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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 19 records

A Printing-Centric Approach to the Electrostatic Modification of Polymer/Clay Composites for Use in 3D Direct-Ink Writing

Polymer/clay composite inks are exceptionally useful materials for fabrication processes based on 3D direct-ink writing, however, there remains an insufficient understanding of how their physiochemical dynamics impact printability. Using a model system, N-isopropylacrylamide/Laponite, the electrostatic interactions between Laponite platelets are modified to tune critical rheological properties in order to improve printability. Rheological measurements and X-ray scattering experiments are carried out to monitor the nano/micro-structural dynamics and complex physicochemical interactions of Laponite as it impacts complex modulus in the linear region, flow behavior, thixotropy, and yield stress of the composite ink. Modification of the electrostatic interactions between platelets reduces the yield stress of the material, while maintaining a complex microstructure that allows for sufficient recovery times upon removal of stress to form stable, and thus printable, filaments. A printing-centric approach is established based on a fundamental understanding of electrostatic inter-particle interactions, harnessing the innate microstructure of Laponite in 3D direct-ink writing of composites.

Rauzan, Brittany M.↗

Comparison of Electrostatic and Non-Electrostatic Models for U(VI) Sorption on Aquifer Sediments

We report that a non-electrostatic generalized composite surface complexation model (SCM) was developed for U(VI) sorption on contaminated F-Area sediments from the U.S. Department of Energy Savannah River Site, South Carolina. The objective of this study was to test if a simpler, semi-empirical, non-electrostatic U(VI) sorption model (NEM) could achieve the same predictive performance as a SCM with electrostatic correction terms in describing U(VI) plume evolution and long-term mobility. One-dimensional reactive transport simulations considering key hydrodynamic processes, Al and Fe minerals, as well as H + and U surface complexation, with and without electrostatic correction terms, were conducted. The NEM was first calibrated with laboratory batch H + and U(VI) sorption data on F-Area sediments, and then the surface area of the NEM was adjusted to match field observations of dissolved U(VI). Modeling results indicate that the calibrated NEM was able to perform as well as the previously developed electrostatic model in predicting the long-term evolution of H + and U(VI) at the site, given the variability of field-site data. The electrostatic and NEM models yield somewhat different results for the time period when basin discharge was active; however, it is not clear which modeling approach may be better to model this early time period because groundwater quality data during this period were not available. Lastly, a key finding of this study is that the applicability of NEM (and thus robustness of its predictions) to the field system evolves with time and is strongly dependent on the pH range that was used to develop the model.

58 GEOSCIENCES↗

Electrostatic charge buildup and electrostatic discharge monitoring system and method

A system for monitoring electrostatic charge buildup and electrostatic discharge (ESD) remotely comprises a plurality of electrostatic charge measurement units and a data acquisition device. Each electrostatic charge measurement unit includes a primary charge plate, a static sensor device, a secondary charge plate, and a shielded cable. The primary charge plate is positioned proximal to an object. The static sensor device includes an input sensor at which an electric voltage is measured and outputs an electronic signal whose level varies according to the measured electric voltage. The secondary charge plate is positioned in proximity to the input sensor of the static sensor device. The shielded cable includes an inner conductor electrically connected to the primary charge plate and the secondary charge plate and an outer conductor electrically connected to electrical ground. The data acquisition device receives the electronic signal from the static sensor device of each electrostatic charge measurement unit.

Schantz, Eric T.↗

Electrostatic levitation facility optimized for neutron diffraction studies of high temperature liquids at a spallation neutron source

