Electrostatic charge distribution on ultrahigh vacuum cleaved silicates.
Electrostatic charge distribution on ultrahigh vacuum cleaved silicates including instrumentation, UV irradiation, half life, Paschen relation, etc
Grossman, J. J.↗
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A computer program for calculating the charge distribution about a space vehicle
Computer program for charge distribution around ionospheric space vehicle
SPACE VEHICLE↗
Direct determination of the ionic charge distribution of heavy ions in Fe-rich solar energetic particle events
The first direct determination of the iron charge distribution in the energy range 0.3-1.0 MeV/nucleon during Fe-rich and He-3-rich solar energetic particle events is reported. The deterimination was made on the basis of ISEE-3 data for the event from August 1978 to October 1979. The enrichment of He-3 iron relative to oxygen was found to be directly correlated with the enrichment of He-3 to He-4. Average ion charge distributions were computed for: (1) He-3-rich periods which were also Fe-rich and had a He-3/He-4 ratio of 0.1 and (2) periods with a He-3/He-4 ratio of less than 0.1. It is found that the mean iron charge state for He-3-rich periods was in the range 19.5 (+ or - 1.5) and only 14 (+ or - 1) for the time periods with He-3/He-4 less than ratio of 0.1. The reduced data are found to be in good agreement with the theoretical predictions of Fisk (1978), suggesting a temperature in the source region above 5 million degrees K for Fe-rich and He-3-rich solar energetic particle events.
Klecker, B.↗
Charge distributions near metal-dielectric interfaces before and after dielectric surface flashover
A technique was developed for measuring surface charge distribution near interfaces without placing any measuring apparatus near the face of the samples. The results of measurements which were made on FEP Teflon and Kapton dielectrics, before and after are given flashover, with various types of interfaces. Also given are data showing mean time between flashovers for various configurations exposed to a variety of environmental conditions. Several charge transfer mechanisms are considered as a means by which stable charge distributions may be maintained near interfaces.
Robinson, J. W.↗
Muonic X-ray spectra and charge distribution in deformed nuclei plus
Muon-meson X-ray spectra and charge distribution in deformed nuclei
QUANTUM MECHANICS↗
Charge Distribution on S and Intercluster Bond Evolution in Mo 6 S 8 during the Electrochemical Insertion of Small Cations Studied by X-ray Absorption Spectroscopy
Mo 6 S 8 is regarded as a promising cathode material in rechargeable Mg batteries. Despite extensive studies, some fundamental questions are still unclarified, including the origination of the chemical stability, key factors inducing the structural evolution, and the factors determining the electrochemical reversibility. In this work, Mo L 2,3 and S K-edge X-ray absorption spectroscopy are utilized to uncover the underlying mechanism. Two kinds of S with different effective charge are found, indicating the nonuniform charge distribution. With one cation inserted, the charge distribution becomes homogeneous, relevant to the chemical stability and electrochemical reversibility. The structural evolution is attributed to the change of bond length induced by the delocalization of inserted cations. Moreover, the evolution of intercluster Mo-Mo bond length can be revealed by the drastic change of the S K pre-edge and is closely related to the electrochemical reversibility. This study can shed light on the aforementioned questions and guide the development of Mg cathode material.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Thermal processing to modulate surface chemistry and bulk charge distribution in nickel-rich layered lithium positive electrodes
The broader application of nickel-rich layered oxides as positive electrode materials for lithium-ion batteries has been hindered by their high manufacturing cost and inferior cycling stability. Thermal processing, which is integral to electrode materials manufacturing and fundamental in materials science, has not been fully utilized to design advanced positive electrode materials. Herein, we demonstrate the capability of using quenching heat treatment to regulate Li distribution and modulate electronic structure near particle surface. The resulting materials exhibit less parasitic reactions with the electrolyte and an improved charge distribution homogeneity in secondary particles, leading to more stable cycling performance at high voltages (4.5 V vs Li/Li + ). Our synchrotron X-ray analyses reveal the underlying interplay between surface structure and bulk charge distribution in positive electrode materials particles. While strategies used to stabilize positive electrode materials through compositional control, surface modification, and electrolyte engineering have become mature, thermal processing can be advantageous to further improve positive electrode materials manufacturing.
