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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 181 records · Page 10

Role of the third dimension in searching for Majorana fermions in α-RuCl 3 via phonons

Understanding phonons in α-RuCl 3 is critical to analyze the controversy around the observation of the half-integer thermal quantum Hall effect. While many studies have focused on the magnetic excitations in α-RuCl 3 , its vibrational excitation spectrum has remained relatively unexplored. We investigate the phonon structure of α-RuCl 3 via inelastic neutron-scattering experiments and density-functional-theory calculations. Our results show excellent agreement between experiment and first-principles calculations. After validating our theoretical model, we extrapolate the low-energy phonon properties. We find that the phonons in α-RuCl 3 that either propagate or vibrate in the out-of-plane direction have significantly reduced velocities and therefore have the potential to dominate the observability of the elusive half-integer plateaus in the thermal Hall conductance. In addition, we use low-energy interlayer phonons to resolve the low-temperature stacking structure of our large crystal of α-RuCl 3 , which we find to be consistent with that of the R$\bar{3}$ space group, in agreement with neutron diffraction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Immersive visualization for materials science data analysis using the Oculus Rift

In this paper, we propose strategies and objectives for immersive data visualization with applications in materials science using the Oculus Rift virtual reality headset. We provide background on currently available analysis tools for neutron scattering data and other large-scale materials science projects. In the context of the current challenges facing scientists, we discuss immersive virtual reality visualization as a potentially powerful solution. We introduce a prototype immersive visualization system, developed in conjunction with materials scientists at the Spallation Neutron Source, which we have used to explore large crystal structures and neutron scattering data. Finally, we offer our perspective on the greatest challenges that must be addressed to build effective and intuitive virtual reality analysis tools that will be useful for scientists in a wide range of fields.

Drouhard, Margaret↗

Gamma-ray Spectra from a 3x3 CsPbBr 3 Array

CsPbBr 3 is a promising semiconductor material for X- and γ-ray detection at room temperature due to a wide bandgap of 2.3eV, high stopping power, and relatively high mobility-lifetime products of electrons and holes, and the capability of growing large crystals. In this paper we report on fabrication and testing of a 3.8 mm thick, 3 X 3 array with 1.2 mm pitch. Raw 137 Cs spectra were acquired with applied bias of 400 V, 500 V, and 600 V. Energy resolution of between 2 and 3 % FWHM at 662 keV was obtained from most pixels without any correction at room temperature. After 15 days under continuous bias at 600 V, no polarization effects were observed.

36 MATERIALS SCIENCE↗

3D Nanocrystallography and the Imperfect Molecular Lattice

Crystallographic analysis relies on the scattering of quanta from arrays of atoms that populate a repeating lattice. While large crystals built of lattices that appear ideal are sought after by crystallographers, imperfections are the norm for molecular crystals. Additionally, advanced X-ray and electron diffraction techniques, used for crystallography, have opened the possibility of interrogating micro- and nanoscale crystals, with edges only millions or even thousands of molecules long. These crystals exist in a size regime that approximates the lower bounds for traditional models of crystal nonuniformity and imperfection. Accordingly, data generated by diffraction from both X-rays and electrons show increased complexity and are more challenging to conventionally model. New approaches in serial crystallography and spatially resolved electron diffraction mapping are changing this paradigm by better accounting for variability within and between crystals. The intersection of these methods presents an opportunity for a more comprehensive understanding of the structure and properties of nanocrystalline materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Characterization of the Martinsburg Formation using Computed Tomography and Geophysical Logging Techniques

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the National Energy Technology Laboratory (NETL) Morgantown site were used to characterize 9 different core sections of Upper Ordovician black shale from the Eastern Panhandle of West Virginia. The samples are representative of the upper Ordovician Martinsburg Formation, a Utica Shale equivalent, which is a carbonaceous black shale in the Appalachian Basin. The primary impetus of this work was to develop a standardized methodology for the rapid and detailed characterization of chemical composition, physical characteristics, and internal micro structure of lithologic samples with the NETL core characterization equipment. Having a standardized methodology combining these innovative techniques allows large, rapidly produced data sets to be available for multiple researchers and allows collaborative studies. The resultant data sets are presented as part of this report as well and can be accessed from NETL's Energy Data eXchange (EDX) online system (https://edx.netl.doe.gov) using the following link: https://edx.netl.doe.gov/dataset/martinsburg-formation-ct-data. All equipment and techniques used were non-destructive, enabling future examinations to be performed on these cores with the additional information gathered through these tests. None of the equipment used was suitable for direct visualization of the shale pore space, though fractures and discontinuities were visible and detectable with all methods tested. High resolution CT imagery with the NETL industrial CT scanner was a powerful and insightful way to examine the details of fractures, discontinuities, minerals, and large crystals within the shale, but was time consuming both in image capture and analysis. As such, only a small percentage of the core was scanned at high resolution. Low resolution CT imagery with the NETL medical CT scanner was performed on the entire core. Qualitative analysis of the medical CT images, coupled with the measurements from the multi-sensor core logger (including x-ray fluorescence, XRF, measurements) were very useful in identifying zones of interest for more detailed analysis and fractured zones. The ability to quickly identify key areas for more detailed study with higher resolution will save time and resources in future studies. The combination of all methods used provided a multi-scale analysis of this core and provided both a macro and micro description of the core that is relevant for many subsurface energy related examinations of core that have traditionally been performed at NETL.