Neutron diffraction studies of metallic liquids provide valuable information about inherent topological and chemical ordering on multiple length scales as well as insight into dynamical processes at the level of a few atoms. However, there exist very few facilities in the world that allow such studies to be made of reactive metallic liquids in a containerless environment, and these are designed for use at reactor-based neutron sources. We present an electrostatic levitation facility, NESL (for Neutron ElectroStatic Levitator), which takes advantage of the enhanced capabilities and increased neutron flux available at spallation neutron sources (SNSs). NESL enables high quality elastic and inelastic neutron scattering experiments to be made of reactive metallic and other liquids in the equilibrium and supercooled temperature regime. The apparatus is comprised of a high vacuum chamber, external and internal neutron collimation optics, and a sample exchange mechanism that allows up to 30 samples to be processed between chamber openings. Two heating lasers allow excellent sample temperature homogeneity, even for samples approaching 500 mg, and an automated temperature control system allows isothermal measurements to be conducted for times approaching 2 h in the liquid state, with variations in the average sample temperature of less than 0.5%. To demonstrate the capabilities of the facility for elastic scattering studies of liquids, a high quality total structure factor for Zr{sub 64}Ni{sub 36} measured slightly above the liquidus temperature is presented from experiments conducted on the nanoscale-ordered materials diffractometer (NOMAD) beam line at the SNS after only 30 min of acquisition time for a small sample (∼100 mg)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS

The APBS software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages. APBS has enjoyed widespread adoption throughout the biomedical community and is used in numerous applications involving biomolecular structures. However, visualization of complex biomolecular electrostatic properties can be challenging for two-dimensional graphics systems. Therefore, advanced visualization and manipulation capabilities have been incorporated. In particular, APBS tools have been integrated with the UnityMolX virtual reality platform to provide an immersive experience for preparing biomolecular systems for calculations as well as visualizing and comparing calculated results.

electrostatics, molecular visualization, solvation↗

Facile electrostatic self-assembly of silicon/reduced graphene oxide porous composite by silica assist as high performance anode for Li-ion battery

Silicon(Si)/graphene composite has been regarded as one of the most promising candidates for next generation anode materials with high power and energy density in lithium ion batteries. Introduction of graphene in Si anodes could improve the electronic conductivity, suppress the severe volume expansion of Si, and facilitate the formation of stable solid electrolyte interphase, etc. However, traditionally mechanical mixing of Si and graphene cannot realize uniform distribution of Si particles on the graphene sheets, which would largely weaken the effectiveness of the graphene in the composite. In this work, nano-Si/reduced graphene oxide porous composite (p Si/rGO) has been fabricated by a facile electrostatic self-assembly approach via using SiO2 as the sacrificial template. Compared with the simply mechanically mixed nano-Si and rGO (Si/rGO), the nano-Si particles could be more uniformly dispersed among the rGO sheets in the p Si/rGO, which significantly increases its electronic conductivity. Moreover, the drastic volume expansion of nano-Si during repeated lithiation/delithiation cycles also has been effectively accommodated by the large number of pores left after removing the SiO2 template in the composite. Thus, the p Si/rGO presented largely enhanced electrochemical performances, showing a high reversible capacity up to 1849?mA?h?g-1 at 0.2?A?g-1 with good capacity retention, and high rate capability (535?mA?h?g-1 at 2?A?g-1).

Silicon, Reduced graphene oxide, Electrostatic sel↗

Fundamental form of the electrostatic δf-PIC algorithm and discovery of a converged numerical instability

The δf particle-in-cell algorithm has been a useful tool in studying the physics of plasmas, particularly turbulent magnetized plasmas in the context of gyrokinetics. The reduction in noise due to not having to resolve the full distribution function indicates an efficiency advantage over the standard (“full-f”) particle-in-cell. Despite its successes, the algorithm behaves strangely in some circumstances. In this work, we document a fully resolved numerical instability that occurs in the simplest of multiple-species test cases: the electrostatic Ω{sub H} mode. There is also a poorly understood numerical instability that occurs when one is under-resolved in particle number, which may require a prohibitively large number of particles to stabilize. Both of these are independent of the time-stepping scheme, and we conclude that they exist if the time advancement were exact. The exact analytic form of the algorithm is presented, and several schemes for mitigating these instabilities are also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

G-mode magnetic force microscopy: Separating magnetic and electrostatic interactions using big data analytics

