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At least 1,495 records · Page 83

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DOE OSTI2026

Temperature as a control knob on spin-orbit coupling

Spin-orbit coupling (SOC) governs many physical phenomena. Through ab initio molecular dynamics simulations, Lu and Sun demonstrated that structural disorder at elevated temperatures substantially reduces the effective SOC contribution that stabilizes band inversion, driving a topological-to-normal-insulator transition in Bi2Se3. Their work identifies temperature as a meaningful control parameter for SOC-mediated topology and other properties.

Liang, Liangbo [ORNL] (ORCID:0000000311990049)↗

DOE OSTI2024

Shock compression experiments using the DiPOLE 100-X laser on the high energy density instrument at the European x-ray free electron laser: Quantitative structural analysis of liquid Sn

X-ray free electron laser (XFEL) sources coupled to high-power laser systems offer an avenue to study the structural dynamics of materials at extreme pressures and temperatures. The recent commissioning of the DiPOLE 100-X laser on the high energy density (HED) instrument at the European XFEL represents the state-of-the-art in combining x-ray diffraction with laser compression, allowing for compressed materials to be probed in unprecedented detail. Here, we report quantitative structural measurements of molten Sn compressed to 85(5) GPa and ~3500 K. The capabilities of the HED instrument enable liquid density measurements with an uncertainty of ~1% at conditions which are extremely challenging to reach via static compression methods. We discuss best practices for conducting liquid diffraction dynamic compression experiments and the necessary intensity corrections which allow for accurate quantitative analysis. We also provide a polyimide ablation pressure vs input laser energy for the DiPOLE 100-X drive laser which will serve future users of the HED instrument.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Al–W gradient density materials—Processing and dynamic ramp compression

Materials with high-density gradients are desired for controlling loading paths in dynamic compression, important for studying material properties in extreme conditions and inertial confinement fusion. The large density difference between Al and W makes them ideal choices for producing gradient density materials, but their extremely different melting temperatures make them challenging to fabricate simultaneously. We report a method for producing Al–W porosity-free materials with a fourfold increase in density (2.7–11 g/cm 3 ) across the composition range, from Al-rich to W-rich, without intermetallic phase formation. This was achieved by understanding the aluminum-dominated densification behavior and examining the influence of pressure and temperature on the densification of Al–W composites. Dynamic compression experiments conducted with the Al–W gradient density material produced shock ramp compressions as expected based on the designed composition, and the performed hydrodynamics simulations showed excellent agreement with experimental results. The results demonstrate that current activated pressure-assisted densification allows for the easy and rapid fabrication of gradient density materials with significant density gradients and tailored compositions, facilitating precise control of the loading paths. These materials have the potential to create customized pressure drives for advancing the fields of material science in extreme environments and dynamic compression.

Alloys↗

NASA NTRS1985

Detailed studies of aviation fuel flowability

Six Jet A fuels, with varying compositions, were tested for low temperature flowability in a 190-liter simulator tank that modeled a section of a wing tank of a wide-body commercial airplane. The insulated tank was chilled by circulating coolant through the upper and lower surfaces. Flow-ability was determined as a function of fuel temperature by holdup, the fraction of unflowable fuel remaining in the tank after otherwise complete withdrawal. In static tests with subfreezing tank conditions, hold up varied with temperature and fuel composition. However, a general correlation of two or three classes of fuel type was obtained by plotting holdup as a function of the difference between freezing point and boundary-layer temperature, measured 0.6 cm above the bottom tank surface. Dynamic conditions of vibrations and slosh or rate of fuel withdrawal had very minor effects on holdup. Tests with cooling schedules to represent extreme, cold-day flights showed, at most, slight holdup for any combination of fuel type or dynamic conditions. Tests that superimposed external fuel heating and recirculation during the cooldown period indicates reduced hold up by modification of the low-temperature boundary layer. Fuel heating was just as effective when initiated during the later times of the tests as when applied continuously.