47 OTHER INSTRUMENTATION↗

Crystallization of ApoA1 and ApoE4 Nanolipoprotein Particles and Initial XFEL-Based Structural Studies

Nanolipoprotein particles (NLPs), also called “nanodiscs”, are discoidal particles with a patch of lipid bilayer corralled by apolipoproteins. NLPs have long been of interest due to both their utility as membrane-model systems into which membrane proteins can be inserted and solubilized and their physiological role in lipid and cholesterol transport via high-density lipoprotein (HDL) and low-density lipoprotein (LDL) maturation, which are important for human health. Serial femtosecond crystallography (SFX) at X-ray free electron lasers (XFELs) is a powerful approach for structural biology of membrane proteins, which are traditionally difficult to crystallize as large single crystals capable of producing high-quality diffraction suitable for structure determination. To facilitate understanding of the specific role of two apolipoprotein/lipid complexes, ApoA1 and ApoE4, in lipid binding and HDL/LDL particle maturation dynamics, and to develop new SFX methods involving NLP membrane protein encapsulation, we have prepared and crystallized homogeneous populations of ApoA1 and ApoE4 NLPs. Crystallization of empty NLPs yields semi-ordered objects that appear crystalline and give highly anisotropic and diffuse X-ray diffraction, similar to fiber diffraction. Several unit cell parameters were approximately determined for both NLPs from these measurements. Thus, low-background, sample conservative methods of delivery are critical. Here we implemented a fixed target sample delivery scheme utilizing the Roadrunner fast-scanning system and ultra-thin polymer/graphene support films, providing a low-volume, low-background approach to membrane protein SFX. This study represents initial steps in obtaining structural information for ApoA1 and ApoE4 NLPs and developing this system as a supporting scaffold for future structural studies of membrane proteins crystalized in a native lipid environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Measurement of Radiation Exposure of Astronauts by Radiochemical Techniques

The principal gamma-ray-omitting radioisotopes produced in the body of astronauts by cosmic-ray bombardment which have half-lives long enough to be useful for radiation dose evaluation are Be-7, Na-22, and Na-24. The sodium isotopes were measured in the preflight and postflight urine and feces, and those feces specimens collected during the manned Apollo missions, by analysis of the urine salts and the raw feces in large crystal multidimensional gamma-ray spectrometers. The Be-7 was chemically separated, and its concentration measured in an all Na(T1), anticoincidence shielded, scintillation well crystal. The overall sensitivity of the experiment was reduced by almost all variables such as low concentrations of excreted cosmogenic radionuclides, high concentrations of injected radionuclides, low sample sizes, long delay periods before analysis, and uncertain excretion rates. The astronaut radiation dose in millirads, as determined by this technique, for the Apollo 7, 8, 9, 10, 11, 12, and 13 missions was 330, 160, 315, 870 ? 550, 31, 110, and 250 respectively. In view of these limitations this technique would be best applied to cases of unusually high exposures, such as that encountered from solar flares.

R L Brodzinski↗

The measurement of radiation exposure of astronauts by radiochemical techniques

The principal gamma-ray emitting radioisotopes, produced in the body of astronauts by cosmic-ray bombardment, which have half-lives long enough to be useful for radiation dose evaluation, are Be-7, Na-22, and Na-24. The sodium isotopes were measured in the preflight and postflight urine and feces, and those feces specimens collected during the manned Apollo missions, by analysis of the urine salts and the raw feces in large crystal multidimensional gamma-ray spectrometers. The Be-7 was chemically separated, and its concentration measured in an all NaI (TL), anticoincidence shielded, scintillation well crystal. The astronaut radiation dose in millirads, as determined for the Apollo 7, 8, 9, 10, 11, 12, and 13 missions, was 330, 160, smaller than 315, 870 plus or minus 550, 31, 110, and smaller than 250, respectively.

