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At least 19 records

Multilayer Relaxation Features on (100) and (111) Surfaces of Beta-SiC

Multilayer relaxation features were investigated for beta-SiC surfaces. Calculations include (1 x 1), (2 x 1) and c(2 x 2) phases of the (100) surface, and the (1 x 1) structure of the (111) surface. For both C- and Si-terminated surfaces, variations in the top three interlayer spacings were calculated. The largest vertical displacement was calculated for the top interlayer spacing of the (111) surface. In general, it was found that top interlayer spacings contract, while the second interlayer spacings expand moderately. The third interlayer spacings, on the other hand, were found to exhibit very small amounts of contractions. Dimerization energies and bond distances were also calculated for reconstructed phases of the (100) surface. Calculated results were compared with data from the literature.

Halicioglu, Timur↗

Free surfaces and multilayer interfaces in the GaAs/AlAs system

Semiempirical potential energy functions have been utilized for a variety of calculations in the Ga-Al-As system. Surface energies have been calculated for several orientations of GaAs. Ledge energies for the GaAs (0 0 -1) (As-terminated) surface show long-range interaction effects with the ledge energy increasing with spacing. GaAs (001)/AlAs (001) superlattices have been simulated for a range of interlayer spacings with the excess interfacial energy per interlayer increasing from 5 erg/sq cm at an interlayer spacing of 1 molecular layer (5.8 A) to 50 erg/sq cm at an interlayer spacing of 18 molecular layers (103.8 A).

Choi, D. K.↗

Improved Thermal-Insulation Systems for Low Temperatures

Improved thermal-insulation materials and structures and the techniques for manufacturing them are undergoing development for use in low-temperature applications. Examples of low-temperature equipment for which these thermal insulation systems could provide improved energy efficiency include storage tanks for cryogens, superconducting electric-power-transmission equipment, containers for transport of food and other perishable commodities, and cold boxes for low-temperature industrial processes. These systems could also be used to insulate piping used to transfer cryogens and other fluids, such as liquefied natural gas, refrigerants, chilled water, crude oil, or low-pressure steam. The present thermal-insulation systems are layer composites based partly on the older class of thermal-insulation systems denoted generally as multilayer insulation (MLI). A typical MLI structure includes an evacuated jacket, within which many layers of radiation shields are stacked or wrapped close together. Low-thermal-conductivity spacers are typically placed between the reflection layers to keep them from touching. MLI can work very well when a high vacuum level (less than 10(exp-4) torr) is maintained and utmost care is taken during installation, but its thermal performance deteriorates sharply as the pressure in the evacuated space rises into the soft vacuum range [pressures greater than 0.1 torr (greater than 13 Pa)]. In addition, the thermal performance of MLI is extremely sensitive to mechanical compression and edge effects and can easily decrease from one to two orders of magnitude from its ideal value even when the MLI is kept under high vacuum condition. The present thermal-insulation systems are designed to perform well under soft vacuum level, in particular the range of 1 to 10 torr. They are also designed with larger interlayer spacings to reduce vulnerability to compression (and consequent heat leak) caused by installation and use. The superiority of these systems is the synergistic effect of improvements in materials, design, and manufacture.

Fesmire, James E.↗

Polymerization of alanine in the presence of a non-swelling montmorillonite

Alanine, starting from alanine-adenylate, has been polymerized in the presence of non-swelling Al-montmorillonite. The yield of polymerization is much lower than that obtained in the presence of swelling Na-montmorillonite. The possibility that the changing interlayer spacing in Na-montmorillonite might be responsible for its catalytic properties, is discussed.

