Friction of Possible Solid Lubricants with Various Crystal Structures
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Peterson, Marshall B↗
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Effect of particle size and particle size distribution on physical characteristics, morphology and crystal structure of explosively compacted high-T(sub c) superconductors
A superconductor, of composition Y(Ba,K,Na)2Cu3O(x)/F(y) and a composite of composition Y(Ba,K,Na)2Cu3O(x)/F(y) + Ag, with changing K, Na and F content but a constant silver content (Ag = 10 mass%) was prepared using a single heat treatment. the resulting material was ground in a corundum lined mill, separated to particle size fractions of 0-40 micron, 0-63 micron and 63-900 micron and explosively compacted, using an explosive pressure of 10(exp 4) MPa and a subsequent heat treatment. Best results were obtained with the 63-900 micron fraction of composition Y(Ba(1.95) K(0.01)Cu3O(x)F(0),(05)/Ag: porosity less than 0.01 cu cm/g and current density 2800 A/sq cm at 77K.
Kotsis, I.↗
Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices (Invited)
As illustrated by the invited paper at this conference and other works, SiC wafers and epilayers contain a variety of crystallographic imperfections, including micropipes, closed-core screw dislocations, grain boundaries, basal plane dislocations, heteropolytypic inclusions, and surfaces that are often damaged and contain atomically rough features like step bunching and growth pits or hillocks. Present understanding of the operational impact of various crystal imperfections on SiC electrical devices is reviewed, with an emphasis placed on high-field SiC power devices and circuits.
Neudeck, Philip G.↗
Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices
Commercial epilayers are known to contain a variety of crystallographic imperfections. including micropipes, closed core screw dislocations. low-angle boundaries, basal plane dislocations, heteropolytypic inclusions, and non-ideal surface features like step bunching and pits. This paper reviews the limited present understanding of the operational impact of various crystal defects on SiC electrical devices. Aside from micropipes and triangular inclusions whose densities have been shrinking towards manageably small values in recent years, many of these defects appear to have little adverse operational and/or yield impact on SiC-based sensors, high-frequency RF, and signal conditioning electronics. However high-power switching devices used in power management and distribution circuits have historically (in silicon experience) demanded the highest material quality for prolonged safe operation, and are thus more susceptible to operational reliability problems that arise from electrical property nonuniformities likely to occur at extended crystal defects. A particular emphasis is placed on the impact of closed-core screw dislocations on high-power switching devices, because these difficult to observe defects are present in densities of thousands per cm,in commercial SiC epilayers. and their reduction to acceptable levels seems the most problematic at the present time.
Neudeck, Philip G.↗
Crystal structure of an Okazaki fragment at 2-A resolution
In DNA replication, Okazaki fragments are formed as double-stranded intermediates during synthesis of the lagging strand. They are composed of the growing DNA strand primed by RNA and the template strand. The DNA oligonucleotide d(GGGTATACGC) and the chimeric RNA-DNA oligonucleotide r(GCG)d(TATACCC) were combined to form a synthetic Okazaki fragment and its three-dimensional structure was determined by x-ray crystallography. The fragment adopts an overall A-type conformation with 11 residues per turn. Although the base-pair geometry, particularly in the central TATA part, is distorted, there is no evidence for a transition from the A- to the B-type conformation at the junction between RNA.DNA hybrid and DNA duplex. The RNA trimer may, therefore, lock the complete fragment in an A-type conformation.
Non-NASA Center↗
Nucleation of Protein Crystals: Structures, Dynamics and Control Pathways
No abstract available
Vekilov, Peter G.↗
Crystal structures and infrared spectra of two Fe-bearing hydrous magnesium silicates synthesized at high temperature and pressure
The synthesis and characterization of Fe-bearing phase E and phase E' demonstrate that the phase E-type structures can be rather compliant and complex, and that as we further explore the temperature-pressure-composition space, other types of structures that are similar to or related to the structure of phase E may be discovered.
hydrous silicates↗
Crystal Structure and Chemical Composition of a Presolar Silicate from the Queen Elizabeth Range 99177 Meteorite
Mineral characterization of presolar silicate grains, the most abundant stardust phase, has provided valuable information about the formation conditions in circumstellar environments and in super-nova (SN) outflows. Spectroscopic observations of dust around evolved stars suggest a majority of amor-phous, Mg-rich olivine grains, but crystalline silicates, most of which are pyroxene, have also been observed [1]. The chemical compositions of hundreds of presolar silicates have been determined by Auger spectroscopy and reveal high Fe contents and nonstoichiometric compositions intermediate to olivine and pyroxene [2-6]. The unexpectedly high Fe contents can partly be attributed to secondary alteration on the meteorite parent bodies, as some grains have Fe isotopic anomalies from their parent stellar source [7]. Only about 35 presolar silicates have been studied for their mineral structures and chemical compositions by transmission electron microscopy (TEM). These grains display a wide range of compositions and structures, including crystalline forsterite, crystalline pyroxene, nanocrystalline grains, and a majority of amorphous nonstoichiometric grains. Most of these grains were identified in the primitive Acfer 094 meteorite. Presolar silicates from this meteorite show a wide range of Fe-contents, suggestive of secondary processing on the meteorite parent body. The CR chondrite QUE 99177 has not suffered as much alteration [8] and displays the highest presolar silicate abundance to date among carbonaceous chondrites [3, 6]. However, no mineralogical studies of presolar silicates from this meteorite have been performed. Here we examine the mineralogy of a presolar silicate from QUE 99177.