Brodzinski, R. L.↗

Alkali oxide-tantalum oxide and alkali oxide-niobium oxide ionic conductors

A search was made for new cationic conducting phases in alkali-tantalate and niobate systems. The phase equilibrium diagrams were constructed for the six binary systems Nb2O5-LiNbO3, Nb2O5-NaNbO3, Nb2O5-KNbO3, Ta2O5-NaTaO3, Ta2O5-LiTaO3, and Ta2O5-KTaO3. Various other binary and ternary systems were also examined. Pellets of nineteen phases were evaluated (by the sponsoring agency) by dielectric loss measurements. Attempts were made to grow large crystals of eight different phases. The system Ta2O5-KTaO3 contains at least three phases which showed peaks in dielectric loss vs. temperature. All three contain structures related to the tungsten bronzes with alkali ions in non-stoichiometric crystallographic positions.

Roth, R. S.↗

Search for monenergetic gamma rays from psi /3684/ decay

Results are reported of a search for monoenergetic gamma rays with energies above 50 MeV arising from psi (3684) decay. The measurements were made by operating an electron-positron storage ring at a center-of-mass energy of 3684 MeV and detecting the secondary gamma rays with large-crystal NaI(T1) spectrometers. No significant evidence is found for the emission of such radiation, and upper limits are placed on such emissions for energies above 50 MeV.

Simpson, J. W.↗

A microstructural study of the Tishomingo meteorite

Metallography, electron microscopy, and X-ray diffraction techniques were employed to study a fragment of the Tishomingo iron meteorite. The results suggest the following thermal-mechanical history: The fragment was originally a large crystal of taenite (gamma). Cooling through the alpha + gamma phase boundary did not result in accompanying precipitation of kamacite (alpha). Transformation to a martensitic structure initiated between -25 and -65 C. Transformation continued as the temperature fell to -75 to -115 C, resulting in approx 80% martensite (alpha-prime). Subsequent shock deformation and thermal aging processes substantially modified the taenite and martensite microstructures. Twins in the retained taenite phase are attributed to shock deformation at a pressure estimated for a single event at about 170 kbar. The existing complex altered martensite structure containing both taenite and kamacite (3-15% Ni) particles was apparently the product of both shock deformation and thermal aging processes. The maximum temperature reached during thermal aging is estimated to be less than 400 C and perhaps below 310 C.

Ives, L. K.↗

Space processing of electronic materials

The bulk growth of solid solution alloys of mercury telluride and cadmium telluride is discussed. These alloys are usually described by the formula Hg1-xCdxTe, and are useful for the construction of infrared detectors. The electronic energy band gap can be controlled between zero and 1.6 electron volts by adjusting the composition x. The most useful materials are at x approximately 20%, suitable for detection wavelengths of about 10 micrometers. The problems of growing large crystals are rooted in the wide phase diagram of the HgTe-CdTe pseudobinary system which leads to exaggerate segregation in freezing, constitutional supercooling, and other difficulties, and in the high vapor pressure of mercury at the growth temperatures, which leads to loss of stoichiometry and to the necessity of working in strong, pressure resistant sealed containers.

Holland, L. R.↗

Studies of convection in a solidifying binary mixture at reduced gravity

A great deal of interest was generated recently in the possibility of producing new materials in the reduced gravity environment provided during the forthcoming missions of Spacelab. The range of possibilities extend from producing large crystals of uniform properties to manufacturing materials with unique properties. Most of these processes involve the solidification of materials from the liquid state. Convective motions within the liquid during solidification can influence the local material composite and the shape of the solid-liquid interface which may result in solids with non-uniform properties and crystal defects. The microgravity environment of Spacelab is being viewed as one in which the buoyancy forces are eliminated so that convection driven by thermal gradients does occur, resulting in an improved solidification process. However, convection may occur for other reasons and whether convection is negligible or not during solidification constitutes processing in low-gravity environment. Little information exists presently on convection during solidification under such circumstances. A continuation of an analytical investigation into the nature of convective motion in a binary liquid layer due to surface tension forces during its solidification is reported. The onset of convection will be determined through a stability analysis which is described.

