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At least 415 records · Page 23

Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT

The plane-wave pseudopotential (PW-PP) formalism is widely used for the first-principles electronic structure calculation of extended periodic systems. The PW-PP approach has also been adapted for real-time time-dependent density functional theory (RT-TDDFT) to investigate time-dependent electronic dynamical phenomena. In this work, we detail recent advances in the PW-PP formalism for RT-TDDFT, particularly how maximally localized Wannier functions (MLWFs) are used to accelerate simulations using the exact exchange. We also discuss several related developments, including an anti-Hermitian correction for the time-dependent MLWFs (TD-MLWFs) when a time-dependent electric field is applied, the refinement procedure for TD-MLWFs, comparison of the velocity and length gauge approaches for applying an electric field, and elimination of long-range electrostatic interaction, as well as usage of a complex absorbing potential for modeling isolated systems when using the PW-PP formalism.

Chemistry↗

ATS-6 - UCSD auroral particles experiment

The University of California at San Diego Auroral Particles Experiment aboard Applications Technology Satellite-6 (ATS-6) is discussed. The experiment is designed to investigate the time development of geomagnetic substorm particles, the confinement and loss of such particles, and the roles of plasma wave instabilities and characteristic system periodicities in substorm and general magnetospheric processes. The instrumentation includes a complement of five electrostatic charged particle detectors. Two detector assemblies are capable of rotation through 220 deg. The electrostatic curved plate energy/unit charge analyzers are ovoid, requiring particles to be bent only 55 deg to obtain azimuthal focusing. The inside of the plates is serrated to eliminate particles striking the sides. A post-analysis electrostatic lens consisting of two wire grids, one at the potential of the inner plate and one at the potential of ground, focuses particles strongly upon the center of the sensor. A spiraltron particle sensor detects the charged particles. The system has an energy range of five orders of magnitude with a lower extreme of less than 1 eV. Preliminary data are presented to illustrate phenomena which are observed as a result of the novel features described.

Mauk, B. H.↗

Storage of ions from laser-produced plasmas

A method of storing large numbers of metal ions created in laser-produced plasmas is presented. The outer electrode of the electrostatic ion trap is designed to give a harmonic axial potential. The ions trapped by the technique included Be(+), C(+), Al(+), Fe(+), and Pb(+). The initial number of ions stored (2 x 10 to the 8th) appeared to be the trap maximum since increasing the laser power beyond 2-3 MW did not change the ion number. An initial rapid decay in the 30-50 msec range was generally followed by a long tail at the 10% level with times greater than 100 msec. The technique should be valuable for refractory elements which cannot be easily vaporized for electron impact ionization.

Knight, R. D.↗

Solar cell arcing: The role of outgassing and contamination

The effect of outgassing, venting, and thruster firing events on spacecraft system performance has been a long standing issue. Recent laboratory measurements on negatively biased high voltage solar cells at Physical Sciences Inc. (PSI) suggest that some currently designed and certainly future space power systems must address/re-evaluate this issue. Our observations show that exposing these cells to moderate levels (10 exp -3 torr-min) of H2O vapor enhances the arcing frequency, while heating to 85 C to remove water vapor significantly reduces the arc frequency. The interaction of the adhesive used to attach the cover glass to the solar cell with ambient water vapor is the key factor in determining arcing rates. Elimination of adhesive exposed to the environmental plasma reduces the arc frequency more than two orders of magnitude, and eliminates any sensitivity to H2O exposure. The adhesive may also become a source of spacecraft contamination. Macroscopic amounts were observed to blow off some arc events, and (we assume) electrostatically precipitate at other negatively biased locations. Data, analysis, and potential impact for future space platforms are discussed.

Marinelli, W. J.↗

Acoustic Streaming in Microgravity: Flow Stability and Heat Transfer Enhancement

Experimental results are presented for drops and bubbles levitated in a liquid host, with particular attention given to the effect of shape oscillations and capillary waves on the local flow fields. Some preliminary results are also presented on the use of streaming flows for the control of evaporation rate and rotation of electrostatically levitated droplets in 1 g. The results demonstrate the potential for the technological application of acoustic methods to active control of forced convection in microgravity.