Mehta, H. K.↗

NASA NTRS1977

The thermal balance of the atmosphere of Venus

Current knowledge of the temperature structure of the atmosphere of Venus is briefly summarized. The principal features to be explained are the high surface temperature, the small horizontal temperature contrasts near the cloud tops in the presence of strong apparent motions, and the low value of the exospheric temperature. In order to understand the role of radiative and dynamical processes in maintaining the thermal balance of the atmosphere, a great deal of additional data on the global temperature structure, solar and thermal radiation fields, structure and optical properties of the clouds, and circulation of the atmosphere are needed. The ability of the Pioneer Venus Orbiter and Multiprobe Missions to provide these data is indicated.

Tomasko, M. G.↗

NASA NTRS1990

Lateral temperature variations at the core-mantle boundary deduced from the magnetic field

Recent studies of the secular variation of the earth's magnetic field over periods of a few centuries have suggested that the pattern of fluid motion near the surface of earth's outer core may be strongly influenced by lateral temperature variations in the lowermost mantle. This paper introduces a self-consistent method for finding the temperature variations near the core surface by assuming that the dynamical balance there is geostrophic and that lateral density variations there are thermal in origin. As expected, the lateral temperature variations are very small. Some agreement is found between this pattern and the pattern of topography of the core-mantle boundary, but this does not conclusively answer to what extent core surface motions are controlled by the mantle, rather than being determined by processes in the core.

Bloxham, Jeremy↗

NASA NTRS2015

Advancing Test Capabilities at NASA Wind Tunnels

NASA maintains twelve major wind tunnels at three field centers capable of providing flows at 0.1 M 10 and unit Reynolds numbers up to 45106m. The maintenance and enhancement of these facilities is handled through a unified management structure under NASAs Aeronautics and Evaluation and Test Capability (AETC) project. The AETC facilities are; the 11x11 transonic and 9x7 supersonic wind tunnels at NASA Ames; the 10x10 and 8x6 supersonic wind tunnels, 9x15 low speed tunnel, Icing Research Tunnel, and Propulsion Simulator Laboratory, all at NASA Glenn; and the National Transonic Facility, Transonic Dynamics Tunnel, LAL aerothermodynamics laboratory, 8 High Temperature Tunnel, and 14x22 low speed tunnel, all at NASA Langley. This presentation describes the primary AETC facilities and their current capabilities, as well as improvements which are planned over the next five years. These improvements fall into three categories. The first are operations and maintenance improvements designed to increase the efficiency and reliability of the wind tunnels. These include new (possibly composite) fan blades at several facilities, new temperature control systems, and new and much more capable facility data systems. The second category of improvements are facility capability advancements. These include significant improvements to optical access in wind tunnel test sections at Ames, improvements to test section acoustics at Glenn and Langley, the development of a Supercooled Large Droplet capability for icing research, and the development of an icing capability for large engine testing. The final category of improvements consists of test technology enhancements which provide value across multiple facilities. These include projects to increase balance accuracy, provide NIST-traceable calibration characterization for wind tunnels, and to advance optical instruments for Computational Fluid Dynamics (CFD) validation. Taken as a whole, these individual projects provide significant enhancements to NASA capabilities in ground-based testing. They ensure that these wind tunnels will provide accurate and relevant experimental data for years to come, supporting both NASAs mission and the missions of our government and industry customers.

