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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 253 records · Page 14

Electrostatic shielding of a charged conducting sphere by a fine-mesh grounded screen

A simple model of an electrostatic-shielding arrangement that will reduce the electric field from the Near Infrared Mapper Spectrometer aboard the Galileo spacecraft is presented. The system considered consists of a charged conducting sphere held at a fixed absolute potential via a power source. This system is screened by a larger, concentric sphere made of fine mesh which is grounded. A derivation based on elementary principles of electrostatics is used to show that the shielding effectiveness of the screen can be expressed in terms of the separation between the two spheres and another quantity B that is an intrinsic property of the screen. For a given screen, B can be determined by measuring the capacitance per unit area and separation between a flat piece of the screen and a parallel metal plate.

Edmonds, L.↗

Evaluation of charge control techniques on spacecraft thermal surfaces (electrostatic discharge study)

The charging and discharging characteristics of various dielectric materials commonly used on spacecraft were tested. The experimental apparatus and the calculations used to analyze the data generated during the testing are described. The test technique, results, and analysis used are presented. Indium tin oxide coated Teflon, Kapton, and quartz do not charge significantly. CTL 15 white paint shows no large charge build up. Pinholes in Teflon and Kapton increase the leakage through the sample and reduce the energy released in an arc. Conductive grids in Teflon and Kapton reduce the arc energy by two orders of magnitude over untreated samples. Extreme low temperatures (-195 C) do not significantly increase the arc energy of the gridded sample.

Robinson, P. A., Jr.↗

Direct Observation of Photoexcited Charge Carrier Dynamics and Electrostatic Fields at Photocatalytic Semiconductor/liquid Interfaces

Photoelectrochemical conversion of solar energy to fuels at semiconductor-liquid interfaces involves a complex set of processes, which include band bending, built-in electric fields, surface recombination of photoexcited carriers, and ultimately charge transfer to the ions in solution, in which the electrostatic fields within the depletion region of the semiconductor plays an important role. There are loss mechanisms associated with each of these key components in the overall photoelectrochemical conversion efficiency. Direct probe of these elementary processes is key to the rational improvement of photoeletrochemical cells and electrodes. In this collaborative project, Tianquan Lian at Emory University, Steve Cronin at University of Southern California and their students and postdoctoral fellows carried out a series of studies that are aimed at direct observation of photoexcited charge carrier dynamics at photocatalytic semiconductor/liquid interfaces. The collaborative work led to the development of transient reflectance spectroscopy as a tool for in situ probing of carrier dynamics in planar photoelectrode/electrode interface; and the demonstration that this tool can be used to study oxide protected GaP to identify key efficiency limiting factors in these photoelectrodes. This work has led to the development a tool for in situ probing of carrier dynamics in planar photoelectrodes, which will facilitate the mechanistic study of photoelectrochemical cells. This work informs the development of better photoelectrode materials for solar water splitting and CO 2 reduction. This work has contributed to the training of three PhD students in the area of photoelectrochemistry, ultrafast spectroscopy and solar energy conversion

14 SOLAR ENERGY↗

Point charge representation of multicenter multipole moments in calculation of electrostatic properties

Distributed Point Charge Models (PCM) for CO, (H2O)2, and HS-SH molecules have been computed from analytical expressions using multi-center multipole moments. The point charges (set of charges including both atomic and non-atomic positions) exactly reproduce both molecular and segmental multipole moments, thus constituting an accurate representation of the local anisotropy of electrostatic properties. In contrast to other known point charge models, PCM can be used to calculate not only intermolecular, but also intramolecular interactions. Comparison of these results with more accurate calculations demonstrated that PCM can correctly represent both weak and strong (intramolecular) interactions, thus indicating the merit of extending PCM to obtain improved potentials for molecular mechanics and molecular dynamics computational methods.

Non-NASA Center↗

Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties

The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

NASA Discipline Number 52-20↗

Inferring effective electrostatic interaction of charge-stabilized colloids from scattering using deep learning

In this article, an innovative strategy is presented that incorporates deep auto-encoder networks into a least-squares fitting framework to address the potential inversion problem in small-angle scattering. To evaluate the performance of the proposed approach, a detailed case study focusing on charged colloidal suspensions was carried out. The results clearly indicate that a deep learning solution offers a reliable and quantitative method for studying molecular interactions. The approach surpasses existing deterministic approaches with respect to both numerical accuracy and computational efficiency. Overall, this work demonstrates the potential of deep learning techniques in tackling complex problems in soft-matter structures and beyond.

