilibrium charge-state distributions

The paper describes an experiment consisting of the acceleration of N(+) and N2(+) ions to energies between 0.25 and 1.75 MeV and their injection through a thin carbon foil, whereupon they were charge-state analyzed with an electrostatic analyzer. A foil-covered electrically suppressed Faraday cup, connected to a stepping motor, moved in the plane of the dispersed beams. The Faraday cup current, which was proportional to the number of incident ions, was sent to a current digitizer and computer programmed as a multiscaler. The energy-dependent charge-state fractions, the mean charge and the distribution width were calculated. It was shown that for incident atoms, the charge state distribution appeared to be spread over more charge states, while for the incident molecules, there was a greater fraction of charge states near the mean charge.

Wickholm, D.↗
DOE OSTI2012

FIRST MEASUREMENTS OF THE COMPLETE HEAVY-ION CHARGE STATE DISTRIBUTIONS OF C, O, AND Fe ASSOCIATED WITH INTERPLANETARY CORONAL MASS EJECTIONS

We present the first analysis of the complete charge state distributions of heavy ions in interplanetary coronal mass ejections (CMEs), from singly charged to fully ionized. We develop a novel analysis technique that requires the combination and cross-calibration of two different data sets from the Solar Wind Ion Composition Spectrometer on the Advanced Composition Explorer. The first contains ions of higher charge states, and includes an identification of their mass, mass-per-charge, and energy-per-charge. The second data set contains singly and low-charge ions, and identifies only their mass-per-charge and energy-per-charge. Focusing on C, O, and Fe, we find ionic charge states representative of temperatures from {<=}60,000 K to over 5,000,000 K contained within interplanetary CMEs observed near 1 AU. We interpret these data in the context of near-Sun observations of filament material associated with CMEs. We find that singly charged ions are embedded within selected interplanetary CMEs, and we examine their densities and durations. These data thus provide the most unambiguous in situ diagnostic of solar prominence plasma in the heliosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Pseudorapidity distributions of charged hadrons in lead-lead collisions at $\sqrt{S_{NN}}$ = 5.36 TeV

The pseudorapidity (η) distributions of charged hadrons are measured using data collected at the highest ever nucleon-nucleon center-of-mass energy of $\sqrt{S_{NN}}$ = 5.36 TeV for collisions of lead-lead ions. The data were recorded by the CMS experiment at the LHC in 2022 and correspond to an integrated luminosity of 0.30 ± 0.03 μb -1 . Using the CMS silicon pixel detector, the yields of primary charged hadrons produced in the range |η| < 2.6 are reported. The evolution of the midrapidity particle density as a function of collision centrality is also reported. In the 5% most central collisions, the charged-hadron η density in the range |η| < 0.5 is found to be 2032 ± 91(syst), with negligible statistical uncertainty. This result is consistent with an extrapolation from nucleus-nucleus collision data at lower center-of-mass energies. Comparisons are made to various Monte Carlo event generators and to previous measurements of lead-lead and xenon-xenon collisions at similar collision energies. These new data detail the dependence of particle production on the collision energy, initial collision geometry, and the size of the colliding nuclei.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Impact of fabrication methods on binder distribution and charge transport in composite cathodes of all-solid-state batteries

Abstract The manufacturing process of all-solid-state batteries necessitates the use of polymer binders. However, these binders, being ionic insulators by nature, can adversely affect charge transport within composite cathodes, thereby impacting the rate performance of the batteries. In this work, we aim to investigate the impact of fabrication methods, specifically the solvent-free dry process versus the slurry-cast wet process, on binder distribution and charge transport in composite cathodes of solid-state batteries. In the dry process, the binder forms a fibrous network, while the wet process results in binder coverage on the surface of cathode active materials. The difference in microstructure leads to a notable 20-fold increase in ionic conductivity in the dry-processed cathode. Consequently, the cells processed via the dry method exhibit higher capacity retention of 89% and 83% at C/3 and C/2 rates, respectively, in comparison to 68% and 58% for the wet-processed cells at the same rate. These findings provide valuable insights into the influence of fabrication methods on binder distribution and charge transport, contributing to a better understanding of the binder’s role in manufacturing of all-solid-state batteries.