wind tunnel testing↗

NASA NTRS2004

Mars Environmental Chamber for Dynamic Dust Deposition and Statics Analysis

Recent observations of the 2001 dust storms encircling Mars confirm predictions of environmental challenges for exploration. Martian dust has been found to completely mantle the Martian surface over thousands of square kilometers and the opacity of airborne dust has been shown to be capable of modifying atmospheric temperature, radiative transfer and albedo. Planetary dust cycling dynamics are suggested to be a key factor in the evolution of the Martian surface. Long-term robotic and manned exploration of Mars will be confronted by dust deposition in periods of atmospheric calm and violent wind storms. Aeolian dust deposition recorded during the Mars Pathfinder mission was estimated to fall at rates of 20-45 microns per Earth year. Although many tools of exploration will be challenged by coating, adhesion, abrasion and possible chemical reaction of deposited, wind blown and actively disturbed Martian dust, solar cells are thought to be of primary concern. Recent modeling work of power output by gallium arsenide/germanium solar cells was validated by the Pathfinder Lander data and showed power output decreases of 0.1 to 0.5% per Martian day. A major determinant for the optimal positioning angle of solar panels employed in future missions is the angle of repose of the settling dust particles that is dependent on a variety of physical and chemical properties of the particles, the panel surface, and the environmental conditions on the Mars surface. While the effects of many of these factors are well understood qualitatively, quantitative analyses, especially under physical and chemical conditions prevailing on the Mars surface are lacking.

L.E. Moeller↗

NASA NTRS1986

Temperature dependent electronic quenching of OH(A 2 Sigma +, v-prime = 0) between 230 and 310 K

The present study is concerned with the electronic quenching of OH(A 2 Sigma +, v-prime = 0) at and below room temperature, taking into account the use of laser-induced fluorescence (LIF) in a low pressure flow cell for H2, CO2, O2, and N2 colliders. The reasons for the selection of the temperature range and the collision partners are related to the quantitative calibration of OH detection techniques in the troposphere, and to considerations of electronic quenching dynamics. Attention is given to production and rotational distribution, temperature measurements, and temperature dependent quenching rate constants.

Copeland, R. A.↗

DOE OSTI2021

Cooperativity and Metal–Linker Dynamics in Spin Crossover Framework Fe(1,2,3-triazolate) 2

Cooperative interactions are responsible for the useful properties of spin crossover (SCO) materials–large hysteresis windows, critical temperatures near room temperature, and abrupt transitions–with hybrid framework materials exhibiting the greatest cooperativity and hysteresis of all SCO systems. However, little is known about the chemical origin of cooperativity in frameworks. Here, we present a combined experimental–computational approach for identifying the origin of cooperativity in the metal–organic framework (MOF) Fe(1,2,3-triazolate) 2 (Fe(TA) 2 ), which exhibits the largest known hysteresis window of all SCO materials and unusually high transition temperatures, as a roadmap for understanding the manipulation of SCO behavior in general. Variable-temperature vibrational spectroscopy provides evidence that “soft modes” associated with dynamic metal–linker bonding trigger the cooperative SCO transition. Thermodynamic analysis also confirms a cooperativity magnitude much larger than those of other SCO systems, while electron density calculations of Fe(TA) 2 support previous theoretical predictions that large cooperativity arises in materials where SCO produces considerable differences in metal–ligand bond polarities between different spin states. Taken together, this combined experimental–computational study provides a microscopic basis for understanding cooperative magnetism and highlights the important role of dynamic bonding in the functional behavior of framework materials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Oxidation Dynamics of Supported Catalytic Cu Clusters: Coupling to Fluxionality

Copper oxide nanoclusters have a wide range of catalytic applications, such as the selective oxidation of hydrocarbons. O 2 binding to the catalyst, activation, and release upon reagent oxidation are key events in these catalytic chemistries. Furthermore, these events are expected to be accompanied by significant structural changes of the Cu clusters, because O atoms integrate into the cluster, rather than bind to its surface. Topping the complexity of the problem, partially oxidized Cu clusters are known to exhibit strong fluxionality and feature diverse and interconverting structures and oxygen contents in conditions of oxidative dehydrogenation (ODH). Hence, a significant dynamic coupling between the “hot” O 2 molecule impacting the cluster at reaction temperatures and the cluster fluxionality can be expected. In this work, we focus on the dynamics of dioxygen integration into a partially oxidized Cu cluster supported on hydroxylated amorphous alumina–a system recently reported to be an exceptionally selective catalyst for cyclohexane ODH with very little CO produced, whose mechanistic underpinnings are of utmost interest. The statistics over a swarm of adsorption and scattering trajectories where O 2 hits various sites on the cluster at reaction temperature shows that the O 2 binding does not only follow the minimal energy paths. O 2 also rarely integrates into the cluster in a single step and instead first binds to a single Cu atom via either an η 1 -O 2 or an η 2 -O 2 mode. Surprisingly, this step often has a higher barrier than the subsequent O 2 integration and dissociation, which in turn take multiple steps and complete the oxidation process. Dynamic trajectories starting from the key transition state of integration of the adsorbed O 2 can also lead to different intermediate structures during or right after the dissociation, due to the energy released from the transition state and the thermal intracluster effects. From these activated O 2 chemisorbed structures, O 2 dissociation occurs with moderate barriers (~0.5 eV), producing multiple final oxidized Cu 4 O 4 states. Hence, a diversity of reaction profiles for the attack of supported Cu cluster by O 2 emerges due to the dynamic effects, with implications for mechanisms, kinetic models, and catalyst design principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Vortex phases and glassy dynamics in the highly anisotropic superconductor HgBa 2 CuO 4+δ

