Pressure-induced phase transition and phonon softening in h-Lu0.6Sc0.4FeO3
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99 GENERAL AND MISCELLANEOUS↗
Engineering topics
Smith, K. A.
Publications and source records attributed to Smith, K. A..
Revealing pressure-driven structural transitions in the hybrid improper ferroelectric Sr 3 Sn 2 O 7
In this work, we combine diamond anvil cell techniques and synchrotron-based infrared spectroscopy with a detailed symmetry analysis and lattice dynamics calculations to uncover a series of pressure induced structural phase transitions in the hybrid improper ferroelectric Sr 3 Sn 2 O 7 . The microscopic character of each high pressure phase is determined by comparing the measured spectrum with the predicted vibrational patterns of several related but distinct candidate space groups. Our analysis reveals a sequence of compression-induced transitions from A2 1 am ↔ Pnab ↔ Acaa ↔ I4/mmm at room temperature. Remarkably, this space group progression matches the sequence of temperature-dependent structural transitions observed in Sr 3 Sn 2 O 7 between 77 and 1000 K. Other hybrid improper ferroelectrics display a similar set of transitions, suggesting that pressure and probably strain will be very effective tuning parameters for this entire class of materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Symmetry crossover in layered MPS 3 complexes (M=Mn, Fe, Ni) via near-field infrared spectroscopy
In this paper, we employ synchrotron-based near-field infrared spectroscopy to reveal the vibrational properties of bulk, few-sheet, and single-sheet members of the MPS 3 (M=Mn, Fe, Ni) family of materials and compare our findings with complementary lattice dynamics calculations. MnPS 3 and the Fe analog are similar in terms of their symmetry crossovers, from C2/ m to P $\bar{3}$1 m , as the monolayer is approached. These states differ as to the presence of a C 3 rotation around the metal center. On the other hand, NiPS 3 does not show a symmetry crossover, and the lack of a B u symmetry mode near 450 cm -1 suggests that C 3 rotational symmetry is already present, even in the bulk material. We discuss these findings in terms of local symmetry and temperature effects as well as the curious relationship between these symmetry transformations and those that take place under pressure.
36 MATERIALS SCIENCE↗
Infrared nano-spectroscopy of ferroelastic domain walls in hybrid improper ferroelectric Ca 3 Ti 2 O 7
Ferroic materials are well known to exhibit heterogeneity in the form of domain walls. Understanding the properties of these boundaries is crucial for controlling functionality with external stimuli and for realizing their potential for ultra-low power memory and logic devices as well as novel computing architectures. In this work, we employ synchrotron-based near-field infrared nano-spectroscopy to reveal the vibrational properties of ferroelastic (90° ferroelectric) domain walls in the hybrid improper ferroelectric Ca 3 Ti 2 O 7 . By locally mapping the Ti-O stretching and Ti-O-Ti bending modes, we reveal how structural order parameters rotate across a wall. Thus, we link observed near-field amplitude changes to underlying structural modulations and test ferroelectric switching models against real space measurements of local structure. This initiative opens the door to broadband infrared nano-imaging of heterogeneity in ferroics.
36 MATERIALS SCIENCE↗
Space Qualification of the Optical Filter Assemblies for the ICESat-2/ATLAS Instrument
The Advanced Topographic Laser Altimeter System (ATLAS) will be the only instrument on the Ice, Cloud, and Land Elevation Satellite -2 (ICESat-2). ICESat-2 is the 2nd-generation of the orbiting laser altimeter ICESat, which will continue polar ice topography measurements with improved precision laser-ranging techniques. In contrast to the original ICESat design, ICESat-2 will use a micro-pulse, multi-beam approach that provides dense cross-track sampling to help scientists determine a surface's slope with each pass of the satellite. The ATLAS laser will emit visible, green laser pulses at a wavelength of 532 nm and a rate of 10 kHz and will be split into 6 beams. A set of six identical, thermally tuned optical filter assemblies (OFA) will be used to remove background solar radiation from the collected signal while transmitting the laser light to the detectors. A seventh assembly will be used to monitor the laser center wavelength during the mission. In this paper, we present the design and optical performance measurements of the ATLAS OFA in air and in vacuum prior to their integration on the ATLAS instrument.
Etalons↗
Solid State Multinuclear Magnetic Resonance Investigation of Electrolyte Decomposition Products on Lithium Ion Electrodes
Solid electrolyte interphase (SEI) formation in lithium ion cells prepared with advanced electrolytes is investigated by solid state multinuclear (7Li, 19F, 31P) magnetic resonance (NMR) measurements of electrode materials harvested from cycled cells subjected to an accelerated aging protocol. The electrolyte composition is varied to include the addition of fluorinated carbonates and triphenyl phosphate (TPP, a flame retardant). In addition to species associated with LiPF6 decomposition, cathode NMR spectra are characterized by the presence of compounds originating from the TPP additive. Substantial amounts of LiF are observed in the anodes as well as compounds originating from the fluorinated carbonates.
Li-ion battery electrolytes↗
Performance Demonstration of Mcmb-LiNiCoO2 Cells Containing Electrolytes Designed for Wide Operating Temperature Range
With the intent of improving the performance of Li-ion cells over a wide operating temperature range, we have investigated the use of co-solvents to improve the properties of electrolyte formulations. In the current study, we have focused upon evaluating promising electrolytes which have been incorporated into large capacity (7 Ah) prototype Li-ion cells, fabricated by Yardney Technical Products, Inc. The electrolytes selected for performance evaluation include the use of a number of esters as co-solvents, including methyl propionate (MP), ethyl propionate (EP), ethyl butyrate (EB), propyl butyrate (PB), and 2,2,2-trifluoroethyl butyrate (TFEB). The performance of the prototype cells containing the ester-based electrolytes was compared with an extensive data base generated on cells containing previously developed all carbonate-based electrolytes. A number of performance tests were performed, including determining (i) the discharge rate capacity over a wide range of temperatures, (ii) the charge characteristics, (iii) the cycle life characteristics under various conditions, and (iv) the impedance characteristics.