Paecht-Horowitz, M.↗

Transmission electron microscopy of the 'LOW-CA' hydrated interplanetary dust particle

Transmission electron microscopy of a hydrated interplanetary dust particle indicates that it consists largely of a poorly crystalline phyllosilicate containing Fe, Mg and Al with an interlayer spacing of 10 to 12 A and so is distinct from the major phyllosilicate in CI and CM carbonaceous chondrites. The silicate is probably an Fe- and Mg-rich smectite or mica. Submicron, spherical to euhedral pyrrhotite and pentlandite are prominent. Unusual, low-Ni pentlandite is also common and typically occurs as rectangular platelets. Unlike many chondritic interplanetary dust particles, olivine is rare and pyroxene was not observed. Other less abundant phases are magnetite, chromite, and an unidentified phase containing Fe, Mg, Si, Ca, and Mn. This particle differs from a hydrated micrometeorite described previously by Brownlee (1978), indicating there are mineralogically different subsets of hydrated interplanetary dust particles. Despite gross similarities in mineralogy between the particle and the carbonaceous chondrites, they show appreciable differences in detail.

Tomeoka, K.↗

Poorly graphitized carbon as a new cosmothermometer for primitive extraterrestrial materials

A description is presented for the most common carbon phase in carbon-rich chondritic porous (CP) aggregate collected from the stratosphere by NASA researchers as part of the Cosmic Dust Program. An extraterrestrial origin was confirmed for the samples by microscopic examinations. The sample grains contained 45 percent carbon-rich phases and 30 percent low-temperature phases. Studies of the d002 interlayer spacing of the carbon clumps indicated that graphitization occurred at metamorphic temperatures after solar nebular condensation, yet early in solar system formation. Graphitized terrestrial materials served as a useful reference against which the CP materials were compared.

Rietmeijer, F. J. M.↗

Energetics and structural properties of twist grain boundaries in Cu

Structural and energetics properties of atoms near a grain boundary are of great importance from theoretical and experimental standpoints. From various experimental work it is concluded that diffusion at low temperatures at polycrystalline materials take place near grain boundary. Experimental and theoretical results also indicate changes of up to 70 percent in physical properties near a grain boundary. The Embedded Atom Method (EAM) calculations on structural properties of Au twist grain boundaries are in quite good agreement with their experimental counterparts. The EAM is believed to predict reliable values for the single vacancy formation energy as well as migration energy. However, it is not clear whether the EAM functions which are fitted to the bulk properties of a perfect crystalline solid can produce reliable results on grain boundaries. One of the objectives of this work is to construct the EAM functions for Cu and use them in conjunction with the molecular static simulation to study structures and energetics of atoms near twist grain boundaries in Cu. This provides tests of the EAM functions near a grain boundary. In particular, we determine structure, single vacancy formation energy, migration energy, single vacancy activation energy, and interlayer spacing as a function of distance from grain boundary. Our results are compared with the available experimental and theoretical results from grain boundaries and bulk.

Karimi, Majid↗

Terrestrial bitumen analogue of orgueil organic material demonstrates high sensitivity to usual HF-HCl treatment

The relationship between the chemical composition and the interlayer spacing (d002) of organic materials (OM's) is known for various terrestrial OM's. We improved this general trend by correlation with corresponding trend of natural solid bitumens (asphaltite-kerite-anthraxolite) up to graphite. Using the improved trend we identified bitumen analogs of carbonaceous chondrite OM's residued after HF-HCl treatment. Our laboratory experiment revealed that these analogs and, hence, structure and chemical composition of carbonaceous chondrite OM's are very sensitive to the HF-HCl treatment. So, usual extraction of OM from carbonaceous chondrites may change significantly structural and chemical composition of extracted OM.

