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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Attosecond Time-Domain Measurement of Core-Level-Exciton Decay in Magnesium Oxide

Excitation of ionic solids with extreme ultraviolet pulses creates localized core-level excitons, which in some cases couple strongly to the lattice. In this paper, core-level-exciton states of magnesium oxide are studied in the time domain at the Mg L 2 , 3 edge with attosecond transient reflectivity spectroscopy. Attosecond pulses trigger the excitation of these short-lived quasiparticles, whose decay is perturbed by time-delayed near-infrared pulses. Combined with a few-state theoretical model, this reveals that the infrared pulse shifts the energy of bright (dipole-allowed) core-level-exciton states as well as induces features arising from dark core-level excitons. We report coherence lifetimes for the two lowest core-level excitons of 2.3 ± 0.2 and 1.6 ± 0.5 fs and show that these are primarily a consequence of strong exciton-phonon coupling, disclosing the drastic influence of structural effects in this ultrafast relaxation process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Anharmonic Origin of the Giant Thermal Expansion of NaBr

ll phonons in a single crystal of NaBr are measured by inelastic neutron scattering at temperatures of 10, 300, and 700 K. Even at 300 K, the phonons, especially the longitudinal-optical phonons, show large shifts in frequencies and show large broadenings in energy owing to anharmonicity. Ab initio computations are first performed with the quasiharmonic approximation (QHA) in which the phonon frequencies depend only on V and on T only insofar as it alters V by thermal expansion. This QHA is an unqualified failure for predicting the temperature dependence of phonon frequencies, even 300 K, and the thermal expansion is in error by a factor of 4. Ab initio computations that include both anharmonicity and quasiharmonicity successfully predict both the temperature dependence of phonons and the large thermal expansion of NaBr. The frequencies of longitudinal-optical phonon modes decrease significantly with temperature owing to the real part of the phonon self-energy from explicit anharmonicity originating from the cubic anharmonicity of nearest-neighbor NaBr bonds. Anharmonicity is not a correction to the QHA predictions of thermal expansion and thermal phonon shifts but dominates the behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Large Polarons as Key Quasiparticles in SrTiO 3 and SrTiO 3 -Based Heterostructures

Despite its simple structure and low degree of electronic correlation, SrTiO 3 (STO) features collective phenomena linked to charge transport and, ultimately, superconductivity, that are not yet fully explained. Thus, a better insight into the nature of the quasiparticles shaping the electronic and conduction properties of STO is needed. We studied the low-energy excitations of bulk STO and of the LaAlO 3 / SrTiO 3 two-dimensional electron gas (2DEG) by Ti L 3 edge resonant inelastic x-ray scattering. In all samples, we find the hallmark of polarons in the form of intense d d + phonon excitations, and a decrease of the LO3-mode electron-phonon coupling when going from insulating to highly conducting STO single crystals and heterostructures. Overall, both results are attributed to the dynamic screening of the large polaron self-induced polarization, showing that the low-temperature physics of STO and STO-based 2DEGs is dominated by large polaron quasiparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Anharmonicity and Phase Diagram of Magnesium Oxide in the Megabar Regime

With density functional molecular dynamics simulations, we computed the phase diagram of MgO from 50 to 2000 GPa up to 20000 K. Via thermodynamic integration (TDI), we derive the Gibbs free energies of the B1, B2, and liquid phases and determine their phase boundaries. With TDI and a pseudo-quasi-harmonic approach, we show that anharmonic effects are important and stabilize the B1 phase in particular. As a result, the B1-B2 transition boundary in the pressure-temperature plane exhibits a steep slope. We predict the B1-B2-liquid triple point to occur at approximately T= 10000 K and P = 370 GPa, which is higher in pressure than was inferred with quasi-harmonic methods alone. We predict the principal shock Hugoniot curve to enter the B2 phase stability domain but only over a very small range of parameters. Here, this may render it difficult to observe this phase with shock experiments because of kinetic effects.