Trinh, E. H.↗

Flight evidence of spacecraft surface contamination rate enhancement by spacecraft charging obtained with a quartz crystal microbalance

The significance of the fraction of the mass outgassed by a negatively charged space vehicle which is ionized within the vehicle plasma sheath and electrostatically reattracted to the space vehicle was determined. The ML-12 retarding potential analyzer/temperature controlled quartz crystal microbalances (RPA/TQCMs) distinguishes between charged and neutral molecules and investigates contamination mass transport mechanism. Two long term, quick look flight data sets indicate that on the average a significant fraction of mass arriving at one RPA/TQCM is ionized. It is assumed that vehicle frame charging during these periods was approximately uniformly distributed in degree and frequency. It is shown that electrostatic reattraction of ionized molecules is an important contamination mechanism at and near geosynchronous altitudes.

Clark, D. M.↗

Thin electrostatically self-focusing electron streams.

Study of 30 to 380 microampere, 50 to 550 V, 1 to 2 mm, electrostatically self-focusing electron streams (50 cm long) drifting through mercury vapor (at 50 microtorr to 2 millitorr) in a tube with a radius of 6.6 cm. The inside surface of the tube is coated with a transparent layer whose resistivity is 50 ohm-cm per centimeter. In order to determine the charged-particle densities and the potential profile in and around the beam without disturbing the system, a multigrid electrostatic charged particle energy analyzer was used to study separately the energy distributions of both ions and electrons ejected radially from the beam. The results show two energy groupings for electrons. The energy distribution of the high-energy group is produced by ionizing collisions between beam electrons and neutral gas atoms; a group of flow-energy electrons becomes trapped in the potential well within and around the beam, subsequently escaping by collisional mechanisms.

Mccorkle, R. A.↗

SEPAC data analysis in support of the environmental interaction program

Injections of nonrelativistic electron beams from an isolated equipotential conductor into a uniform background of plasma and neutral gas were simulated using a two dimensional electrostatic particle code. The ionization effects of spacecraft charging are examined by including interactions of electrons with neutral gas. The simulations show that the conductor charging potential decreases with increasing neutral background density due to the production of secondary electrons near the conductor surface. In the spacecraft wake, the background electrons accelerated towards the charged space craft produced an enhancement of secondary electrons and ions. Simulations run for longer times indicate that the spacecraft potential is further reduced and short wavelength beam-plasma oscillations appear. The results are applied to explain the space craft charging potential measured during the SEPAC experiments from Spacelab 1. A second paper is presented in which a two dimensional electrostatic particle code was used to study the beam radial expansion of a nonrelativistic electron beam injected from an isolated equipotential conductor into a background plasma. The simulations indicate that the beam radius is generally proportional to the beam electron gyroradius when the conductor is charged to a large potential. The simulations also suggest that the charge buildup at the beam stagnation point causes the beam radial expansion. From a survey of the simulation results, it is found that the ratio of the beam radius to the beam electron gyroradius increases with the square root of beam density and decreases inversely with beam injection velocity. This dependence is explained in terms of the ratio of the beam electron Debye length to the ambient electron Debye length. These results are most applicable to the SEPAC electron beam injection experiments from Spacelab 1, where high charging potential was observed.

Lin, Chin S.↗

Anomalous transport in discrete arcs and simulation of double layers in a model auroral circuit

The evolution and long-time stability of a double layer in a discrete auroral arc requires that the parallel current in the arc, which may be considered uniform at the source, be diverted within the arc to charge the flanks of the U-shaped double-layer potential structure. A simple model is presented in which this current re-distribution is effected by anomalous transport based on electrostatic lower hybrid waves driven by the flank structure itself. This process provides the limiting constraint on the double-layer potential. The flank charging may be represented as that of a nonlinear transmission. A simplified model circuit, in which the transmission line is represented by a nonlinear impedance in parallel with a variable resistor, is incorporated in a 1-d simulation model to give the current density at the DL boundaries. Results are presented for the scaling of the DL potential as a function of the width of the arc and the saturation efficiency of the lower hybrid instability mechanism.