We present an extensive study of vortex dynamics in a high-quality single crystal of HgBa 2 CuO 4+ δ , a highly anisotropic superconductor that is a model system for studying the effects of anisotropy. From magnetization M measurements over a wide range of temperatures T and fields H , we construct a detailed vortex phase diagram. We find that the temperature-dependent vortex penetration field H p ( T ), second magnetization peak H smp ( T ), and irreversibility field H irr ( T ) all decay exponentially at low temperatures and exhibit an abrupt change in behavior at high temperatures T / T c >~0.5. By measuring the rates of thermally activated vortex motion (creep) S ( T , H ) = | d ln M ( T , H )/ d ln t |, we reveal glassy behavior involving collective creep of bundles of 2D pancake vortices as well as temperature- and time-tuned crossovers from elastic (collective) dynamics to plastic flow. Based on the creep results, we show that the second magnetization peak coincides with the elastic-to-plastic crossover at low T , yet the mechanism changes at higher temperatures.

36 MATERIALS SCIENCE↗

NASA NTRS1985

RE-1000 free-piston Stirling engine update

A free piston Stirling engine was tested. The tests performed over the past several years on the single cylinder engine were designed to investigate the dynamics of a free piston Stirling engine. The data are intended to be used primarily for computer code validation. The tests designed to investigate the sensitivity of the engine performance to variations in working space pressure, heater and cooler temperatures, regenerator porosity, power piston mass and displacer dynamics were completed. In addition, some data were recorded with alternate working fluids. A novel resonant balance system for the engine was also tested. Some preliminary test results of the tests performed are presented along with an outline of future tests to be run with the engine coupled to a hydraulic output unit. A description of the hydraulic output unit is given.

Schreiber, J. G.↗

NASA NTRS1985

RE-1000 free-piston Stirling engine update

Schreiber, J.↗

DOE OSTI2020

The role of ambient gas confinement, plasma chemistry, and focusing conditions on emission features of femtosecond laser-produced plasmas

Ultrafast laser ablation coupled with optical emission spectroscopy is currently under development for standoff detection of elements and their isotopes for a wide range of application areas. In this work, we explore the role of ambient air pressure during the interaction of an ultrafast laser beam with two metallic targets (brass and uranium) with significantly different oxygen gas-phase reactivity. Plasma plumes were generated by focusing ~800 nm, ~35 fs pulses from an ultrafast laser system using a long focal length lens with f = 1 m. Two-dimensional spectral imaging was performed over the pressure range of 30 mTorr-700 Torr air to evaluate emission dynamics, plasma chemistry, signal-to-background ratio, and characteristic parameters (i.e. excitation temperature, electron density). An increase in ambient air pressure during ultrafast laser ablation leads to plume confinement and subsequent changes in the emission dynamics due to plasma chemistry as well as changes in plasma generation conditions (i.e. focused fs laser ablation versus filament ablation). Ablation crater morphologies were also investigated via scanning electron microscopy. Results indicate atomic emission intensity and signal-to-background ratios peak at moderate pressure levels (~50-100 Torr air) for both targets studied, although plasma chemistry influences uranium emission signatures. The emission features of the uranium plasma at pressures = 10 Torr showed the presence of atoms and oxide molecules which are co-located within the plume. We also find filament ablation leads to wider, more shallow craters compared to focused laser ablation. Our study provides unique insight into the interplay between plume dynamics, confinement, and oxygen chemistry of fs laser-produced plasmas and how these phenomena evolve with changing ambient air pressure.

