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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 55 records · Page 3

InP materials/cell fabrication

The main points of discussion, conclusions and recommendations of a workshop on InP materials and cell fabrication are given. The importance of assessing the quality of p-Inp crystals supplied by different vendors, back contacts to solar cells, junction formation, energy conversion efficiency, testing for radiation resistance, and future develpments were among the topics discussed.

Coutts, T. J.↗

Energetics of chondrule formation

Meteorite chondrules apparently were formed as a result of localized, transient heating events in the protoplanetary nebula. Such transient events, which seem to have heated the chondrules to temperatures in excess of 1500 C for not more than a few minutes, are not easily explicable in terms of the canonically accepted evolutionary processes of the nebular disk. Thus the occurrence of extraordinary dynamical processes may be indicated by the presence of chondrules and, consequently, the existence of chondrules poses questions fundamental to the understanding of protoplanetary and protostellar systems. This chapter briefly considers the gross energetics, as well as some related questions, of chondrule formation and the implications for several previously proposed sources of chondrule formation energy, including gravitational infall of the nebula, energy derived from solid-body impacts within the nebula, and energy liberated by dissipative evolution of the nebula itself.

Levy, E. H.↗

HgZnTe-based detectors for LWIR NASA applications

The initial goal was to grow and characterize HgZnTe and determine if it indeed had the advantageous properties that were predicted. Researchers grew both bulk and liquid phase epitaxial HgZnTe. It was determined that HgZnTe had the following properties: (1) microhardness at least 50 percent greater than HgCdTe of equivalent bandgap; (2) Hg annealing rates of at least 2 to 4 times longer than HgCdTe; and (3) higher Hg vacancy formation energies. This early work did not focus on one specific composition (x-value) of HgZnTe since NASA was interested in HgZnTe's potential for a variety of applications. Since the beginning of 1989, researchers have been concentrating, however, on the liquid phase growth of very long wavelength infrared (VLWIR) HgZnTe (cutoff approx. equals 17 microns at 65K) to address the requirements of the Earth Observing System (EOS). Since there are no device models to predict the advantages in reliability one can gain with increased microhardness, surface stability, etc., one must fabricate HgZnTe detectors and assess their relative bake stability (accelerated life test behavior) compared with HgCdTe devices fabricated in the same manner. Researchers chose to fabricate HIT detectors as a development vehicle for this program because high performance in the VLWIR has been demonstrated with HgCdTe HIT detectors and the HgCdTe HIT process should be applicable to HgZnTe. HIT detectors have a significant advantage for satellite applications since these devices dissipate much less power than conventional photoconductors to achieve the same responsivity.

Patten, Elizabeth A.↗

Molecular dynamics investigation of radiation damage in semiconductors

Results of a molecular dynamics investigation of the effects of radiation damage on the crystallographic structure of semiconductors are reported. Particular cosiderastion is given to the formation of point defects and small defect complexes in silicon at the end of a radiation-damage cascade. The calculations described make use of the equivalent crystal theory of Smith and Banerjea (1988). Results on the existence of an atomic displacement threshold, the defect formation energy, and some crystallographic information on the defects observed are reported.

Good, Brian S.↗

Generalization of Equivalent Crystal Theory to Include Angular Dependence

In the original Equivalent Crystal Theory, each atomic site in the real crystal is assigned an equivalent lattice constant, in general different from the ground state one. This parameter corresponds to a local compression or expansion of the lattice. The basic method considers these volumetric transformations and, in addition, introduces the possibility that the reference lattice is anisotropically distorted. These distortions however, were introduced ad-hoc. In this work, we generalize the original Equivalent Crystal Theory by systematically introducing site-dependent directional distortions of the lattice, whose corresponding distortions account for the dependence of the energy on anisotropic local density variations. This is done in the spirit of the original framework, but including a gradient term in the density. This approach is introduced to correct a deficiency in the original Equivalent Crystal Theory and other semiempirical methods in quantitatively obtaining the correct ratios of the surface energies of low index planes of cubic metals (100), (110), and (111). We develop here the basic framework, and apply it to the calculation of Fe (110) and Fe (111) surface energy formation. The results, compared with first principles calculations, show an improvement over previous semiempirical approaches.