Smith, Robert A.↗

The electrospray: Fundamentals and combustion applications

Liquid fuel dispersion in practical systems is typically achieved by spraying the fuel into a polydisperse distribution of droplets evaporating and burning in a turbulent gaseous environment. In view of the nearly unsurmountable difficulties of this two-phase flow, it would be useful to use an experimental arrangement that allow a systematic study of spray evolution and burning in configurations of gradually increasing levels of complexity, starting from laminar sprays to fully turbulent ones. An Electrostatic Spray (ES) of charged droplets lends itself to this type of combustion experiments under well-defined conditions and can be used to synthesize gradually more complex spray environments. In its simplest configuration, a liquid is fed into a small metal tube maintained at several kilovolts relative to a ground electrode few centimeters away. Under the action of the electric field, the liquid meniscus at the outlet of the capillary takes a conical shape, with a thin jet emerging from the cone tip. This jet breaks up farther downstream into a fine spray of charged droplets. Several advantages distinguish the electrospray from alternative atomization techniques: the self-dispersion property of the spray due to coulombic repulsion; the absence of droplet coalescence; the potential control of the trajectories of charged droplets by suitable disposition of electrostatic fields; and the decoupling of atomization, which is strictly electrostatic, from gas flow processes. Furthermore, as recently shown in our laboratory, the electrospray can produce quasi-monodisperse droplets over a very broad size range (1-100 microns). The ultimate objective of this research project is to study the formation and burning of electrosprays of liquid fuels first in laminar regimes and then in turbulent ones. Combustion will eventually be investigated in conditions of three-dimensional droplet-droplet interaction, for which experimental studies have been limited to either qualitative observations in sprays or more quantitative observations on simplified systems consisting of a small number of droplets or droplet arrays. The compactness and potential controllability of this spray generaiton system makes it appealing for studies to be undertaken in the next two years on electrospray combustion in reduced-gravity environments such as those achievable at NASA microgravity test facilities.

Gomez, Alessandro↗

EMI from Spacecraft Docking Systems Spacecraft Charging - Plasma Contact Potentials

The plasma contact potential of a visiting vehicle (VV), such as the Orion Service Module (SM), is determined while docking at the Orion Crew Exploration Vehicle (CEV). Due to spacecraft charging effects on-orbit, the potential difference between the CEV and the VV can be large at docking, and an electrostatic discharge (ESD) could occur at capture, which could degrade, disrupt, damage, or destroy sensitive electronic equipment on the CEV and/or VV. Analytical and numerical models of the CEV are simulated to predict the worst-case potential difference between the CEV and the VV when the CEV is unbiased (solar panels unlit: eclipsed in the dark and inactive) or biased (solar panels sunlit: in the light and active).

Norgard, John D.↗

Improved Einzel lenses

New insulator configuration simplifies construction of three-electrode electrostatic electron lenses in which center electrode is at high electrical potential. Spherical sapphire insulators are used in lieu of conventional tubular ceramic or plastic insulators in Einzel lens assembly.

Hart, R. K.↗

Space manufacturing III; Proceedings of the Fourth Conference, Princeton University, Princeton, N.J., May 14-17, 1979

Papers are presented on the various technological, political, economic, environmental and social aspects of large manufacturing facilities in space. Specific topics include the potential global market for satellite solar power stations in 2025, the electrostatic separation of lunar soil, methods for extraterrestrial materials processing, the socio-political status of efforts toward the development of space manufacturing facilities, the financing of space industrialization, the optimization of space manufacturing systems, the design and project status of Mass Driver Two, and the use of laser-boosted lighter-than-air-vehicles as heavy-lift launch vehicles. Attention is also given to systems integration in the development of controlled ecological life support systems, the design of a space manufacturing facility to use lunar materials, high performance solar sails, the environmental effects of the satellite power system reference design, the guidance, trajectory and capture of lunar materials ejected from the moon by mass driver, the relative design merits of zero-gravity and one-gravity space environments, consciousness alteration in space and the prospecting and retrieval of asteroids.