Korochantsev, A. V.↗

Diagenetic Mineralogy at Gale Crater, Mars

Three years into exploration of sediments in Gale crater on Mars, the Mars Science Laboratory rover Curiosity has provided data on several modes and episodes of diagenetic mineral formation. Curiosity determines mineralogy principally by X-ray diffraction (XRD), but with supporting data from thermal-release profiles of volatiles, bulk chemistry, passive spectroscopy, and laser-induced breakdown spectra of targeted spots. Mudstones at Yellowknife Bay, within the landing ellipse, contain approximately 20% phyllosilicate that we interpret as authigenic smectite formed by basalt weathering in relatively dilute water, with associated formation of authigenic magnetite as in experiments by Tosca and Hurowitz [Goldschmidt 2014]. Varied interlayer spacing of the smectite, collapsed at approximately 10 A or expanded at approximately 13.2 A, is evidence of localized diagenesis that may include partial intercalation of metal-hydroxyl groups in the approximately 13.2 A material. Subsequent sampling of stratigraphically higher Windjana sandstone revealed sediment with multiple sources, possible concentration of detrital magnetite, and minimal abundance of diagenetic minerals. Most recent sampling has been of lower strata at Mount Sharp, where diagenesis is widespread and varied. Here XRD shows that hematite first becomes abundant and products of diagenesis include jarosite and cristobalite. In addition, bulk chemistry identifies Mg-sulfate concretions that may be amorphous or crystalline. Throughout Curiosity's traverse, later diagenetic fractures (and rarer nodules) of mm to dm scale are common and surprisingly constant and simple in Ca-sulfate composition. Other sulfates (Mg,Fe) appear to be absent in this later diagenetic cycle, and circumneutral solutions are indicated. Equally surprising is the rarity of gypsum and common occurrence of bassanite and anhydrite. Bassanite, rare on Earth, plays a major role at this location on Mars. Dehydration of gypsum to bassanite in the dry atmosphere of Mars has been proposed but considered unlikely based on lab studies of dehydration kinetics in powdered samples. Dehydration is even less likely for bulk vein samples, as lab data show dehydration rates one to two orders of magnitude slower in bulk samples than in powders. On Mars, exposure ages of 100 Ma or more may be a significant factor in dehydration of hydrous phases.

Vaniman, David↗

Energy of Cohesion, Compressibility, and the Potential Energy Functions of the Graphite System

The lattice summations of the potential energy of importance in the graphite system have been computed by direct summation assuming a Lennard‐Jones 6–12 potential between carbon atoms. From these summations, potential energy curves were constructed for interactions between a carbon atom and a graphite monolayer, between a carbon atom and a graphite surface, between a graphite monolayer and a semi‐infinite graphite crystal and between two graphite semi‐infinite crystals. Using these curves, the equilibrium distance between two isolated physically interacting carbon atoms was found to be 2.70 a, where a is the carbon‐carbon distance in a graphite sheet. The distance between a surface plane and the rest of the crystal was found to be 1.7% greater than the interlayer spacing. Theoretical values of the energy of cohesion and the compressibility were calculated from the potential curve for the interaction between two semi‐infinite crystals. They were ΔE c = —330 ergs/cm 2 and β = 3.18×10 —12 cm 2 /dyne, respectively. These compared favorably with the experimental values of ΔE c = —260 ergs/cm 2 and β = 2.97×10 —2 cm 2 /dyne.

L A Girifalco↗

Performing Mineral Hydration Experiments in the CheMin Diffractometer on Mars

Laboratory work is the cornerstone of experimental planetary geochemistry, mineralogy, and petrology, but much is to be gained by "experiments" while on a planet surface. Earth-bound experiments are often limited in ability to control multiple conditions relevant to planetary bodies (e.g. cycles in temperature and vapor pressure of water), but observations on-planet provide a unique opportunity where conditions are native to the planet and those affected by sampling and analysis can be constrained. The CheMin XRD instrument on Mars Science Laboratory has been able to test mineral hydration in samples held for up to 300 Mars days (sols). Clay minerals sampled at Yellowknife Bay early in the mission had both collapsed (10 Å) and expanded (13.2 Å) basal spacing. Collapsed interlayers were expected, but larger spacing was not; it was uncertain whether larger basal spacing would collapse on prolonged exposure to warmer conditions inside CheMin. Observation over several hundred sols showed no collapse, with the conclusion that expanded interlayer spacing was due to partial intercalation by metal-hydroxyl groups that resist dehydration. More recently, a sample of the Murray Formation, Oudam, provided the first XRD detection of gypsum and a chance to observe gypsum stability. Laboratory work suggests gypsum should be stable at Mars surface conditions, and indeed gypsum has been observed from orbit at higher latitudes and in thick veins at Yellowknife Bay by Mastcam reflectance spectra. Laboratory experiments have shown that on dehydration the gypsum would not become X-ray amorphous but would rather transform to a water-deficient bassanite structure. Over a period of 37 sols, it was observed that the Oudam sample in CheMin transformed from an assemblage of gypsum+anhydrite, to gypsum+bassanite+anhydrite, and finally to bassanite+anhydrite. Mg-sulfates were also anticipated but have not been observed in CheMin despite chemical evidence for their presence. Unlike gypsum, hydrated Mg-sulfates can transition to an X-ray amorphous form. Crystalline Mg-sulfates are expected higher in the section on Mount Sharp, where it should be possible to determine whether they persist or are destabilized after sampling, providing further insight into hydrous mineral stability at Mars near-equatorial conditions.

