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At least 217 records · Page 12

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.

Lawson, John W.↗

Plasticity and Kinky Chemistry of Carbon Nanotubes

Since their discovery in 1991, carbon nanotubes have been the subject of intense research interest based on early predictions of their unique mechanical, electronic, and chemical properties. Materials with the predicted unique properties of carbon nanotubes are of great interest for use in future generations of aerospace vehicles. For their structural properties, carbon nanotubes could be used as reinforcing fibers in ultralight multifunctional composites. For their electronic properties, carbon nanotubes offer the potential of very high-speed, low-power computing elements, high-density data storage, and unique sensors. In a continuing effort to model and predict the properties of carbon nanotubes, Ames accomplished three significant results during FY99. First, accurate values of the nanomechanics and plasticity of carbon nanotubes based on quantum molecular dynamics simulations were computed. Second, the concept of mechanical deformation catalyzed-kinky-chemistry as a means to control local chemistry of nanotubes was discovered. Third, the ease of nano-indentation of silicon surfaces with carbon nanotubes was established. The elastic response and plastic failure mechanisms of single-wall nanotubes were investigated by means of quantum molecular dynamics simulations.

Srivastava, Deepak↗

Electron transport and space shielding handbook

The transport of electrons through material is discussed with emphasis on space radiation problems. Brief reviews of the electron radiation environment and electron transport properties are presented. Parametric representations of the electron transmitted fraction, energy spectrum, angular distribution, backscatter coefficient, and energy deposition are given as functions of electron energy and target material. Parametric equations for thick target bremsstrahlung are presented. Calculations of the transport of isotropically incident electrons relevant to space applications are shown. Comparisons of parametric representation with data, photon attenuation coefficients, electron energy deposition data, flux-to-dose conversion relations, and formalism applicable to space shielding problems are presented.

Shreve, D. C.↗

X-Ray Photoelectron Spectroscopy Study of the Heating Effects on Pd/6H-SiC Schottky Structure

X-ray photoelectron spectroscopy is used to study the effects of heat treatment on the Pd/6H-SiC Schottky diode structure. After heating the structure at 425 C for 140 h, a very thin surface layer of PdO mixed with SiO(x) formed on the palladium surface of the Schottky structure. Heat treatment promoted interfacial diffusion and reaction which significantly broadened the interfacial region. In the interfacial region, the palladium concentration decreases with depth, and the interfacial products are Pd(x)Si (x = 1,2,3,4). In the high Pd concentration regions, Pd4Si is the major silicide component while gr and Pd2Si are major components in the low Pd concentration region. At the center of the interface, where the total palladium concentration equals that of silicon, the concentrations of palladium associated with various palladium silicides (Pd(x)Si, x= 1,2,3,4) are approximately equal. The surface passivation layer composed of PdO and SiO, may significantly affect the electronic and catalytic properties of the surface of the Schottky diode which plays a major role in gas detection. The electronic properties of the Schottky structure may be dominated by a (Pd+Pd(x)Si)/SiC interface. In order to stabilize the properties of the Schottky structure the surface and interface diffusion and reactions must be controlled.

Chen, Liang-Yu↗

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding

The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.

Lambrecht, Walter R. L.↗

Advanced electric motor technology flux mapping

Design of electric motors which fulfill the needs of Thrust Vector Control (TVC) actuators used in large rocket propelled launch vehicles is covered. To accomplish this end the methodology of design is laid out in some detail. In addition a point design of a motor to fulfill the requirements of a certain actuator specified by MSFC is accomplished and reported upon. In the course of this design great stress has been placed on ridding the actuator of internally generated heat. To conduct the heat out of the motor use is made of the unique properties of the in house MSFC designed driving electronics. This property is that as along as they are operated in a quasi-linear mode the electronics nullify the effects of armature inductance as far as the phase of the armature current versus the rotor position is concerned. Actually the additional inductance due to the extended end turns in this design is of benefit because in the shorted armature failure mode the armature current in the fault (caused by the rotor flux sweeping past the armature) is diminished at a given rotor speed when compared to a more conventional motor with lower inductance. The magnetic circuit is analyzed using electromagnetic finite element methods.

Doane, George B., III↗

Radio-frequency heating of the coronal plasma during flares

A model is developed for the radio-frequency (RF) heating of soft X-ray emitting plasma in solar flares due to absorption of amplified cyclotron radiation. The radiation, carrying approximately 10 to the 27th to approximately 10 to the 30th erg/s, is generated through maser emission following partial precipitation of electrons in one or more flaring loops. The maser operates in a large number of small regions, each producing an 'elementary burst' (EB) of short duration. This radiation propagates either directly or after reflection to the second-harmonic absorption layer, where it is absorbed by thermal electrons. The properties of EBs and the heating of the electrons in the absorption layer are discussed in detail. RF heating and evaporation models for the production of soft X-ray emitting plasma are compared. Properties of the RF heating model that explain observed features are energy transport across field lines, rapid heating (in approximately 1 s) of coronal plasma to approximately 3 x 10 to the 7th K, and instigation of turbulent velocities up to the ion sound speed.