3-dimensional systems↗
DOE OSTI2021

Realizing Kagome Band Structure in Two-Dimensional Kagome Surface States of RV 6 Sn 6 (R = Gd, Ho)

Here, we report angle resolved photoemission experiments on a newly discovered family of kagome metals RV 6 Sn 6 (R = Gd, Ho). Intrinsic bulk states and surface states of the vanadium kagome layer are differentiated from those of other atomic sublattices by the real-space resolution of the measurements with a small beam spot. Characteristic Dirac cone, saddle point, and flat bands of the kagome lattice are observed. Our results establish the two-dimensional (2D) kagome surface states as a new platform to investigate the intrinsic kagome physics.

2-dimensional systems↗
DOE OSTI2022

Electron Density Changes across the Pressure-Induced Iron Spin Transition

High-pressure single-crystal x-ray diffraction is used to experimentally map the electron-density distribution changes in (Fe,Mg)O as ferrous iron undergoes a pressure-induced transition from high- to low-spin states. As the bulk density and elasticity of magnesiowustite—one of the dominant mineral phases of Earth’s mantle—are affected by this electronic transition, our results have applications to geophysics as well as to validating first-principles calculations. Furthermore, the observed changes in diffraction intensities indicate a spin-transition-induced change in orbital occupancies of the Fe ion in general accord with crystal-field theory, illustrating the use of electron density measurements for characterizing high-pressure d-block chemistry and motivating further studies characterizing chemical bonding under pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Transition between Heavy-Fermion-Strange-Metal and Quantum Spin Liquid in a $4⁢d$-Electron Trimer Lattice

We present experimental evidence that a heavy Fermi surface consisting of itinerant, charge-neutral spinons underpins both heavy-fermion-strange-metal (without f electrons) and quantum-spin-liquid states in the 4d-electron trimer lattice, Ba 4 Nb 1-x Ru 3+x O 12 (|x| < 0.20). These two exotic states both exhibit an extraordinarily large entropy, a linear heat capacity extending into the milli-Kelvin regime, a linear thermal conductivity at low temperatures, and separation of charges and spins. Furthermore, the insulating spin liquid is a much better thermal conductor than the heavy-fermion-strange-metal that separately is observed to strongly violate the Wiedemann- Franz law. Here, we propose that at the heart of this 4d system is a universal, heavy spinon Fermi surface that provides a unified framework for explaining the exotic phenomena observed throughout the entire series. The control of such exotic ground states provided by variable Nb concentration offers a new paradigm for studies of correlated quantum matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Differences in the resistive and thermodynamic properties of the single crystalline chiral superconductor candidate SrPtAs

The locally noncentrosymmetric superconductor SrPtAs is proposed to host a topological chiral d-wave state, but experimental reports have been limited to polycrystalline samples. Here we report the synthesis of single crystalline SrPtAs grown from Pb flux. SrPtAs crystallizes in the hexagonal space group P⁢6 3 /mmc with lattice parameters a=4.2445⁢(4) Å and c=8.9513⁢(18) Å. Additionally, magnetic susceptibility and electrical resistivity measurements reveal a superconducting transition at T c ~2.2 K, in agreement with previous reports on polycrystalline samples. Surprisingly, heat capacity data show only a small bulk transition at 0.7 K. We discuss the possible origins of the discrepancy between the various measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetic anisotropy in single-crystalline antiferromagnetic Mn 2 Au

