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At least 325 records · Page 18

Atomistic insight into the ferroelastic post-stishovite transition by high-pressure single-crystal X-ray diffraction

Abstract The post-stishovite transition is a classic pseudo-proper typed ferroelastic transition with a symmetry-breaking spontaneous strain. This transition has been studied using high-pressure spontaneous strains, optic modes, and elastic moduli (Cij) based on the Landau modeling, but its atomistic information and structural distortion remain poorly understood. Here we have conducted synchrotron single-crystal X-ray diffraction measurements on stishovite crystals up to 75.3 GPa in a diamond-anvil cell. Analysis of the data reveals atomic positions, bond lengths, bond angles, and variations of SiO6 octahedra across the transition at high pressure. Our results show that the O coordinates split at ~51.4 GPa, where the apical and equatorial Si-O bond lengths cross over, the SiO6 octahedral distortion vanishes, and the SiO6 octahedra start to rotate about the c axis. Moreover, distortion mode analysis shows that an in-plane stretching distortion (GM1+ mode) occurs in the stishovite structure at high pressure while a rotational distortion (GM2+ mode) becomes dominant in the post-stishovite structure. These results are used to correlate with elastic moduli and Landau parameters (symmetry-breaking strain e1–e2 and order parameter Q) to provide atomistic insight into the ferroelastic transition. When the bond lengths of two Si-O bonds are equal due to the contribution from the GM1+ stretching mode, C11 converges with C12, and the shear wave VS1[110] polarizing along [110] and propagating along [110] vanishes. Values of e1–e2 and Q are proportional to the SiO6 rotation angle from the occurrence of the GM1+ rotational mode in the post-stishovite structure. Our results on the pseudo-proper type transition are also compared with that for the proper type in albite and improper type in CaSiO3 perovskite. The symmetry-breaking strain, in all these types of transitions, arises as the primary effect from the structural angle (such as SiO6 rotation or lattice constant angle) and its relevant distortion mode in the low-symmetry ferroelastic phase.

Geochemistry & Geophysics↗

Preliminary look at CARS spectra from atomic oxygen

Contains fundamental spectroscopic results regarding atomic oxygen. Data represent basic science contributions and are not associated with an application or defense article.

Kearney, Sean Patrick [Sandia National Laboratorie↗

Microstructure, electrical resistivity, and tensile properties of neutron-irradiated Cu–Cr–Nb–Zr

High strength, high conductivity copper alloys that can resist creep at high temperatures are one of the primary candidates for efficient heat exchangers in fusion reactors. Cu–Cr–Nb–Zr (CCNZ) alloys, which were designed to improve the strength and creep life of ITER Cu–Cr–Zr (CCZ) reference alloys, have been found to have comparable electrical conductivity and tensile properties to CCZ alloys. The measured creep rupture times for these improved alloys is about ten times higher than the ITER reference alloys at 90–125 MPa at 500 °C. However, the effects of neutron irradiation on these alloys, and the ensuing material properties, have not been studied; thus, their utility in a fusion reactor environment is not well understood. This study characterizes the room temperature mechanical and electrical properties of a neutron-irradiated CCNZ alloy and compares them to a neutron-irradiated ITER reference heat sink CCZ alloy. Tensile specimens were neutron irradiated in the High Flux Isotope Reactor (HFIR) to 5 dpa between 250 °C and 325 °C. Post-irradiation characterization included electrical resistivity measurements, hardness, and tensile tests. Microstructural evaluation used scanning electron microscopy, energy dispersive x-ray spectroscopy, and atom probe tomography to characterize the irradiation-produced changes in the microstructure and investigate the mechanistic processes leading to post-irradiation properties. Transmutation calculations were validated with composition measurements from atom probe data and used to calculate contributions to the increased electrical resistivity measured after irradiation. Comparisons with CCZ alloys in the same irradiation heat found that the post-irradiated CCNZ and CCZ alloys had comparable electrical resistivity. Although CCNZ alloys suffered more irradiation hardening than CCZ, the overall tensile behavior deviated very little from non-irradiated values in the temperature range studied.