Ferrante, John↗

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.↗

How Magnetically Conjugate Atmospheres and the Magnetosphere Participate in the Formation of Low‐Energy Electron Precipitation in the Region of Diffuse Aurora

The electron precipitation in the region of the diffuse aurora should be considered as a two‐step process (Khazanov et al., 2017, https://doi.org/10.1002/2016GL072063). The first one is the interaction of plasma sheet electrons with electrostatic electron cyclotron and/or whistler waves, moving those electrons into the loss cone to precipitate in both magnetically conjugate atmospheres. The second step is the interaction of these electrons with the ionosphere and atmosphere via their elastic and nonelastic collisions and reflection (backscatter) of degraded electrons back to magnetosphere and conjugate ionospheres. This paper presents the results of a newly developed scenario of non steady‐state electron precipitation dynamics that accounts for magnetosphere‐ionosphere‐atmosphere energy interplay over the entire energy range of the plasma sheet electron population and their affiliated secondary electrons. It also studies how both magnetically conjugate auroral regions work together with the magnetosphere in the formation of electron precipitation in the region of the diffuse aurora with the energy range coverage from 1 eV up to 10 keV.

George V Khazanov↗

Nonenzymatic formation of energy-rich lactoyl and glyceroyl thioesters from glyceraldehyde and a thiol

The energy rich thioester, N-acetyl-S-lactoylcysteine, is formed under anaerobic conditions from glyceraldehyde and N-acetylcysteine at ambient temperature in aqueous solutions of sodium phosphate (pH 7.0). The conversion occurs at a rate of about 0.4% per day in reactions with 10 millimoles (mM) glyceraldehyde, 10 mM thiol, and 500 mM sodium phosphate (pH 7.0). Thioester formation proceeds at an estimated efficiency of 76%. The formation of lactoyl thioester most likely occurs by the phosphate catalyzed dehydration of glyceraldehyde to give pyruvaldehyde, which combines with thiol to form a hemithioacetal that rearranges to the thioester. A second energy rich thioester, N-acetyl-S-glyceroylcysteine, is also produced from glyceraldehyde when these reactions are carried out in the presence of oxygen and to a limited extent in the absence of oxygen. In the presence of oxygen the formation of glyceroyl thioester continues until the thiol disappears completely by oxidation. The significance of these reactions to the energetics of the origin of life is discussed.

Weber, A. L.↗

Nonenzymatic formation of 'energy-rich' lactoyl and glyceroyl thioesters from glyceraldehyde and a thiol

The energy rich thioester, N-acetyl-S-lactoylcysteine, is formed under anaerobic conditions from glyceraldehyde and N-acetylcysteine at ambient temperature in aqueous solutions of sodium phosphate (pH 7.0). The conversion occurs at a rate of about 0.4 percent per day in reactions with 10 millimoles (mM) glyceraldehyde, 40 mM thiol, and 500 mM sodium phosphate (pH 7.0). Thioester formation proceeds at an estimated efficiency of 76 percent. The formation of lactoyl thioester most likely occurs by the phosphate catalyzed dehydration of glyceraldehyde to give pyruvaldehyde, which combines with thiol to form a hemithioacetal that rearranges to the thioester. A second energy rich thioester, N-acetyl-S-glyceroylcysteine, is also produced from glyceraldehyde when these reactions are carried out in the presence of oxygen and to a limited extent in the absence of oxygen. In the presence of oxygen, the formation of glyceroyl thioester continues until the thiol disappears completely by oxidation. The significance of these reactions to the energetics of the origin of life is discussed.

Weber, A. L.↗

Prebiotic formation of 'energy-rich' thioesters from glyceraldehyde and N-acetylcysteine

The 'energy-rich' thioester, N-acetyl-S-lactoylcysteine, is formed from low concentrations of glyceraldehyde and N-acetylcysteine under anaerobic conditions at ambient temperature in aqueous solutions of sodium phosphate (pH 7.0). Reactions with 2mM glyceraldehyde, 2mM N-acetylcysteine, and 500 mM sodium phosphate (pH 7.0) convert about 0.3 percent/day of the glyceraldehyde to lactoyl thioester. The formation of lactoyl thioester in similar reactions with 500 mM imidazole hydrochloride (pH 7.0) is supported by the thiol-dependence of lactate formation, which is 3-fold greater in the presence of thiol (0.11 percent/day) than in the absence of thiol (0.04 percent/day). The formation of lactoly thioester is thought to proceed by the phosphate (or imidazole)-catalyzed dehydration of glyceraldehyde, which adds to the thiol to form a hemithioacetal that rearranges to the thioester. A limited amount of a second thioester, N-acetyl-S-glyceroyl-cysteine, is also formed at the beginning of these reactions. The significance of these reactions to the origin of life is discussed.

Weber, A. L.↗

Surface Passivation and Junction Formation Using Low Energy Hydrogen Implants

New applications for high current, low energy hydrogen ion implants on single crystal and polycrystal silicon grain boundaries are discussed. The effects of low energy hydrogen ion beams on crystalline Si surfaces are considered. The effect of these beams on bulk defects in crystalline Si is addressed. Specific applications of H+ implants to crystalline Si processing are discussed. In all of the situations reported on, the hydrogen beams were produced using a high current Kaufman ion source.