In this work, we develop a full information capture approach for Magnetic Force Microscopy (MFM), referred to as generalized mode (G-Mode) MFM. G-Mode MFM acquires and stores the full data stream from the photodetector, captured at sampling rates approaching the intrinsic photodiode limit. The data can be subsequently compressed, denoised, and analyzed, without information loss. Here, G-Mode MFM is implemented and compared to the traditional heterodyne-based MFM on model systems, including domain structures in ferromagnetic Yttrium Iron Garnet and the electronically and magnetically inhomogeneous high entropy alloy, CoFeMnNiSn. We investigate the use of information theory to mine the G-Mode MFM data and demonstrate its usefulness for extracting information which may be hidden in traditional MFM modes, including signatures of nonlinearities and mode-coupling phenomena. Finally, we demonstrate detection and separation of magnetic and electrostatic tip-sample interactions from a single G-Mode image, by analyzing the entire frequency response of the cantilever. G-Mode MFM is immediately implementable on any atomic force microscopy platform and as such is expected to be a useful technique for probing spatiotemporal cantilever dynamics and mapping material properties, as well as their mutual interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electrostatic design and conditioning of a triple point junction shield for a –200 kV DC high voltage photogun [Electrostatic design of a triple point junction shield for a -200 kV DC high voltage photogun using COMSOL]

Nuclear physics experiments performed at the Continuous Electron Beam Accelerator Facility (CEBAF) at the Jefferson Lab require a DC high voltage photogun to generate polarized electron beams from GaAs photocathodes. The photogun uses a tapered ceramic insulator that extends into the vacuum chamber and mechanically holds the cathode electrode. Increasing the operating voltage from nominal –130 kV to –200 kV will provide lower beam emittance, better transmission through injector apertures, and improved photocathode lifetime. This desire to increase the photogun operating voltage led to the design of a triple-point-junction shield electrode which minimizes the electric field at the delicate insulator-metal-vacuum interface and linearizes the potential across the insulator, thus reducing the risk of arcing along the ceramic insulator. Furthermore, this work describes the results obtained using COMSOL® electrostatic-field simulation software and presents the high voltage conditioning results of the upgraded –200 kV CEBAF photogun.

47 OTHER INSTRUMENTATION↗

Kinetic Plasma Simulation in the MOOSE Framework: Verification of Electrostatic Particle In Cell Capabilities

In magnetic confinement nuclear fusion reactors, the interaction between the plasma edge and plasma facing components is extremely important. At the plasma edge, a kinetic representation such as particle-in-cell (rather than a fluid representation) is required to accurately capture the plasma behavior. General purpose particle-in-cell plasma simulation capabilities have been developed in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. This new capability is a part of the development of a new MOOSE-based framework for modeling plasma facing components, the Fusion ENergy Integrated multiphys-X (FENIX) framework. In this work, the verification of foundational particle-in-cell capabilities in FENIX is presented. This new plasma simulation capability has three main components: moving particles in discrete steps on the finite element mesh, mapping charge density from the particle's location to the finite element mesh, and solving for the electrostatic potential based on the charge density mapped from particles to the mesh. In this paper, simple verification problems demonstrating each of these new capabilities are presented, and future work includes electromagnetic capabilities and Monte Carlo collisions with neutral gas particles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the Equilibrium Electrostatic Potential and Light-Induced Charge Redistribution in Halide Perovskite Structures

Lead halide perovskites are semiconductor materials which are employed as nonintentionally doped absorbers inserted between two selective carrier transport layers (SCTL), realizing a p-i-n or n-i-p heterojunction. In our study, we have developed and investigated a lateral device, based on methylammonium lead iodide (MAPbI3) in which the p-i-n heterojunction develops in the horizontal direction. Our research suggests that the effective doping level in the MAPbI3 film should be very low, below 1012 cm-3. Along the vertical direction, this doping level is not enough to screen the electric field of the buried heterojunction with the SCTL. The perovskite work function is therefore affected by the work function of the SCTL underneath. From drift-diffusion simulations, we show that intrinsic perovskite-SCTL structures develop mV range surface photovoltages (SPVs) under continuous illumination. However, perovskite-SCTL structures can develop SPVs of hundreds of mV, as confirmed by our measurements. We therefore analyzed the compatibility between low doping and low defect densities in the perovskite layer and such high SPV values using numerical modeling. It is shown that these high SPV values could originate from electronic processes due to large band offsets in the buried perovskite-SCTL heterojunctions, or at the SCTL-transparent conductive oxide (TCO) buried heterojunction. However, such electronic processes can hardly explain the long SPV persistence after switching off the illumination.

defects↗