Laser-produced plasma↗

DOE OSTI2023

Fabrication of Large-Area Metal-on-Carbon Catalytic Condensers for Programmable Catalysis

Catalytic condensers stabilize charge on either side of a high-k dielectric film to modulate the electronic states of a catalytic layer for the electronic control of surface reactions. Here, carbon sputtering provided for fast, large-scale fabrication of metal–carbon catalytic condensers required for industrial application. Carbon films were sputtered on HfO 2 dielectric/p-type Si with different thicknesses (1, 3, 6, and 10 nm), and the enhancement of conductance and capacitance of carbon films was observed upon increasing the carbon thickness following thermal treatment at 400 °C. After Pt deposition on the carbon films, the Pt catalytic condenser exhibited a high capacitance of ∼210 nF/cm 2 that was maintained at a frequency ∼1000 Hz, satisfying the requirement for a dynamic catalyst to implement catalytic resonance. Temperature-programmed desorption of carbon monoxide yielded CO desorption peaks that shifted in temperature with the varying potential applied to the condenser (−6 or +6 V), indicating a shift in the binding energy of carbon monoxide on the Pt condenser surface. A substantial increase in capacitance (∼2000 nF/cm 2 ) of the Pt-on-carbon devices was observed at elevated temperatures of 400 °C that can modulate ∼10% of charge per metal atom when 10 V potential was applied. A large catalytic condenser of 42 cm 2 area Pt/C/HfO 2 /Si exhibited a high capacitance of 9393 nF with a low leakage current/capacitive current ratio (<0.1), demonstrating the practicality and versatility of the facile, large-scale fabrication method for metal–carbon catalytic condensers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

Rotational and translational effects in collisions of electronically excited diatomic hydrides

Collisional quenching and vibrational energy proceed competitively with rotational energy transfer for several excited states of the diatomic radicals OH, NH, and CH. This occurs for a wide variety of molecular collision partners. This phenomenon permits the examination of the influence of rotational motion on the collision dynamics of these theoretically tractable species. Measurements can also be made as a function of temperature, i.e., collision velocity. In OH (sup 2 sigma +), both vibrational transfer and quenching are found to decrease with an increase in rotational level, while quenching decreases with increasing temperature. This behavior indicates that for OH, anisotropic attractive forces govern the entrance channel dynamics for these collisions. The quenching of NH (sup 3 pi sub i) by many (although not all) collision partners also decreases with increasing rotational and translational energy, and NH (sup 1 pi) behaves much like OH (sup 2 sigma +). However, the quenching of CH (sup 2 delta) appears to decrease with increasing rotation but increases with increasing temperature, suggesting in this case anisotropic forces involving a barrier or repulsive wall. Such similarities and differences should furnish useful comparisons with both simple and detailed theoretical pictures of the appropriate collision dynamics.

Crosley, David R.↗

NASA NTRS1991

The short-term temperature response to smoke from oil fires

The short-term effect of smoke, similar to that being emitted from the Kuwaiti oil fields, on the ground temperature of the afffected region was investigated using a numerical model of atmospheric dynamics, aerosol microphysics, and radiative transfer similar to that used previosly by Westphal and Toon (1991). Results show that, after one diurnal cycle beneath smoke plumes of moderate visible absorption, ground cooling and ground warming were both possible; the response of the ground temperature and the boundary layer dynamics depended on the surface characteristics, with desert exhibiting the strongest cooling of all the land types used.

Westphal, Douglas L.↗