Vaniman, D. T.↗

Evidence for Partially Chloritized Smectite in Gale Crater, Mars, and Implications for Diagenesis

Phyllosilicates are an important mineral group found in ancient (~3.5-4.1 Gyr old) martian terrains because they are a marker of water-rock interactions and can help constrain aqueous conditions (e.g., pH, salinity, temperature) and, thus, identify habitable environments. Orbital visible/short-wave infrared (VSWIR) data demonstrate that smectite is the most abundant type of phyllosilicate on Mars, followed by chlorite [e.g., 1]. The geologic settings in which phyllosilicates are found provide important clues into their formation. Smectite has been identified in abundances of up to ~30 wt.% in early Hesperian-aged fluvial-lacustrine sedimentary rocks in Gale crater using the CheMin X-ray diffractometer on the Mars Science Laboratory Curiosity rover [e.g., 2-6]. CheMin XRD patterns and evolved water measured by the Sample Analysis at Mars (SAM) instrument suite show the structure of smectite changes from trioctahedral Fe(II)-bearing smectite at the base of the section to dioctahedral nontronite and montmorillonite ~400 m up section in the Glen Torridon valley where orbital VSWIR show evidence of Fe/Mg smectite. Most of the smectite identified by CheMin is collapsed (i.e., lacking substantial interlayer H2O) based on basal spacings at 10 Å. Fe(II) saponite found in two drill targets at the base of the section in Yellowknife Bay, however, suggest the smectite is expanded. The XRD pattern of the “Cumberland” drill target has a peak at 13.5 Å, whereas the “John Klein” drill target has a peak at 10 Å and a shoulder extending to higher d-spacings (Fig. 1) [2]. A possible explanation for this expanded structure is partial chloritization of the interlayer site caused by the precipitation of small domains of brucite-like sheets [e.g., 7,8]. Here, we synthesize smectite with different degrees of chloritization and analyze the products via XRD, evolved gas analysis (EGA), and VSWIR to determine whether chloritized smectite on Mars can be recognized with these techniques.

E B Rampe↗

Application of an alkylammonium method for characterization of phyllosilicates in CI chondrites

Many meteorites and interplanetary dust particles (IDP's) with primitive compositions contain significant amounts of phyllosilicates, which are generally interpreted as evidence of protoplanetary aqueous alteration at an early period in the solar system. These meteorites are chondrites of the carbonaceous and ordinary varieties. Characterization of phyllosilicates in these materials is important because of the important physico-chemical information they hold, e.g., from well characterized phyllosilicates, thermodynamic stability relations and hence the conditions of formation of phyllosilicates in the parent body of the meteorite can be predicted. Although we are at a rudimentary level of understanding of the minerals resulting from the aqueous alteration in the early solar nebula, we know that the most common phyllosilicates present in chondritic extraterrestrial materials are serpentines, smectites, chlorites, and micas. The characterization of fine grained minerals in meteorites and IDP's rely heavily on electron beam instruments, especially transmission electron microscopy (TEM). Typically, phyllosilicates are identified by a combination of high resolution imaging of basal spacings, electron diffraction analysis, and chemical analysis. Smectites can be difficult to differentiate from micas because the smectites loose their interlayer water and the interlayers collapse to the same basal spacing as mica in the high vacuum of the TEM. In high-resolution TEM (HRTEM) images, smectite basal spacings vary from 1 nm up to 1.5 nm, while micas show 1 or 2 nm basal spacings. Not only is it difficult to differentiate smectites from micas, but there is no way of identifying different classes of smectites in meteorites and IDP's. To differentiate smectites from micas and also to recognize the charge differences among smectites, an alkylammonium method can be employed because the basal spacings of alkylammonium saturated smectites expand as a function of alkylamine chain length and the layer-charge density of the 2:1 expanding phyllosilicate, and the final product is significantly more stable under electron beam examination. Such a method was tested on standard clays and several meteorite samples using four alkylammonium salts.