Emley, Benjamin↗
DOE OSTI2018

Simple Stochastic Model of Multiparticle Battery Electrodes Undergoing Phase Transformations

Incorporation of ions into battery electrodes can lead to phase transformations. When multiparticle phase-transforming electrodes charge or discharge, two processes must occur in each particle: the new phase must nucleate, and then grow until the particle is fully charged or discharged. A fundamental question is which of these two processes is rate limiting. Here in this paper, we construct a simple stochastic model that shows how the relative rate of nucleation compared with growth determines the particle state-of-charge distributions in the electrode. We find that the number of particles that are partially charged at any time increases as the relative nucleation rate increases. The maximum number of particles that are actively charging occurs just before the time when the first particles are becoming completely charged. By comparing measured state-of-charge distributions with the model, we determine the relative rate of nucleation. We apply this procedure to measurements of the evolution of particles in LiFePO 4 cathodes and show we can account for the particle state-of-charge distribution as a function of the electrode state of charge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Charged-particle distributions in s = 13 TeV p p interactions measured with the ATLAS detector at the LHC

CERN-LHC. Measurements of charged particle distributions in proton-proton collisions at a centre-of-mass energy of 13 TeV. A data sample of nearly 9 million events recorded by the ATLAS detector during a special LHC fill with low beam currents, and thus giving a low expected mean number of interactions, is used. The charged-particle multiplicity, its dependence on transverse momentum and pseudorapidity and the dependence of the mean transverse momentum on the charged-particle multiplicity are presented. The measurements are performed with charged particles with transverse momentum greater than 500 MeV and absolute pseudorapidity less than 2.5, in events with at least one charged particle satisfying these kinematic requirements. Events with charged particles with transverse momentum greater than 500 MeV and absolute pseudorapidity less than 0.8 are also measured. The results are corrected for detector effects, presented as particle-level distributions and are compared to various Monte Carlo event generator models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1982

Ionic charge state distribution of helium, carbon, oxygen, and iron in an energetic storm particle enhancement

An analysis is presented of the ionic charge state distribution of He, C, O and Fe in the energetic storm particle event of September 28-29, 1978. Data were obtained with the ULEZEQ electrostatic analyzer-proportional counter on board the ISEE 3 spacecraft. The He(+)/He(++) ratio between 0.4 and 1 MeV/n is shown to be significantly lower during the energetic storm particle event than during the preceding period of solar flare particle enhancement, with a temporal evolution similar to that of the Fe/He ratio as reported by Klecker et al. (1981). Increases in the mean charge state for oxygen by about 3% and for iron by about 16% are also noted. The temporal variations in charge states are accounted for in terms of first-order Fermi acceleration of the pre-existing solar flare particles by a propagating interplanetary shock wave.

Hovestadt, D.↗
DOE OSTI2014

Measurement of pseudorapidity distributions of charged particles in proton-proton collisions at $\sqrt{s}$ = 8 TeV by the CMS and TOTEM experiments

Pseudorapidity (η) distributions of charged particles produced in proton–proton collisions at a centre-of-mass energy of 8 TeV are measured in the ranges |η|<2.2 and 5.3<|η|<6.4 covered by the CMS and TOTEM detectors, respectively. We found that the data correspond to an integrated luminosity of L=45 μb -1 . These measurements are presented for three event categories. The most inclusive category is sensitive to 91–96 % of the total inelastic proton–proton cross section. The other two categories are disjoint subsets of the inclusive sample that are either enhanced or depleted in single diffractive dissociation events. Finally, the data are compared to models used to describe high-energy hadronic interactions. None of the models considered provide a consistent description of the measured distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Crystal structure of inactive form of Rab3B

Rab proteins are the largest family of ras-related GTPases in eukaryotic cells. They act as directional molecular switches at membrane trafficking, including vesicle budding, cargo sorting, transport, tethering, and fusion. Here, we generated and crystallized the Rab3B:GDP complex. The structure of the complex was solved to 1.9 {angstrom} resolution and the structural base comparison with other Rab3 members provides a structural basis for the GDP/GTP switch in controlling the activity of small GTPase. The comparison of charge distribution among the members of Rab3 also indicates their different roles in vesicular trafficking.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Micro-cooler enhancements by barrier interface analysis

A novel gallium arsenide (GaAs) based micro-cooler design, previously analysed both experimentally and by an analytical Heat Transfer (HT) model, has been simulated using a self-consistent Ensemble Monte Carlo (EMC) model for a more in depth analysis of the thermionic cooling in the device. The best fit to the experimental data was found and was used in conjunction with the HT model to estimate the cooler-contact resistance. The cooling results from EMC indicated that the cooling power of the device is highly dependent on the charge distribution across the leading interface. Alteration of this charge distribution via interface extensions on the nanometre scale has shown to produce significant changes in cooler performance.

36 MATERIALS SCIENCE↗