36 MATERIALS SCIENCE↗

Electrostatic analysis of charge-coupled structures

An analysis is presented which is based upon a numerical solution of Gauss's law for the multiple dielectric semiconductor and electrode structure. The formulation resulted in a large set of equations, usually nonlinear, which were solved by an iterative scheme based upon the Gauss-Seidel method employing a relaxation parameter. Proper consideration of the nonlinearity of the space-charge in the semiconductor allowed convergent solutions which can give reasonable approximations to the channel potential profiles though not as good for estimating the space charge itself. The results of this work, which are three computer programs, are listed. None of the programs give the electric field explicitly as output data. However, when this information is desired, the programs can be expanded to include field estimations based on a polynominal fit to the potential field, or they may serve as subprograms for main programs dealing with general aspects of charge transfer.

Gassaway, J. D.↗

Charged drop dynamics experiment using an electrostatic-acoustic hybrid system

The design and the performance of an electrostatic-acoustic hybrid system and its application to a charge drop rotation experiment are presented. This system can levitate a charged drop electrostatically and induce drop rotation or oscillation by imposing an acoustic torque or an oscillating acoustic pressure. Using this system, the equilibrium shapes and stability of a rotating charged drop were experimentally investigated. A 3 mm size water drop was rotated as a rigid body and its gyrostatic equilibrium shapes were observed. Families of axisymmetric shapes, two-lobed shapes, and eventual fissioning have been observed. With the assumption of 'effective surface tension' in which the surface charge simply modified the surface tension of neutral liquid, the results agree exceptionally well with the Brown and Scriven's (1980) prediction for uncharged drops.

Rhim, W. K.↗

System Electrostatic Discharge Testing for Space Charging Caused ESD Events

This talk is about ground testing of spacecraft to determine immunity to the electrostatic discharges (ESDs) in certain Earth orbits. The particular spacecraft used as an example is the TOPEX/Poseidon spacecraft, an Earth orbiter with a 1334 km, 62 degree orbit. The talk is based on my recent experience with that spacecraft, but is an example of a generally good program. The program and this talk consist of the following elements: a discussion of the environment, showing the specific hazard areas on the spacecraft to illustrate the space charging and ESD process; spacecraft design features related to the environmental threat; the test device used for TOPEX/Poseidon; the test itself, including logistic and actions to avoid inadvertent damage to the spacecraft; and conclusions and lessons learned.

electrostatic↗

Ionic Liquid Gating of SrTiO 3 Lamellas Fabricated with a Focused Ion Beam

Here, in this work, we combine two previously incompatible techniques for defining electronic devices: shaping three-dimensional crystals by focused ion beam (FIB), and two-dimensional electrostatic accumulation of charge carriers. The principal challenge for this integration is nanometer-scale surface damage inherent to any FIB-based fabrication. We address this by using a sacrificial protective layer to preserve a selected pristine surface. The test case presented here is accumulation of 2D carriers by ionic liquid gating at the surface of a micron-scale SrTiO 3 lamella. Preservation of surface quality is reflected in superconductivity of the accumulated carriers. This technique opens new avenues for realizing electrostatic charge tuning in materials that are not available as large or exfoliatable single crystals, and for patterning the geometry of the accumulated carriers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Polarizable Water Potential Derived from a Model Electron Density

A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like atom. This framework is used to derive and parametrize individual terms describing charge penetration damped permanent electrostatics, damped polarization, charge transfer, anisotropic Pauli repulsion, and damped dispersion interactions. Initial parameter values were fit to Symmetry Adapted Perturbation Theory (SAPT) energy components for ten water dimer configurations, as well as the radial and angular dependence of the canonical dimer. The SAPT-based parameters were then systematically refined to extend the treatment to water bulk phases. The final HIPPO water model provides a balanced representation of a wide variety of properties of gas phase clusters, liquid water, and ice polymorphs, across a range of temperatures and pressures. This water potential yields a rationalization of water structure, dynamics, and thermodynamics explicitly correlated with an ab initio energy decomposition, while providing a level of accuracy comparable or superior to previous polarizable atomic multipole force fields. The HIPPO water model serves as a cornerstone around which similarly detailed physics-based models can be developed for additional molecular species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the origin of striae in cometary dust tails

It has been argued by Sekanina that the so-called striae or pseudo-synchronic bands observed in the dust tails of several comets are a consequence of the sudden disruption of elongated or chainlike parent grains in the tail. The present paper offers a specific mechanism for this disruption process, that is, electrostatic disruption following sudden charging to high electrostatic potentials. Assuming the grains to be prolate spheroids, it is shown that they can attain potentials in the range -60 V to -300 V when subject to energetic electron beams (1-10 keV). The energy source for these electrons is the interaction of the solar wind with the cometary ionosphere producing currents and associated electrostatic double layers.