36 MATERIALS SCIENCE↗
Ionic strength independence of charge distributions in solvation of biomolecules
Electrostatic forces enormously impact the structure, interactions, and function of biomolecules. We perform all-atom molecular dynamics simulations for 5 proteins and 5 RNAs to determine the dependence on ionic strength of the ion and water charge distributions surrounding the biomolecules, as well as the contributions of ions to the electrostatic free energy of interaction between the biomolecule and the surrounding salt solution (for a total of 40 different biomolecule/solvent combinations). Although water provides the dominant contribution to the charge density distribution and to the electrostatic potential even in 1M NaCl solutions, the contributions of water molecules and of ions to the total electrostatic interaction free energy with the solvated biomolecule are comparable. The electrostatic biomolecule/solvent interaction energies and the total charge distribution exhibit a remarkable insensitivity to salt concentrations over a huge range of salt concentrations (20 mM to 1M NaCl). The electrostatic potentials near the biomolecule's surface obtained from the MD simulations differ markedly, as expected, from the potentials predicted by continuum dielectric models, even though the total electrostatic interaction free energies are within 11% of each other.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Effect of Fe{sub 3}O{sub 4} nanoparticles on space charge distribution in propylene carbonate under impulse voltage
Addition of nanoparticles of the ferromagnetic material Fe{sub 3}O{sub 4} can increase the positive impulse breakdown voltage of propylene carbonate by 11.65%. To further investigate the effect of ferromagnetic nanoparticles on the space charge distribution in the discharge process, the present work set up a Kerr electro-optic field mapping measurement system using an array photodetector to carry out time-continuous measurement of the electric field and space charge distribution in propylene carbonate before and after modification. Test results show that fast electrons can be captured by Fe{sub 3}O{sub 4} nanoparticles and converted into relatively slow, negatively charged particles, inhibiting the generation and transportation of the space charge, especially the negative space charge.
36 MATERIALS SCIENCE↗
Charge Distribution in Mesospheric Clouds
This work presents an analytical model for the physical understanding of the charge distribution on pure (with high work function) and dirty (with low work function) ice dust particles in polar mesospheric clouds PMCs (NLCs and PMSEs). The analysis is based on number and energy balance of constituents and allows the charge to be only an integral multiple (positive or negative) of the electronic charge.
79 ASTRONOMY AND ASTROPHYSICS↗
Effect of applied potential on metal surfaces: Surface energy, Wulff shape and charge distribution
Here we use grand canonical density functional theory to predict the surface energies, Wulff shapes, charge distributions and catalytically active sites of different metal surfaces under electrochemical conditions. We propose a method for computing surface energies from grand canonical density functional theory (GC-DFT) calculations of periodic slab models and use it to compute the surface energies of the facets of Pt, Cu, and Ag crystals to predict their Wulff shapes under electrochemical conditions. GC-DFT predicts that, for the pure metals studied, solvation only slightly affects the Wulff shape while applied potentials considerably affect the surface energies and corresponding Wulff shapes. We used Bader charge analysis of GC-DFT computed electron densities to investigate the effect of applied potential on the distribution of electron density over the atoms of the surfaces of Pt, Cu, Ag, and the 75–25 Ag-Pt and Au-Ni alloys. This analysis shows that, under an applied potential, the electron density is unevenly distributed over the surface atoms and that the charges of atoms more exposed to solvent are more sensitive to bias. Our results show that the most sensitive atom to bias can be used to identify the most favorable adsorption site and thus, the active sites of electrochemical reactions, which is computationally less demanding than calculating the adsorption energies on all possible adsorption sites.
36 MATERIALS SCIENCE↗
Computer programs calculate potential and charge distributions in a plasma
Computer program determines the potential and charge distributions between two electrodes in a plasma. Solutions of the Vlasov equations for plane, cylindrical, and spherical geometries are determined and density distributions are found for each of these configurations over a range of conditions.