36 MATERIALS SCIENCE↗

Ceramic research

X-ray diffraction micrography data on atomic structure of magnesium oxide grain boundaries

X-RAY ANALYSIS↗

The interstellar line spectra of zeta Ophiuchi and zeta Persei and their relation to the short wavelength microwave background radiation

Thirty-one high dispersion Coude spectrograms of zeta Ophiuchi and seven of zeta Persei were numerically synthesized to produce high resolution, low noise spectra in the interval 3650 A to 4350 that yield data on atomic and molecular absorption in well-defined regions of the interstellar medium. The detection threshold is improved by as much as a factor 5 over single plates. Several interstellar lines were discovered in the zeta Oph - 15km/sec cloud and the zeta Per + 13 km/sec cloud.

Bortolot, V. J., Jr.↗

Charge exchange in the Venus ionosphere as the source of the hot exospheric hydrogen

A global Monte Carlo model of the exosphere of Venus, simulating the normal exospheric processes, as well as the production of a 'hot' hydrogen component by charge exchange of H(+) with H and O, has been computed. The resulting altitude profiles of atomic hydrogen concentration over both the day and night hemispheres are in reasonable agreement with Mariner 5 and Mariner 10 observations of Lyman-alpha, showing that the ionospheric charge exchange reactions are a significant source of 'hot' hydrogen, possibly the dominant source. However, the uncertainties in the available atomic hydrogen data allow for production of a similar amount of nonthermal H by chemical processes involving H2 as suggested by Kumar and Hunten (1974).

Hodges, R. R., Jr.↗

Diagnostics of solar and astrophysical plasmas - Dependent on autoionization phenomena

The application of autoionization calculations to problems in solar and astrophysical plasma diagnostics is discussed. Attention is given to space plasmas having high spectral resolution, particularly in the wavelength region between about 300 and 1100 A. It is shown that atomic resonance data can be used to calculate many of the spectral line intensities in solar plasmas in order to obtain information concerning the physical properties of the emitting gas, including temperature, density, ionization balance, and atmospheric structure and dynamics. Recent spectral observations of nonsolar plasmas are also discussed. A list of the major high-resolution astrophysical plasma spectrometers and spectrographs is provided.

Doschek, G. A.↗

CNO abundances in novae ejecta

Isotope production, particularly CNO, which are enhanced in novae events and the interstellar medium (ISM) by novae are discussed in terms of emission-line data taken a few weeks after novae events. The emission-line abundances emerge only after the fading of absorption spectrum, and are also detectable in thin shells which sometimes, though rarely, form after novae. CNO abundances in these shells are equivalent to those observed in fading novae, with CNO/H ratios being 100 times solar values. Possible heavy element production pathways in the events and their shrinking are discussed, along with observation techniques for detecting CNO isotopes through absorption data on atomic transitions in novae ejecta and the ISM.

Williams, R. E.↗

Constraints on gravity wave induced diffusion in the middle atmosphere

A review of the important constraints on gravity wave induced diffusion of chemical tracers, heat and momentum is given. Ground-based microwave spectroscopy measurements of H2O and CO and rocket-based mass spectrometer measurements of Ar constrain the eddy diffusion coefficient for constituent transport (K sub zz) to be (1-3) x 10 to the 5th sq cm/sec in the upper mesosphere. Atomic oxygen data also limits K sub zz to a comparable value in the mesopause. From the energy balance of the upper mesosphere the eddy diffusion coefficient for heat transport (D sub H) is, at most, 6 x 10 to the 5th sq cm/sec at the mesopause and decreasing substantially with decreasing altitude. The available evidence for mean wind deceleration and the corresponding eddy diffusion coefficient for momentum stresses (D sub M) suggests that it is at least 1 x 10 to the 6th sq cm/sec in the upper mesosphere. Consequently the eddy Prandtl number for macroscopic scale lengths is greater than 3.

Strobel, Darrell F.↗

Spray drop size and velocity measurements using the Phase/Doppler Particle Analyzer

Detailed measurements of the drop size and velocity distributions were obtained for a swirl chamber pressure atomizer. These data were obtained with the Phase/Doppler Particle Analyzer manufactured by Aerometrics, Inc. Direct measurements of the size distributions revealed the evolving characteristics of the spray. Size velocity correlations were used to evaluate the effect of velocity relaxation on the size distributions. The simultaneous measurement of drop size and velocity was of major importance in accurately describing the changes in the local drop size distributions and mass flux.