Fonash, S. J.↗

Ice crystal growth in water vapor at high saturation

A simple technique is presented for estimating the energy of formation of monolayer icelike clusters at ice-vapor interfaces. Under the assumptions that the ice surfaces are smooth and sparsely covered with monomers, dimers, etc., in near equilibrium with the vapor, and that the bond energies and configurational entropy dominate the energy of formation, it is found that the basal surfaces prefer triangular embryos with an orientation which reverses from layer to layer, whereas the most stable clusters on the prism surfaces are rectangular in configuration. The preferred prism clusters are determined to have a significantly lower critical energy of formation than the basal clusters due to differences in both corner free energy and configurational entropy. This phenomenon provides a mechanism for strongly anisotropic crystal growth at high saturations.

Bartley, D. L.↗

Acoustic Effects in Classical Nucleation Theory

The effect of sound wave oscillations on the rate of nucleation in a parent phase can be calculated by expanding the free energy of formation of a nucleus of the second phase in powers of the acoustic pressure. Since the period of sound wave oscillation is much shorter than the time scale for nucleation, the acoustic effect can be calculated as a time average of the free energy of formation of the nucleus. The leading non-zero term in the time average of the free energy is proportional to the square of the acoustic pressure. The Young-Laplace equation for the surface tension of the nucleus can be used to link the time average of the square of the pressure in the parent phase to its time average in the nucleus of the second phase. Due to the surface tension, the pressure in the nuclear phase is higher than the pressure in the parent phase. The effect is to lower the free energy of formation of the nucleus and increase the rate of nucleation.

Baird, J. K.↗

Process Feasibility Study in Support of Silicon Material, Task 1

During this reporting period, major activies were devoted to process system properties, chemical engineering and economic analyses. Analyses of process system properties was continued for materials involved in the alternate processes under consideration for solar cell grade silicon. The following property data are reported for silicon tetrafluoride: critical constants, vapor pressure, heat of varporization, heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation and Gibb's free energy of formation. Chemical engineering analysis of the BCL process was continued with primary efforts being devoted to the preliminary process design. Status and progress are reported for base case conditions; process flow diagram; reaction chemistry; material and energy balances; and major process equipment design.

Li, K. Y.↗

Process feasibility study in support of silicon material task 1

Process system properties are analyzed for materials involved in the alternate processes under consideration for solar cell grade silicon. The following property data are reported for trichlorosilane: critical constants, vapor pressure, heat of vaporization, gas heat capacity, liquid heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation, and Gibb's free energy of formation. Work continued on the measurement of gas viscosity values of silicon source materials. Gas phase viscosity values for silicon tetrafluoride between 40 C and 200 C were experimentally determined. Major efforts were expended on completion of the preliminary economic analysis of the silane process. Cost, sensitivity and profitability analysis results are presented based on a preliminary process design of a plant to produce 1,000 metric tons/year of silicon by the revised process.

Li, K. Y.↗

Process Feasibility Study in Support of Silicon Material Task 1

Analysis of process system properties was continued for silicon source materials under consideration for producing silicon. The following property data are reported for dichlorosilane which is involved in processing operations for silicon: critical constants, vapor pressure, heat of vaporization, heat capacity, density, surface tension, thermal conductivity, heat of formation and Gibb's free energy of formation. The properties are reported as a function of temperature to permit rapid engineering usage. The preliminary economic analysis of the process is described. Cost analysis results for the process (case A-two deposition reactors and six electrolysis cells) are presented based on a preliminary process design of a plant to produce 1,000 metric tons/year of silicon. Fixed capital investment estimate for the plant is $12.47 million (1975 dollars) ($17.47 million, 1980 dollars). Product cost without profit is 8.63 $/kg of silicon (1975 dollars)(12.1 $/kg, 1980 dollars).

Li, K. Y.↗

Bidirectional anisotropies in solar cosmic ray events - Evidence for magnetic bottles

During the period 1967-1973 data were obtained from five satellites in order to investigate bidirectional anisotropies in low-energy solar protons and to study electron events. Detailed consideration is given to the characteristics of two observed solar electron events. It is particularly noted that (1) the mean duration of bidirectional anisotropy is about 9 hours, (2) for most events the bidirectional anisotropy occurs at the minimum of the associated Forbush decrease, (3) the existence of bidirectional anisotropy in subrelativistic electrons associated with an interplanetary shock is not expected as anisotropies in impulsive solar electron events usually decay quickly within a time of not more than an hour at 1 AU, and (4) simultaneous observations show a significant difference in the nature of the angular distributions first between electrons and protons and second between different proton energies. The formation of bidirectional anisotropy by propagation and by energy change is also discussed.

Palmer, I. D.↗