Golden, D. C.↗

Progress toward thin-film GaAs solar cells using a single-crystal Si substrate with a Ge interlayer

Development of a technology for fabricating light-weight, high-efficiency, radiation-resistant solar cells for space applications is reported. The approaches currently adopted are to fabricate shallow homojunction n(+)/p as well as p/n AlGaAs-heteroface GaAs solar cells by organometallic chemical vapor deposition (OM-CVD) on single-crystal Si substrates using in each case, a thin Ge epi-interlayer first grown by CVD. This approach maintains the advantages of the low specific gravity of Si as well as the high efficiency and radiation-resistant properties of the GaAs solar cell which can lead to greatly improved specific power for a solar array. The growth of single-crystal GaAs epilayers on Ge epi-interlayers on Si substrates is investigated. Related solar cell fabrication is reviewed.

Yeh, Y. C. M.↗

The First X-ray Diffraction Patterns of Clay Minerals from Gale Crater

The Mars Science Laboratory (MSL) Rover, Curiosity spent approx 150 sols at Yellowknife Bay (YKB) studying a section of fluvio-lacustrine sedimentary rocks (with potential indications of volcanic influence), informally known as the Yellowknife Bay formation. YKB lies in a distal region of the Peace Vallis alluvial fan, which extends from the northern rim of Gale Crater toward the dune field at the base of Mt Sharp. Sedimentological and stratigraphic observations are consistent with the Yellowknife Bay formation being part of a distal fan deposit, which could be as young as middle Hesperian to even early Amazonian in age (approx 3.5 to 2.5 Ga). The Yellowknife Bay formation hosts a unit of mudstone called the Sheepbed member. Curiosity obtained powdered rock samples from two drill holes in the Sheepbed Member, named John Klein and Cumberland, and delivered them to instruments in Curiosity. Data from CheMin, a combined X-ray diffraction (XRD)/X-ray fluorescence instrument (XRF), has allowed detailed mineralogical analysis of mudstone powders revealing a clay mineral component of approx 20 wt.% in each sample. The clay minerals are important indicators of paleoenvironmental conditions and sensitive recorders of post-depositional alteration processes. The XRD pattern of John Klein reveals a 021 band consistent with a trioctahedral phyllosilicate. A broad peak at approx 10A with a slight inflexion at approx 12A indicates the presence of 2:1 type clay minerals in the John Klein sample. The trioctahedral nature of the clay minerals, breadth of the basal reflection, and presence of a minor component with larger basal spacing suggests that John Klein contains a trioctahedral smectite (probably saponite), whose interlayer is largely collapsed because of the low-humidity conditions. The XRD patterns show no evidence of corrensite (mixed-layer chlorite/smectite) or chlorite, which are typical diagenetic products of trioctahedral smectites when subjected to burial and heating >60degC in the presence of water. Given estimated geothermal gradients on Mars temperatures <60 degC might still be consistent with (but do not require) moderate burial. However, our ability to identify interstratified minerals is greatly limited by the lack of access to traditional treatments methods used in the lab (e.g., ethylene glycol solvation). Our preferred explanation for the origin of trioctahedral smectites in Sheepbed mudstone is in situ production via reaction of olivine, water and Si-bearing amorphous material, an important mudstone component detected by XRD. Elevated levels of magnetite in the Sheepbed and the trioctahedral monomineralic nature of the clay minerals support this model. These observations, combined with previous studies of olivine stability, support the persistence of circum-neutral hydrous conditions for thousands of years at YKB.