Grey, J.↗

Theoretical studies of the first- and second-row transition-metal mono- and dicarbonyl positive ions

Ab initio calculations have been carried out on the first- and second-row transition-metal mono- and dicarbonyl positive ions. The bonding in these systems is discussed in detail. Trends in the series of mono- and dicarbonyl ions and between the first- and second-row transition metals are explained in terms of a dominantly electrostatic bonding interaction and differences in metal ion state separations, ionization potentials, and s and d orbital sizes. Dissociation energies are presented and a detailed comparison is made with experimental data. Where reliable experimental data exists, agreement with the theoretical results is generally good.

Barnes, Leslie A.↗

SEPAC data analysis in support of the environmental interaction program

The main objective is to conduct data analyses of SEPAC data and computer modeling to investigate spacecraft environment effects associated with injection of electron beam, plasma clouds, and neutral gas clouds from the Shuttle Orbiter. To understand the dependence of spacecraft charging potential on beam density and other plasma parameters, a two dimensional electrostatic particle code was used to simulate the injection of electron beams from an infinite conductor into a plasma. The ionization effects on spacecraft charging are examined by including interactions of electrons with neutral gases. A survey of the simulation results is presented and discussed.

Lin, C. S.↗

Roto-Translational Collision-Induced Absorption of CO2 for the Atmosphere of Venus at Frequencies from 0 to 250 cm(exp -1), at Temperatures from 200 to 800 K

The collision-induced absorption (CIA)of gaseous CO2 is the primary source of far-infrared opacity of the atmosphere of Venus. At the temperatures and densities of the venusian atmosphere, the absorption is due mainly to binary collisions of CO2 molecules. Using a realistic anisotropic intermolecular potential and assuming the absorbing dipole to be due to the electrostatic induction and a quantum overlap, a series of molecular dynamics simulations were performed for the temperature range 200 to 800 K, and the roto-translational (RT) collision-induced absorption spectra at frequencies from 0 to 250 cm(exp -1) were derived. The absorption coefficient in the submillimeter region, used in constituency retrieval studies, decreases more than 10 times in the temperature range 200 to 800 K. On the other hand, the absorption coefficient at 800 K and at the frequency range above 150 cm(exp -1) was found to be almost 10 times higher than at 200 K. Earlier works relied on experimental RT CIA data at a fixed temperature of 300 K. The new, temperature-dependent absorption bands may, when included in the analysis of the atmospheric radiative transfer of the planet, help explain the observed high far-infrared opacity of the lower layers of the atmosphere. To make the results of the simulations readily available for atmospheric abundance and radiative transfer analysis, an analytic model of the roto-translational collision-induced absorption spectral profile, applicable from 200 to 800 K, is being proposed here. The FORTRAN computer code of this newly developed model is available from the authors on request.

Gruszka, Marcin↗

Advanced Plasma Propulsion for Human Missions to Jupiter

This paper will briefly identify a promising fusion plasma power source, which when coupled with a promising electric thruster technology would provide for an efficient interplanetary transfer craft suitable to a 4 year round trip mission to the Jovian system. An advanced, nearly radiation free Inertial Electrostatic Confinement scheme for containing fusion plasma was judged as offering potential for delivering the performance and operational benefits needed for such high energy human expedition missions, without requiring heavy superconducting magnets for containment of the fusion plasma. Once the Jovian transfer stage has matched the heliocentric velocity of Jupiter, the energy requirements for excursions to its outer satellites (Callisto, Ganymede and Europa) by smaller excursion craft are not prohibitive. The overall propulsion, power and thruster system is briefly described and a preliminary vehicle mass statement is presented.

Donahue, Benjamin B.↗