Nguyen, A. N.↗
Evidence for a Hematite Ore Body on Mars
The Mars Global Surveyor (MGS) spacecraft was launched from Cape Kennedy in November 1996. MGS was put into orbit around Mars in September of 1997 and has since been sending back data from a suite of instruments, including the Thermal Emission Spectrometer (TES). The TES instrument is an interferometric spectrometer designed to map the surface mineralogy of Mars by measuring the midinfrared emitted radiation over the spectral region of about 1600 to 200 cm(exp -1) (about 6 to 50 microns). This mineralogically sensitive technique utilizes the characteristic intra- and inter-molecular vibrations of minerals that are manifested in the midinfrared spectra. These spectral "fingerprints" are unique because they are dependent upon chemical composition, crystal structure, crystal orientation, and other factors. Midinfrared spectral data received from the MGS-TES instrument have indicated the presence of a large deposit of hematite (alpha-Fe2O3) in Sinus Meridiani, Mars. This hematite ore body, that is accompanied by basalt, is really extensive, encompassing an area about 350 by 500 km. To better understand the geologic context of this large deposit, a detailed laboratory spectroscopic investigation was conducted using more than 20 hematite samples so that their spectra could be compared to the martian spectra. The samples included red and gray polycrystaline hand samples, gray single-crystal hand samples, and red and gray fine- and coarse-grained particulates. The laboratory analyses provided thermal emissivity spectra that, when compared to the hematite emissivity spectra from Mars, suggest the Sinus Meridiani hematite is possibly an exposure of oriented hematite grains. These grains are likely coarser that 10 microns (and may be much larger) and gray in color. The characteristic of oriented grains is suggested by the apparent crystal axis-dependence of the energy emitted from the surface of Mars. The strong degree of crystal alignment exhibited in the emissivity spectra of Mars suggests that these oriented hematite crystals most likely occur as bedrock of aligned specular hematite grains (possibly schistose in texture) or as a secondary coating on bedrock, rather than as discrete particles. We are investigating the nature of this vast hematite deposit in order to understand better the geologic setting and infer past conditions and geological evolution on Mars.
Morris, Richard V.↗
Evidence for a Hematite Ore Body on Mars
The Mars Global Surveyor (MGS) spacecraft was launched from Cape Kennedy in November 1996. MGS was put into orbit around Mars in September of 1997 and has since been sending back data from a suite of instruments, including the Thermal Emission Spectrometer (TES). The TES instrument is an interferometric spectrometer designed to map the surface mineralogy of Mars by measuring the midinfrared emitted radiation over the spectral region of approximately 1600 to 200 per centimeter (appjroximately 6 to 50 microns). This mineralogically sensitive technique utilizes the characteristic intra- and inter-molecular vibrations of minerals that are manifested in the midinfrared spectra. These spectral "fingerprints" are unique because they are dependent upon chemical composition, crystal structure, crystal orientation, and other factors. Midinfrared spectral data received from the MGS-TES instrument have indicated the presence of a large deposit of hematite (alpha-Fe2O3) in Sinus Meridiani, Mars. This hematite ore body, that is accompanied by basalt, is areally extensive, encompassing and area approximately 350 by 500 km. To better understand the geologic context of this large deposit, a detailed laboratory spectroscopic investigation was conducted using more than 20 hematite samples so that their spectra could be compared to the martian spectra. The samples included red and gray polycrystaline hand samples, gray single-crystal hand samples, and red and gray fine- and coarse-grained particulates. The laboratory analyses provided thermal emissivity spectra that, when compared to the hematite emissivity spectra from Mars, suggest the Sinus Meridiani hematite is possibly an exposure of oriented hematite grains. These grains are likely coarser that 10 microns (and may be much larger) and gray in color The characteristic of oriented grains is suggested by the apparent crystal axis-dependence of the energy emitted from the surface of Mars. The strong degree of crystal alignment exhibited in the emissivity spectra of Mars suggests that these oriented hematite crystals most likely occur as bedrock of aligned specular hematite grains (possibly schistose in texture) or as a secondary coating on bedrock, rather than as discrete particles. We are investigating the nature of this vast hematite deposit in order to understand better the geologic setting and infer past conditions and geological evolution on Mars.