Melrose, D. B.↗

Experimental Investigation of Charging Properties of Interstellar Type Silica Dust Grains by Secondary Electron Emissions

The dust charging by electron impact is an important dust charging processes in astrophysical and planetary environments. Incident low energy electrons are reflected or stick to the grains charging the dust grains negatively. At sufficiently high energies electrons penetrate the grains, leading to excitation and emission of electrons referred to as secondary electron emission (SEE). Available classical theoretical models for calculations of SEE yields are generally applicable for neutral, planar, or bulk surfaces. These models, however, are not valid for calculations of the electron impact charging properties of electrostatically charged micron/submicron-size dust grains in astrophysical environments. Rigorous quantum mechanical models are not yet available, and the SEE yields have to be determined experimentally for development of more accurate models for charging of individual dust grains. At the present time, very limited experimental data are available for charging of individual micron-size dust grains, particularly for low energy electron impact. The experimental results on individual, positively charged, micron-size lunar dust grains levitated carried out by us in a unique facility at NASA-MSFC, based on an electrodynamic balance, indicate that the SEE by electron impact is a complex process. The electron impact may lead to charging or discharging of dust grains depending upon the grain size, surface potential, electron energy, electron flux, grain composition, and configuration (Abbas et al, 2010, 2012). In this paper, we discuss SEE charging properties of individual micron-size silica microspheres that are believed to be analogs of a class of interstellar dust grains. The measurements indicate charging of the 0.2m silica particles when exposed to 25 eV electron beams and discharging when exposed to higher energy electron beams. Relatively large size silica particles (5.2-6.82m) generally discharge to lower equilibrium potentials at both electron energies. These measurements conducted on silica microspheres are qualitatively similar in nature to our previous SEE measurements on lunar Apollo missions dust samples.

Tankosic, D.↗

Experimental Evaluation of Steady-State Control Properties of an Electron-Bombardment Ion Thrustor

Examined in this report are the experimental steady-state gains, or changes, in beam-current output with changes in thrustor inputs for a 10-centimeter-diameter electron-bombardment ion thrustor. A general leveling off of beam current as a function of an input variable was found at the upper range of each variable, At the design operating point, the filament-heating current exhibited the greatest sensitivity, or percentage beam-current output change for a percentage change in the input (2 to 4). Accelerator voltage showed the least effect (0.04) while discharge voltage, magnetic field, and neutral propellant flow exhibited about the same sensitivity (0.4 to 0.5). Some effects of nonlinearity are shown that may require consideration in the design of a closed-loop control system.

CONTROL↗

The radial gradients and collisional properties of solar wind electrons

The plasma instrument on Mariner 10 carried out measurements of electron density and temperature in the interplanetary medium between heliocentric distances of 0.85 and 0.45 AU. Due to the stable coronal configuration and low solar activity during the period of observation, the radial variations of these quantities could be obtained. The power-law exponent of the core temperature was measured to be -0.3 + or - 0.04, and the halo temperature was found to be almost independent of heliocentric distance. The exponent of the power law for the density variation was 2.5 + or - 0.2 and the extrapolated value at 1 AU was consistent with measured values during the same period. Calculations of the core electron self-collision time, and the core-halo equipartition time were made as a function of radial distance. These measurements indicate a macroscale picture of a Coulomb-collisional core and a collisionless isothermal halo. Extrapolating back to the sun, core and halo temperatures become equal at a radial distance of approx. 2-15 radii.

Gilvie, K. W.↗

The radial gradients and collisional properties of solar wind electrons

The plasma electron detector on Mariner 10 is used to obtain measurements of electron density and temperature in the interplanetary medium between heliocentric distances of 0.85 and 0.45 AU. The observations show quantitatively that the core of the electron distribution function can be described as collisional at least for radial distances within 1 AU, since with a very few well-marked exceptions associated with high-speed streams, the Coulomb collisional momentum relaxation length is less than the density scale height at all times and all radial distances at which data were obtained. It is found that the Coulomb energy exchange collisions between the core and the (test) halo population are negligible. The power law exponent of the core temperature is about -0.3, whereas the halo temperature is almost independent of heliocentric distance.

Ogilvie, K. W.↗

Use of Froehlich-Raimes and other electronic models for physical properties of metals and alloys

The effectiveness of the Froelich-Raimes model in treating force constants and alloy behavior is discussed. Typical predictions of trends include the deviation of Vegard's Law and the variation of the bulk modulus with pressure and with alloying elements. The simple model of Koskimaki and Waber using the linear combination of the density of states led to several useful predictions for titanium based alloys.

Waber, J. T.↗

Properties of solar flare electrons, deduced from hard X-ray and spatially resolved microwave observations

An important question concerning an understanding of impulsive solar flares is related to the energetic electrons responsible for the microwave and the hard X-ray emission. A description is presented of an investigation in which spatially resolved microwave observations of an impulsive flare and hard X-ray data from the Solar Maximum Mission (SMM) are used to test the hypothesis that the two types of emission come from the same basic electron population. The considered observations are found to imply that the microwaves and hard X-rays were not produced by a common population of electrons with either a Maxwellian or single power-law energy distribution. It is suggested that the calculations should be repeated when observations of stronger events become available, for which a better determination of the X-ray spectrum is possible. The possibility is considered that microwaves and moderately hard X-rays come from spatially different regions.

Marsh, K. A.↗

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys and superlattices

This proposal was mainly concerned with the theoretical study of semiconductor compounds, alloys, and superlattices of interest for photovoltaic applications. In the last year (1991) a study was devoted to metal/graphite bonding in relation to use of graphite fiber reinforcement of Cu for high thermal conductivity applications. The main research topics addressed during the full period of the grant are briefly described: studies of the In-Ga-As ternary system; band-offsets at common anion and InAs/GaSb/AlSb heterojunctions; alloy theory (cluster variation method); and Cu/graphite bonding. Most of the work was described more extensively in previous yearly reports and renewal applications and in publications. The last topic is described more fully in a separate report attached. A list of publications resulting directly from this grant or from other grants but related to this work and of conference presentations is given at the end.

Lambrecht, Walter R. L.↗