Multiple recent studies have identified the metallic antiferromagnet Mn 2 ⁢Au to be a candidate for spintronic applications due to apparent in-plane anisotropy, preserved magnetic properties above room temperature, and current-induced Néel vector switching. Crystal growth is complicated by the fact that Mn 2 ⁢Au melts incongruently. We present a bismuth flux method to grow millimeter-scale bulk single crystals of Mn 2 ⁢Au in order to examine the intrinsic anisotropic electrical and magnetic properties. Flux quenching experiments reveal that the Mn 2 ⁢Au crystals precipitate below 550°⁢C, about 100⁢°⁢C below the decomposition temperature of Mn 2 ⁢Au. Bulk Mn 2 ⁢Au crystals have a room-temperature resistivity of 16–19 µ⁢Ωcm and a residual resistivity ratio of 41. Mn 2 ⁢Au crystals have a dimensionless susceptibility on the order of 10 –4 (SI units), comparable to calculated and experimental reports on powder samples. Single-crystal neutron diffraction confirms the in-plane magnetic structure. The tetragonal symmetry of Mn 2 ⁢Au constrains the ab-plane magnetic susceptibility to be constant, meaning that χ 100 =χ 110 in the low-field limit, below any spin-flop transition. We find that three measured magnetic susceptibilities χ 100 , χ 110 , and χ 001 are the same order of magnitude and agree with the calculated prediction, meaning the low-field susceptibility of Mn 2 ⁢Au is quite isotropic, despite clear differences in ab-plane and ac-plane magnetocrystalline anisotropy. Mn 2 ⁢Au is calculated to have an extremely high in-plane spin-flop field above 30 T, which is much larger than that of another in-plane antiferromagnet, Fe 2 ⁢As (less than 1 T). Finally, the subtle anisotropy of intrinsic susceptibilities may lead to dominating effects from shape, crystalline texture, strain, and defects in devices that attempt spin readout in Mn 2⁢ Au.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Technology Maturation of Wireless Harsh Environment Sensors For Improved Condition Based Monitoring Of Coal Fired Power Generation

The overall goal of this project was to demonstrate and develop the usage of high-temperature (HT) harsh-environment (HE) wireless surface acoustic wave resonator (SAWR) sensor technology to promote reliable maintenance through condition-based maintenance (CBM) for field applications in harsh service conditions associated with power plant environments. The project aimed to advance the HT HE wireless SAWR sensor technology from TRL 5 to TRL 7. In addition to HT HE wireless temperature sensing, efforts were dedicated during this project to investigate, develop and increase the TRL from 3 to 5 for the following technologies: (a) HT HE strain sensors to address additional CBM monitoring needs, such as boiler tube mechanical / thermal stresses, which can provide early indications for boiler tube cracking and failure; and (b) HT aluminum nitride (AlN) and scandium aluminum nitride (ScAlN) based piezoelectric thin film fabrication and implementation of SAW sensors, with the goal of releasing the need to use single crystal piezoelectric materials for SAWRs and thus broaden possible technology applications to non-planar and harder to modify surfaces. To achieve the goals mentioned above, UMaine and its partner, Environetix Technologies Corporation, established partnerships with the following power plants: Longview Power (Maidsville, WV), a coal-fired power plant; Penobscot Energy Recovery Corp (PERC, Orrington, ME), a waste-to-energy power plant; and the UMaine Steam Plant (Orono, ME), an oil / natural gas power plant. To realize wireless HT HE SAWR sensor systems in these harsh service conditions, the University of Maine research team worked with Environetix and these power plants to define, design, fabricate, test and validate a mature prototype wireless temperature SAWR sensor system for boiler tube applications within the HT HE of the reheater pass damper chamber to directly and wirelessly monitor the temperature at eighteen independent boiler tube locations. The system included three levels, or “tiers”, of wireless communication to enable remote monitoring: Tier 1, the wireless link in the reheater pass damper chamber directly accessing the sensors on the boilers; Tier 2, the wireless local area network link, transmitting processed sensor information within the power plant to the Tier 3, a commercial wireless signal carrier company for secure remote data monitoring outside of the power plant. Regarding the wireless sensor system installed at Longview Power, temperature information from the boilers was continuously transmitted from the Longview boilers at Maidsville, WV, to Environetix headquarters, Orono, ME, over a 34 month period, when the system was finally decommissioned. Strain sensors and piezoelectric ScAlN thin film sensors were successfully installed on the exhaust duct at the UMaine Steam Power plant. The advances in wireless strain sensors and thin film piezoelectric film fabrication and testing were performed mostly in UMaine laboratories and field tested at the UMaine Steam Plant, due to its close proximity to UMaine/Environetix, access to the plant facility, and due to difficulties in accessing the other power plants during the COVID shut-down period. The project accomplished the TRL level increase of the targeted CBM technologies through the successful fabrication, installation, test, and validation of dedicated and commercial wireless sensor systems, utilizing the three different power plants. The outcomes of this project, including the wireless sensor data capability, are expected to yield an advance for CBM in harsh power plant environments. The reduction of maintenance costs, improved safety during plant operation, and increased power plant efficiency will lead to increased revenues (i.e., fewer forced outages) due to better process monitoring enabled by the wireless HT HE SAWR temperature sensor technology.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Laser-heated Pedestal Growth and Raman DTS for Harsh-environment Applications