Hill, J. R.↗

Charging Experiments and Filtration Testing on Facemask Materials: Towards Goals of Full Performance Restoration of Used N95 Masks and Enhancement of Common-Fabric Facemasks

Different techniques have been developed for sanitizing N95 masks while retaining whatever charge remains on them. However, these sanitizing methods do not address the fact that the electrical charge, filtration efficacy, and breathability of such masks may be expected to degrade during long-term use based on mechanisms known in the literature. In this study, approaches to electrically (re)charging facemask filter materials were explored in response to the COVID-19 induced shortage of N95 masks. The effort consisted of charging experiments followed by filtration testing conducted at the coupon level during a month-long period (May 2020). The main focus of the work was to develop a recharging technique which could eventually be adapted and used as part of a broader full-performance restoration process for used N95 masks, e.g., which might employ simple washing by alcohol or soapy water as a preceding step for sanitization and declogging. Most tested coupons were therefore nonwoven meltblown fibrous polypropylene (PP) filter media extracted from decades old N95 masks. Keeping in mind commonly used cloth facemasks, limited trials were also performed with some commercially available fabrics. Charging was done at elevated temperature and was followed by cooling to freeze in the applied charges produced from corona discharges using different electrode configurations and parameter combinations, or from triboelectric rubbing. Charging was also focused on using potentially scalable equipment, e.g., Van de Graaff generators or consumer ionic hair products. Some degree of success was achieved with one of the fabrics and the PP filter media which was first purposefully discharged to have typical filtration efficiency (FE) of ~35%. Numerous attempts at corona charging discharged media resulted in filtration efficiency (FE) ≥ 80 – 85%. Some measure of charge robustness was also established via stable performance during loading testing. However, results where FE ≥ 90% were not reliably repeatable and no results met the FE ≥ 95% goal due to shortcomings of the charging process. The best three trials for PP media statistically met the FE ≥ 90% criteria, amounted to a small percentage of the trials relying on an ionic hair dryer, and are attributed to good embedding of charges via aerodynamic force. Triboelectric charging significantly enhanced the viability of one of the polyester fabrics –measured FE increased from 19% up to 46% while maintaining a reasonably low pressure drop.

N95↗

Electrostatic Linear Actuator

Electrically charged helices attract or repel each other. Proposed electrostatic linear actuator made with intertwined dual helices, which holds charge-bearing surfaces. Dual-helix configuration provides relatively large unbroken facing charged surfaces (relatively large electrostatic force) within small volume. Inner helix slides axially in outer helix in response to voltages applied to conductors. Spiral form also makes components more rigid. Actuator conceived to have few moving parts and to be operable after long intervals of inactivity.

Collins, Earl R., Jr.↗

Toward an Understanding of Linear Scaling Relations through Energy Decomposition Analysis

The discovery of linear scaling relations has fundamentally changed the field of heterogeneous catalysis. The scaling relations have been rationalized based on the d-band theory, specifically a separation of sp and d electron contributions to adsorption energies. Within the framework of energy decomposition analysis, a full understanding of such a separation would require one to further break down the adsorption energy into distinct energy components such as electrostatics, polarization, charge transfer, and van der Waals interactions, and to examine the sp and d contributions to each of them. As a step in this direction, we analyzed the interaction energy between CH x (x = 1–4) adsorbates and fcc(100) transition metal surfaces (M = Cu, Ag, Au, Rh, and Pt), with the surfaces represented both as slabs in plane-wave density functional theory (pw-DFT) calculations and as atomic clusters in atomic-orbital basis density functional theory (ao-DFT) calculations. Through an absolutely localized molecular orbital (ALMO) based energy decomposition analysis of the ao-DFT adsorption energy, each of the interaction energy components (electrostatics, polarization, van der Waals, and charge transfer) was found to follow its own scaling relations, with an intricate interplay among these energy components yielding the overall scaling relations for the total adsorption energies. Using the recently introduced ALMO-based polarization and charge-transfer analysis schemes, we further dissected polarization into metal surface and adsorbate contributions, and charge transfer into metal → adsorbate and adsorbate → metal contributions. The contributions from the sp and d electrons of the metal to these terms were further quantified, and the dominant role of the metal d electrons was reaffirmed. These results shed light on how CHx adsorbates interact with metal surfaces and further reveal the physical origin of the scaling relations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