Smart, M. C.↗
Experimental and theoretical studies of the He(2+)-He system - Differential cross sections for direct, single-, and double-charge-transfer scattering at keV energies
Measurements and calculations of differential cross sections for direct scattering, single-charge transfer, and double-charge transfer in collisions of 1.5-, 2.0-, 6.0-, and 10.0-keV (He-3)2+ with an He-4 target are reported. The measurements cover laboratory scattering angles below 1.5 deg with an angular resolution of about 0.03 deg. A quantum-mechanical molecular-state representation is employed in the calculations; in the case of single-charge transfer a two-state close-coupling calculation is carried out taking into account electron-translation effects. The theoretical calculations agree well with the experimental results for direct scattering and double-charge transfer. The present calculation identifies the origins of oscillatory structures observed in the differential cross sections.
Gao, R. S.↗
Collisions between H(+) and H2 at kilo-electron-volt energies - Absolute differential cross sections for small-angle direct, single-, and double-charge-transfer scattering
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Gao, R. S.↗
Absolute differential cross sections for electron capture and loss by kilo-electron-volt hydrogen atoms
This paper reports measurements of absolute differential cross sections for electron capture and loss for fast hydrogen atoms incident on H2, N2, O2, Ar, and He. Cross sections have been determined in the 2.0- to 5.0-keV energy range over the laboratory angular range 0.02-2 deg, with an angular, resolution of 0.02 deg. The high angular resolution allows observation of the structure at small angles in some of the cross sections. Comparison of the present results with those of other authors generally shows very good agreement.
Smith, G. J.↗
Differential cross sections for scattering of 0.5-, 1.5-, and 5.0 keV oxygen atoms by He, N2, and O2
This paper reports measurements of absolute scattering cross sections, differential in angle, for collisions of ground-state oxygen atoms with He, N2, and O2. Data are presented for scattering of 0.5-, 1.5-, and 5.0-keV oxygen-atom projectiles in the range of laboratory frame angles between 0.06 and 5 deg. These measurements provide information relevant to calculations of the aeronomic consequences of O(+) precipitation in the earth's upper atmosphere.
Schafer, D. A.↗
Differential cross sections for scattering of 0.5-, 1.5-, and 5.0-keV hydrogen atoms by He, H2, N2, and O2
This paper reports measurements of absolute cross sections, differential in angle, for scattering of 0.5-, 1.5-, and 5.0-keV hydrogen atoms by He, H2, N2, and O2 at laboratory scattering angles between 0.1 and 5 deg. The measured cross sections are the sums of those for elastic and inelastic collisions having a fast H atom product and are needed for calculating energy transfer to the upper atmosphere from precipitating ring current particles.
Newman, J. H.↗
Differential scattering cross sections for collisions of 0.5-, 1.5-, and 5.0-keV helium atoms with He, H2, N2, and O2
This paper reports the first results of an experimental program established to provide cross section data for use in modeling various atmospheric processes. Absolute cross sections, differential in the scattering angle, have been measured for collisions of 0.5-, 1.5-, and 5.0-keV helium atoms with He, H2, N2, and O2 at laboratory scattering angles between 0.1 deg and 5 deg. The results are the sums of cross sections for elastic and inelastic scattering of helium atoms; charged collision products are not detected. Integration of the differential cross section data yields integral cross sections consistent with measurements by other workers. The apparatus employs a position-sensitive detector for both primary and scattered particles and uses a short target cell with a large exit aperture to ensure a simple and well-defined apparatus geometry.
Newman, J. H.↗
Absolute and angular efficiencies of a microchannel-plate position-sensitive detector
This paper presents a characterization of a commercially available position-sensitive detector of energetic ions and neutrals. The detector consists of two microchannel plates followed by a resistive position-encoding anode. The work includes measurement of absolute efficiencies of H(+), He(+), and O(+) ions in the energy range between 250 and 5000 eV, measurement of relative detection efficiencies as a function of particle impact angle, and a simple method for accurate measurement of the time at which a particle strikes the detector.
Gao, R. S.↗
Training Simulator for Fire Management
Users manipulate resources in practicing fire-control strategy. Users manipulate resource information displayed on two separate monitors, as computer-generated messages and computer-controlled fire scenes.
Smith, K. A.↗
Integrated verification and testing system (IVTS) for HAL/S programs
The IVTS is a large software system designed to support user-controlled verification analysis and testing activities for programs written in the HAL/S language. The system is composed of a user interface and user command language, analysis tools and an organized data base of host system files. The analysis tools are of four major types: (1) static analysis, (2) symbolic execution, (3) dynamic analysis (testing), and (4) documentation enhancement. The IVTS requires a split HAL/S compiler, divided at the natural separation point between the parser/lexical analyzer phase and the target machine code generator phase. The IVTS uses the internal program form (HALMAT) between these two phases as primary input for the analysis tools. The dynamic analysis component requires some way to 'execute' the object HAL/S program. The execution medium may be an interpretive simulation or an actual host or target machine.
Senn, E. H.↗
Single and multiple ionization of sulfur atoms by electron impact
In 1979 significant concentrations of singly and multiply charged sulfur ions were observed in the Io torus. Attempts to model these observations revealed a need for new fundamental cross section data. In response, laboratory measurements of the cross-sections for single, double, triple and quadruple ionization of sulfur atoms by electron impact are presented for collision energies from threshold to 500 eV.
Ziegler, D. L.↗