Antar, B. N.↗

Characterization of physiochemical properties of polymeric and electrochemical materials for aerospace flight

Nickel-cadmium rechargeable batteries are a vital and reliable energy storage source for aerospace applications. As the demand for longer life and more reliable space batteries increases, the understanding and solving of cell aging factors and mechanisms become essential. Over the years, many cell designs and manufacturing process changes have been developed and implemented. Cells fabricated with various design features were life cycled in a simulated low-Earth orbit regime. Following the test program, a comprehensive electrochemical analysis of cell components was undertaken to study cell degradation mechanisms. Discharge voltage degradation or voltage plateau has been observed during orbit cycling, but, its cause and explanation have been the subject of much discussion. A Hg/HgO reference electrode was used to monitor the reference versus each electrode potential during the discharge of a cycled cell. The results indicate that the negative electrode was responsible for the voltage plateau. Cell analysis revealed large crystals of cadmium hydroxide on the surface of the negative electrode and throughout the separator.

Rock, M.↗

A comparison of electronic heterodyne moire deflectometry and electronic heterodyne holographic interferometry for flow measurements

Electronic heterodyne moire deflectometry and electronic heterodyne holographic interferometry are compared as methods for the accurate measurement of refractive index and density change distributions of phase objects. Experimental results are presented to show that the two methods have comparable accuracy for measuring the first derivative of the interferometric fringe shift. The phase object for the measurements is a large crystal of KD*P, whose refractive index distribution can be changed accurately and repeatably for the comparison. Although the refractive index change causes only about one interferometric fringe shift over the entire crystal, the derivative shows considerable detail for the comparison. As electronic phase measurement methods, both methods are very accurate and are intrinsically compatible with computer controlled readout and data processing. Heterodyne moire is relatively inexpensive and has high variable sensitivity. Heterodyne holographic interferometry is better developed, and can be used with poor quality optical access to the experiment.

Decker, A. J.↗

Mapping of carbon concentrations in the Allende meteorite with the C-12(d,p)C-13 method

Carbon concentrations in a 4.2 x 4.2 mm area of the Allende meteorite were mapped with the C-12(d,p)C-13 nuclear method. The x,y resolution perpendicular to the deuteron beam was 65 microns; the depth resolution was 0.6 micron. The matrix of the meteorite contains about 1 wt pct carbon, which is uniformly distributed at the 65-micron level of resolution. The matrix contains most, perhaps close to all, C of this meteorite. The coarse-grained constituents, such as chondrules, show a very strong enhancement of C in the depth range 2 to about 0 micron; the matrix does not show this enhancement. The enhancement may be due to contamination of the coarse-grained areas or else to migration of C in solid solution from the interiors of comparatively large crystals to their freshly polished surfaces.

Van Der Stap, C. A. H.↗

A comparison of electronic heterodyne moire deflectometry and electronic heterodyne holographic interferometry for flow measurements

Electronic heterodyne moire deflectometry and electronic heterodyne holographic interferometry are compared as methods for the accurate measurement of refractive index and density change distributions of phase objects. Experimental results are presented to show that the two methods have comparable accuracy for measuring the first derivative of the interferometric fringe shift. The phase object for the measurements is a large crystal of KD P, whose refractive index distribution can be changed accurately and repeatably for the comparison. Although the refractive index change causes only about one interferometric fringe shift over the entire crystal, the derivative shows considerable detail for the comparison. As electronic phase measurement methods, both methods are very accurate and are intrinsically compatible with computer controlled readout and data processing. Heterodyne moire is relatively inexpensive and has high variable sensitivity. Heterodyne holographic interferometry is better developed, and can be used with poor quality optical access to the experiment.

Decker, A. J.↗

Classification of mafic clasts from mesosiderites - Implications for endogenous igneous processes

Results are presented from an analysis of 13 igneous pebbles from the Vaca Muerta, EET87500, and Bondoc mesosiderites, using electron microprobe and instrumental neutron activation techniques. These data, combined with literature data on compositions of 43 mesosiderite clasts were used to compile a classification scheme for the various types of mafic silicate clasts that occur in mesosiderites. These clasts were classified into five principal groups: (1) polygenic and monogenic cumulates (30 percent); (2) polygenic basalts (30 percent); (3) quench-textured rocks, comprising two compositional subgroups (those which resemble basaltic eucrites (5 percent), and those which resemble cumulate eucrites (2 percent)); (4) monogenic basalts (11 percent); and (5) ultramafic rocks, consisting mainly of large crystals of orthopyroxene (9 percent) or olivine (4 percent). The conditions under which these clasts were formed are discussed.

Rubin, Alan E.↗