Fibers composed of single crystal (SC) materials are mechanically, thermally, and chemically robust to harsh conditions, and thus attractive for sensing applications in harsh environments. However, SC fibers grown via the laser-heated pedestal growth (LHPG) technique do not intrinsically have a functional cladding layer. We investigate self-segregation of dopants in a crystal matrix within a SC fiber. Ti and Cr dopants within a sapphire matrix were grown via the LHPG method. Cross-sectional dopant concentrations were measured via electron-probe micro-analysis (EPMA). The cross-sectional constituent profiles and resulting transmissivities were characterized as a function of growth parameters.

Lander, Gary↗
NASA NTRS1974

Energy-conversion research and development with diminiodes

Diminiodes are variable-gap cesium diodes with plane emitters and guarded collectors a few millimeters in diameter. This miniaturization allows the electrodes to be made of little pieces of rare materials like single crystals of unusual metals or metallides. In addition to smallness, diminiode advantages include simplicity, precision, fabrication ease, parts interchangeability, cleanliness, full instrumentation, ruggedness, and economy. The diminiode design also stresses effective, economical use with computers that control, collect, and correlate thermionic current and voltage data. Such diminiode tests completed recently for ultrapure metal electrodes produced relatively low, sharply defined ultimate power outputs.

Morris, J. F.↗
NASA NTRS1975

Manufacturing in space and materials sciences on Skylab

Two main groups of manufacturing and materials studies were performed during the Skylab missions. The first group of experiments studied processes which are important in orbital assembly and construction, including melting, solidification, brazing, welding, and cutting. The second group concerned the manufacture of specific materials, including metallic alloys, single crystals, doped semiconductors, composite materials, and multicomponent superconductors. The present paper discusses several specific experiments conducted on Skylab. In general, the processes tested produced materials of higher quality in space than they would have on earth. The experiments prove that the elimination of gravitational forces has a decisive effect on a number of materials processes.

Stuhlinger, E.↗
NASA NTRS1978

Continuous Czochralski growth: Silicon sheet growth development of the large area silicon sheet task of the Low Cost Silicon Solar Array project

The primary objective of this contract is to develop equipment and methods for the economic production of single crystal ingot material by the continuous Czochralski (CZ) process. Continuous CZ is defined for the purpose of this work as the growth of at least 100 kilograms of ingot from only one melt container. During the reporting period (October, 1977 - September, 1978), a modified grower was made fully functional and several recharge runs were performed. The largest run lasted 44 hours and over 42 kg of ingot was produced. Little, if any, degradation in efficiency was observed as a result of pulling multiple crystals from one crucible. Solar efficiencies observed were between 9.3 and 10.4% AMO (13.0 and 14.6% AMI) compared to 10.5% (14.7% AMI) for optimum CZ material control samples. Using the SAMICS/IPEG format, economic analysis of continuous CZ suggests that 1986 DoE cost goals can only be met by the growth of large diameter, large mass crystals.

Source record↗