Lane, M. D.↗
The structure of small, vapor-deposited particles. II - Experimental study of particles with hexagonal profile
'Multiply-twinned' gold particles with hexagonal bright field TEM profile were determined to be icosahedra composed of 20 identical and twin-related tetrahedral building units that do not have an fcc structure. The crystal structure of these slightly deformed tetrahedra is rhombohedral. Experimental evidence supporting this particle model was obtained by selected-zone dark field and weak beam dark field electron microscopy. In conjunction with the results of part I, it has been concluded that multiply-twinned gold particles of pentagonal or hexagonal profile that are found during the early stages of the vapor deposition growth process on alkali halide surfaces do not have an fcc crystal structure, which is in obvious contrast to the structure of bulk gold.
Yacaman, M. J.↗
Hybrid bandgap engineering for super-hetero-epitaxial semiconductor materials, and products thereof
"Super-hetero-epitaxial" combinations comprise epitaxial growth of one material on a different material with different crystal structure. Compatible crystal structures may be identified using a "Tri-Unity" system. New bandgap engineering diagrams are provided for each class of combination, based on determination of hybrid lattice constants for the constituent materials in accordance with lattice-matching equations. Using known bandgap figures for previously tested materials, new materials with lattice constants that match desired substrates and have the desired bandgap properties may be formulated by reference to the diagrams and lattice matching equations. In one embodiment, this analysis makes it possible to formulate new super-hetero-epitaxial semiconductor systems, such as systems based on group IV alloys on c-plane LaF.sub.3; group IV alloys on c-plane langasite; Group III-V alloys on c-plane langasite; and group II-VI alloys on c-plane sapphire.
Park, Yeonjoon↗
The Surface Structure of Ground Metal Crystals
The changes produced on metallic surfaces as a result of grinding and polishing are not as yet fully understood. Undoubtedly there is some more or less marked change in the crystal structure, at least, in the top layer. Hereby a diffusion of separated crystal particles may be involved, or, on plastic material, the formation of a layer in greatly deformed state, with possible recrystallization in certain conditions. Czochralski verified the existence of such a layer on tin micro-sections by successive observations of the texture after repeated etching; while Thomassen established, roentgenographically by means of the Debye-Scherrer method, the existence of diffused crystal fractions on the surface of ground and polished tin bars, which he had already observed after turning (on the lathe). (Thickness of this layer - 0.07 mm). Whether this layer borders direct on the undamaged base material or whether deformed intermediate layers form the transition, nothing is known. One observation ty Sachs and Shoji simply states that after the turning of an alpha-brass crystal the disturbance starting from the surface, penetrates fairly deep (approx. 1 mm) into the crystal (proof by recrystallization at 750 C).
Boas, W.↗
The strength of a calcified tissue depends in part on the molecular structure and organization of its constituent mineral crystals in their organic matrix
High-voltage electron-microscopic tomographic (3D) studies of the ultrastructural interaction between mineral and organic matrix in a variety of calcified tissues reveal different crystal structural and organizational features in association with their respective organic matrices. In brittle or weak pathologic or ectopic calcifications, including examples of osteogenesis imperfecta, calciphylaxis, calcergy, and dermatomyositis, hydroxyapatite crystals occur in various sizes and shapes and are oriented and aligned with respect to collagen in a manner which is distinct from that found in normal calcified tissues. A model of collagen-mineral interaction is proposed which may account for the observed crystal structures and organization. The results indicate that the ultimate strength, support, and other mechanical properties provided by a calcified tissue are dependent in part upon the molecular structure and arrangement of its constituent mineral crystals within their organic matrix.
Non-NASA Center↗
The effect of growth rate, diameter and impurity concentration on structure in Czochralski silicon crystal growth
It is demonstrated that maximum growth rates of up to 80% of the theoretical limit can be attained in Czochralski-grown silicon crystals while maintaining single crystal structure. Attaining the other 20% increase is dependent on design changes in the grower, to reduce the temperature gradient in the liquid while increasing the gradient in the solid. The conclusions of Hopkins et al. (1977) on the effect of diameter on the breakdown of structure at fast growth rates are substantiated. Copper was utilized as the test impurity. At large diameters (greater than 7.5 cm), concentrations of greater than 1 ppm copper were attained in the solid (45,000 ppm in the liquid) without breakdown at maximum growth speeds. For smaller diameter crystals, the sensitivity of impurities is much more apparent. For solar cell applications, impurities will limit cell performance before they cause crystal breakdown for fast growth rates of large diameter crystals.