Bristow, Thomas↗

Paleoenvironmental Implications of Clay Minerals at Yellowknife Bay, Gale Crater, Mars

The Mars Science Laboratory (MSL) Rover, Curiosity spent approx 150 sols at Yellowknife Bay (YKB) studying a section of fluvio-lacustrine sedimentary rocks (with potential indications of volcanic influence), informally known as the Yellowknife Bay formation. YKB lies in a distal region of the Peace Vallis alluvial fan, which extends from the northern rim of Gale Crater toward the dune field at the base of Mt Sharp. Sedimentological and stratigraphic observations are consistent with the Yellowknife Bay formation being part of a distal fan deposit, which could be as young as middle Hesperian to even early Amazonian in age (approx. 3.5 to 2.5 Ga). The Yellowknife Bay formation hosts a unit of mudstone called the Sheepbed member. Curiosity obtained powdered rock samples from two drill holes in the Sheepbed Member, named John Klein and Cumberland, and delivered them to instruments in Curiosity. Data from CheMin, a combined X-ray diffraction (XRD)/X-ray fluorescence instrument (XRF), has allowed detailed mineralogical analysis of mudstone powders revealing a clay mineral component of approx. 20 wt.% in each sample. The clay minerals are important indicators of paleoenvironmental conditions and sensitive recorders of post-depositional alteration processes. The XRD pattern of John Klein reveals a 02l band consistent with a trioctahedral phyllosilicate. A broad peak at approx. 10A with a slight inflexion at approx. 12A indicates the presence of 2:1 type clay minerals in the John Klein sample. The trioctahedral nature of the clay minerals, breadth of the basal reflection, and presence of a minor component with larger basal spacing suggests that John Klein contains a trioctahedral smectite (probably saponite), whose interlayer is largely collapsed because of the low-humidity conditions. The XRD patterns show no evidence of corrensite (mixed-layer chlorite/smectite) or chlorite, which are typical diagenetic products of trioctahedral smectites when subjected to burial and heating >60 C in the presence of water. Given estimated geothermal gradients on Mars temperatures <60 C might still be consistent with (but do not require) moderate burial. However, our ability to identify interstratified minerals is greatly limited by the lack of access to traditional treatments methods used in the lab (e.g., ethylene glycol solvation). Our preferred explanation for the origin of trioctahedral smectites in Sheepbed mudstone is in situ production via reaction of olivine, water and Si-bearing amorphous material, an important mudstone component detected by XRD. Elevated levels of magnetite in the Sheepbed and the trioctahedral monomineralic nature of the clay minerals support this model. These observations, combined with previous studies of olivine stability, support the persistence of circum-neutral hydrous conditions for thousands of years at YKB.

MSL↗

High efficiency epitaxial GaAs/GaAs and GaAs/Ge solar cell technology using OM/CVD

A technology for fabricating high efficiency, thin film GaAs solar cells on substrates appropriate for space and/or terrestrial applications was developed. The approach adopted utilizes organometallic chemical vapor deposition (OM-CVD) to form a GaAs layer epitaxially on a suitably prepared Ge epi-interlayer deposited on a substrate, especially a light weight silicon substrate which can lead to a 300 watt per kilogram array technology for space. The proposed cell structure is described. The GaAs epilayer growth on single crystal GaAs and Ge wafer substrates were investigated.

Wang, K. L.↗

Clay minerals in primitive meteorites and interplanetary dust 2. Smectites and micas

The classification is briefly summarized of stony meteorites and cosmic dust, and the mineralogy and chemistry is described of serpentine group minerals. The occurrence of smectites and micas in extraterrestrial materials is examined. The characterization of fine grained minerals in meteorites and IDPs relies heavily on electron beam instruments, especially the transmission electron microscope (TEM). Typically, phyllosilicates are identified by a combination of high resolution imaging of basal spacings, electron diffraction, and chemical analysis. Smectites can be difficult to differentiate from micas because the smectites lose their interlayer water and the interlayer partly collapse in the high vacuum of the TEM.

Keller, L. P.↗