Bachalo, W. D.↗

Constraints on gravity wave induced diffusion in the middle atmosphere

A review of the important constraints on gravity wave induced diffusion of chemical tracers, heat and momentum is given. Ground-based microwave spectroscopy measurements of H20 and CO and rocket-based mass spectrometer measurements of Ar constrain the eddy diffusion coefficient for constituent transport (K sub zz) to be (1-3) x 10 to the 5th sq cm/sec in the upper mesosphere. Atomic oxygen data also limits K sub zz to a comparable value in the mesopause. From the energy balance of the upper mesosphere the eddy diffusion coefficient for heat transport (D sub H) is at most, 6 x 10 to the 5th sq cm/sec at the mesopause and decreasing substantially with decreasing altitude. The available evidence for mean wind deceleration and the corresponding eddy diffusion coefficient for momentum stresses (D sub M) suggests that it is at least 1 x 10 to the 6th sq cm/sec in the upper mesosphere. Consequently the eddy Prandtl number for macroscopic scale lengths is greater than 3.

Strobel, Darrell F.↗

Soft X-ray spectrographs for solar observations

Recent advances in soft X-ray spectrometery are reviewed, with emphasis on techniques for studying the windowless region from roughly 1-100 A. Recent technological developments considered include multilayer mirrors, large-format CCD detectors which are sensitive to X-rays, position-sensitive photon counting detectors, new kinds of X-ray films, and optical systems based on gratings with nonuniform ruling spacings. Improvements in the extent and accuracy of the atomic physics data sets on which the analysis of spectroscopic observatons depend are also discussed.

Bruner, M. E.↗

Modeling the ultraviolet photospheric spectrum of cool giant stars. I - Arcturus. II - Gamma Crucis

The UV photospheric spectra of cool giants are modeled analytically to facilitate the identification of UV spectral features and aid in the measurement of actual chromospheric flux at different wavelengths. Atomic line data derived experimentally and semiempirically are used with LTE model atmospheres by means of the SYNTHE FORTRAN code to generate the synthetic spectra. Surface flux spectra are determined and fitted to the absorption features of observed IUE high resolution spectra, and the modeled results are compared to the observed spectra of the cool giants Arcturus and the cooler Gamma Crucis. It is shown that the synthetic spectra can be produced for the stars, and chromospheric emission lines are thought to account for significant discrepancies between observed and calculated values. Two new fluorescence mechanisms are identified by modeling the ultraviolet photospheric spectrum of Gamma Crucis.

Carpenter, Kenneth G.↗

Precise laser frequency scanning using frequency-synthesized optical frequency sidebands - Application to isotope shifts and hyperfine structure of mercury

Based on an efficient broadband electrooptic modulator producing RF optical sidebands locked to a stable cavity, a tunable dye laser can be scanned under computer control with frequency-synthesizer precision. Cavity drift is suppressed in software by using a strong feature in the spectrum for stabilization. Mercury isotope shifts are measured with a reproducibility of about 50 kHz. This accuracy of about 1/300 of the linewidth illustrates the power of the technique. Derived hyperfine-structure constants are compared with previous atomic-beam data.

Rayman, M. D.↗

Comparison of theory with atomic oxygen 130.4 nm radiation data from the Bow Shock ultraviolet 2 rocket flight

Comparison is made between the results obtained from a state-of-the-art flow and radiative model and bow shock vacuum ultraviolet (VUV) data obtained the recent Bow Shock 2 Flight Experiment. An extensive data set was obtained from onboard rocket measurements at a reentry speed of 5 km/sec between the altitudes of approximately 65-85 km. A description of the NO photoionization cell used, the data, and the interpretation of the data will be presented. The primary purpose of the analyses is to assess the utility of the data and to propose a radiation model appropriate to the flight conditions of Bow Shock 2. Theoretical predictions based on flow modeling discussed in earlier work and a new radiation model are compared with data.

Levin, Deborah A.↗

A localized excess of diffuse gamma radiation

Using archival Energetic Gamma Ray Experiment Telescope (EGRET) gamma-ray data and atomic hydrogen (H I) column densities derived from 21 cm radio observations, we have found a large irregular region in the northern Galactic hemisphere extending from (l approximately 90 deg, b approximately 52 deg) to (l approximately 45 deg, b approximately 77 deg) with a significant enhancement in the gamma-ray emissivity compared to the surrounding sky. The region contains no previously identified gamma-ray point sources. The emission may arise from a localized enhancement in cosmic-ray density or from the presence of matter other than H I. If the emission is due to unseen matter, a column density enhancement equivalent to approximately 2 x 10(exp 20) H-atoms/sq cm is required.

Chen, A.↗