Digges, T. G., Jr.↗
Structures of cyano-biphenyl liquid crystals
The structures of p-alkyl- p'-cyano- bicyclohexanes, C(n)H(2n+1) (C6H10)(C6H10) CN (n-CCH), and p-alkyl- p'-cyano- biphenyls, C(n)H(2n+1) (C6H4)(C6H4) CN (n-CBP), were studied. It is convenient to use an x ray image intensification device to search for symmetric x ray diffraction patterns. Despite the similarities in molecular structures of these compounds, very different crystal structures were found. For the smectic phase of 2CCH, the structure is close to rhombohedral with threefold symmetry. In contrast, the structure is close to hexagonal close-packed with two molecules per unit cell for 4CCH. Since intermolecular forces may be quite weak for these liquid crystals systems, it appears that crystal structures change considerably when the alkyl chain length is slightly altered. Different structures were also found in the crystalline phase of n-CBP for n = 6 to 9. For n = 7 to 9, the structures are close to monclinic. The structures are reminiscent of the smectic-A liquid crystal structures with the linear molecules slightly tilted away from the c-axis. In contrast, the structure is quite different for n = 6 with the molecules nearly perpendicular to the c-axis.
Chu, Yuan-Chao↗
Photocatalytic Coatings for Exploration and Spaceport Design
This project developed self-cleaning photocatalytic coatings that remove contamination without human intervention. The coatings chemically remove organic contaminants and leave no residue. The photocatalyst will not negatively affect other coating properties, especially corrosion resistance. Titanium dioxide, TiO2, is an extremely popular photocatalyst because of its chemical stability, nontoxicity, and low cost. TiO2 is commonly used in the photocatalytic oxidation of organic matter or pollutants in the gas and liquid phases. However, TiO2 does have some drawbacks. It has limited light absorption because of its large band-gap and suffers from a photonic efficiency of less than 10 percent for organic degradation. Dopants can lower the band-gap and improve efficiency. Since the photocatalytically active form of TiO2 is a nanocrystalline powder, it can be difficult to make a robust coating with enough catalyst loading to be effective. Photocatalysts become active when certain light energy is absorbed. When photons with an energy greater than the band-gap, Eg, (wavelengths shorter than 400 nm) impinge upon the surface of the TiO2, an electron-hole pair is formed. The electron-hole pair oxidizes adsorbed substances either directly or via reactive intermediates that form on the surface, such as hydroxyl radicals (OH) or superoxide ions (O2-). Several factors can influence the band-gap energy of TiO2, two of which are crystal structure and impurities. TiO2 exists as three crystal structures brookite, anatase, and rutile that can be controlled via heat treatment. Anatase is the most photocatalytically active crystal form of TiO2. Doping TiO2 with impurities can alter its band-gap energy, as well as its effectiveness as a catalyst. Depending on their size, dopant atoms can occupy either the substitutional or interstitial lattice positions. Atoms that are relatively large will assume the interstitial positions and create a much greater energy disturbance in the crystal than will smaller atoms that take on the substitutional positions. This energy disturbance narrows the band-gap and thus allows photons with longer wavelengths and smaller energies (such as those in the visible-light spectrum) to create electron-hole pairs. Raman spectroscopy was performed for the purpose of determining the crystal structure and the degree of crystallinity of the TiO2 particles. Reflectance measurements indicated the wavelengths of light absorbed by the different catalysts.
Source record↗
Computational Study on Full-length Human Ku70 with Double Stranded DNA: Dynamics, Interactions and Functional Implications
The Ku70/80 heterodimer is the first repair protein in the initial binding of double-strand break (DSB) ends following DNA damage, and is a component of nonhomologous end joining repair, the primary pathway for DSB repair in mammalian cells. In this study we constructed a full-length human Ku70 structure based on its crystal structure, and performed 20 ns conventional molecular dynamic (CMD) simulations on this protein and several other complexes with short DNA duplexes of different sequences. The trajectories of these simulations indicated that, without the topological support of Ku80, the residues in the bridge and C-terminal arm of Ku70 are more flexible than other experimentally identified domains. We studied the two missing loops in the crystal structure and predicted that they are also very flexible. Simulations revealed that they make an important contribution to the Ku70 interaction with DNA. Dislocation of the previously studied SAP domain was observed in several systems, implying its role in DNA binding. Targeted molecular dynamic (TMD) simulation was also performed for one system with a far-away 14bp DNA duplex. The TMD trajectory and energetic analysis disclosed detailed interactions of the DNA-binding residues during the DNA dislocation, and revealed a possible conformational transition for a DSB end when encountering Ku70 in solution. Compared to experimentally based analysis, this study identified more detailed interactions between DNA and Ku70. Free energy analysis indicated Ku70 alone is able to bind DNA with relatively high affinity, with consistent contributions from various domains of Ku70 in different systems. The functional implications of these domains in the processes of Ku heterodimerization and DNA damage recognition and repair can be characterized in detail based upon this analysis.
Hu, Shaowen↗