Jefferies, N. P.↗
Post-synthetic modulation of the charge distribution in a metal–organic framework for optimal binding of carbon dioxide and sulfur dioxide
Modulation of pore environment is an effective strategy to optimize guest binding in porous materials. We report the post-synthetic modification of the charge distribution in a charged metal–organic framework, MFM-305-CH3, [Al(OH)(L)]Cl, [(H2L)Cl ¼ 3,5-dicarboxy-1-methylpyridinium chloride] and its effect on guest binding. MFM-305-CH3 shows a distribution of cationic (methylpyridinium) and anionic (chloride) centers and can be modified to release free pyridyl N-centres by thermal demethylation of the 1- methylpyridinium moiety to give the neutral isostructural MFM-305. This leads simultaneously to enhanced adsorption capacities and selectivities (two parameters that often change in opposite directions) for CO2 and SO2 in MFM-305. The host–guest binding has been comprehensively investigated by in situ synchrotron X-ray and neutron powder diffraction, inelastic neutron scattering, synchrotron infrared and 2 H NMR spectroscopy and theoretical modelling to reveal the binding domains of CO2 and SO2 in these materials. CO2 and SO2 binding in MFM-305-CH3 is shown to occur via hydrogen bonding to the methyl and aromatic-CH groups, with a long range interaction to chloride for CO2. In MFM-305 the hydroxyl, pyridyl and aromatic C–H groups bind CO2 and SO2 more effectively via hydrogen bonds and dipole interactions. Post-synthetic modification via dealkylation of the as-synthesised metal–organic framework is a powerful route to the synthesis of materials incorporating active polar groups that cannot be prepared directly.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Microscopic modeling of mass and charge distributions in the spontaneous fission of 240 Pu
We propose a methodology to calculate microscopically the mass and charge distributions of spontaneous fission yields. We combine the multidimensional minimization of collective action for fission with stochastic Langevin dynamics to track the relevant fission paths from the ground-state configuration up to scission. The nuclear potential energy and collective inertia governing the tunneling motion are obtained with nuclear density functional theory in the collective space of shape deformations and pairing. As a result, we obtain a quantitative agreement with experimental data and find that both the charge and mass distributions in the spontaneous fission of 240 Pu are sensitive both to the dissipation in collective motion and to adiabatic fission characteristics.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Modeling nanoparticle charge distribution in the afterglow of non-thermal plasmas and comparison with measurements
Particle charging in the afterglows of non-thermal plasmas typically take place in a non-neutral space charge environment. We model the same by incorporating particle-ion collision rate constant models, developed in prior work by analyzing particle-ion trajectories calculated using Langevin Dynamics simulations, into species transport equations for ions, electrons and charged particles in the afterglow. A scaling analysis of particle charging and additional Langevin Dynamics calculations of the particle-ion collision rate constant are presented to extend the range of applicability to ion electrostatic to thermal energy ratios of 300 and diffusive Knudsen number (that scales inversely with gas pressure) up to 2000. The developed collision rate constant models are first validated by comparing predictions of particle charge against measured values in a stationary, non-thermal DC plasma from past PK-4 campaigns published in Phys. Rev. Lett. 93(8): 085001 and Phys. Rev. E 72(1): 016406). The comparisons reveal excellent agreement within ±35% for particles of radius 0.6,1.0,1.3 μm in the gas pressure range of ~20-150 Pa. The experiments to probe particle charge distributions by Sharma et al. (J. Physics D: Appl. Phys. 53(24): 245204) are modeled using the validated particle-ion collision rate constant models and the calculated charge fractions are compared with measurements. The comparisons reveal that the ion/electron concentration and gas temperature in the afterglow critically influence the particle charge and the predictions are generally in qualitative agreement with the measurements. Along with critical assessment of the modeling assumptions, several recommendations are presented for future experimental design to probe charging in afterglows.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
A stepped leader model for lightning including charge distribution in branched channels
The stepped leader process in negative cloud-to-ground lightning plays a vital role in lightning protection analysis. As lightning discharge usually presents significant branched or tortuous channels, the charge distribution along the branched channels and the stochastic feature of stepped leader propagation were investigated in this paper. The charge density along the leader channel and the charge in the leader tip for each lightning branch were approximated by introducing branch correlation coefficients. In combination with geometric characteristics of natural lightning discharge, a stochastic stepped leader propagation model was presented based on the fractal theory. By comparing simulation results with the statistics of natural lightning discharges, it was found that the fractal dimension of lightning trajectory in simulation was in the range of that observed in nature and the calculation results of electric field at ground level were in good agreement with the measurements of a negative flash, which shows the validity of this proposed model. Furthermore, a new equation to estimate the lightning striking distance to flat ground was suggested based on the present model. The striking distance obtained by this new equation is smaller than the value estimated by previous equations, which indicates that the traditional equations may somewhat overestimate the attractive effect of the ground.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Charge distribution and response time for a modulation-doped extrinsic infrared detector
The electric charge distribution and response time of a modulation-doped extrinsic infrared detector are determined. First, it is demonstrated theoretically that the photoconductive layer is effectively depleted of ionized majority-impurity charges so that scattering is small and mobility is high for photogenerated carriers. Then, using parameters appropriate to an actual detector, the predicted response time is 10 to the -8th to about 10 to the -9th s, which is much faster than comparable conventional detectors. Thus, the modulation-doped detector design would be valuable for heterodyne applications.
Hadek, Victor↗
Polarization-Induced Charge Distribution at Homogeneous Zincblende/Wurtzite Heterostructural Junctions in ZnSe Nanobelts
Homogeneous heterostructural wurtzite (WZ)/zincblende (ZB) junctions are successfully fabricated in ZnSe nanobelts. Polarity continuity across the ZB/WZ interface is demonstrated. The saw-tooth-like potential profile induced by spontaneous polarization across the WZ/ZB/WZ interfaces is identified directly at the nanoscale. The polarization-induced charge distribution across the homogeneous heterostructural interfaces is proposed as a viable alternative approach towards charge tailoring in semiconductor nanostructures.
14 SOLAR ENERGY↗