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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simultaneous measurements of volume, pressure, optical images, and crystal structure with a dynamic diamond anvil cell: A real-time event monitoring system

The dynamic diamond anvil cell (dDAC) technique has attracted great interest because it possibly provides a bridge between static and dynamic compression studies with fast, repeatable, and controllable compression rates. The dDAC can be a particularly useful tool to study the pathways and kinetics of phase transitions under dynamic pressurization if simultaneous measurements of physical quantities are possible as a function of time. We report the development of a real-time event monitoring (RTEM) system with dDAC, which can simultaneously record the volume, pressure, optical image, and structure of materials during dynamic compression runs. In particular, the volume measurement using both Fabry–Pérot interferogram and optical images facilitates the construction of an equation of state (EoS) using the dDAC in a home-laboratory. We also developed an in-line ruby pressure measurement (IRPM) system to be deployed at a synchrotron x-ray facility. This system provides simultaneous measurements of pressure and x-ray diffraction in low and narrow pressure ranges. The EoSs of ice VI obtained from the RTEM and the x-ray diffraction data with the IRPM are consistent with each other. The complementarity of both RTEM and IRPM systems will provide a great opportunity to scrutinize the detailed kinetic pathways of phase transitions using dDAC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Visualizing strange metallic correlations in the two-dimensional Fermi-Hubbard model with artificial intelligence

Strongly correlated phases of matter are often described in terms of straightforward electronic patterns. This has so far been the basis for studying the Fermi-Hubbard model realized with ultracold atoms. Here, we show that artificial intelligence (AI) can provide an unbiased alternative to this paradigm for phases with subtle, or even unknown, patterns. Long- and short-range spin correlations spontaneously emerge in filters of a convolutional neural network trained on snapshots of single atomic species. In the less well-understood strange metallic phase of the model, we find that a more complex network trained on snapshots of local moments produces an effective order parameter for the non-Fermi-liquid behavior. We report our technique can be employed to characterize correlations unique to other phases with no obvious order parameters or signatures in projective measurements, and has implications for science discovery through AI beyond strongly correlated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Hydrodynamics in long-range interacting systems with center-of-mass conservation

In systems with a conserved density, the additional conservation of the center of mass (dipole moment) has been shown to slow down the associated hydrodynamics. At the same time, long-range interactions generally lead to faster transport and information propagation. Here, we explore the competition of these two effects and develop a hydrodynamic theory for long-range center-of-mass-conserving systems. Here we demonstrate that these systems can exhibit a rich dynamical phase diagram containing subdiffusive, diffusive, and superdiffusive behaviors, with continuously varying dynamical exponents. We corroborate our theory by studying quantum lattice models whose emergent hydrodynamics exhibit these phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Probing the Critical Nucleus Size in the Metal-Insulator Phase Transition of VO 2

In a first-order phase transition, critical nucleus size governs nucleation kinetics, but the direct experimental test of the theory and determination of the critical nucleation size have been achieved only recently in the case of ice formation in supercooled water. The widely known metal-insulator phase transition (MIT) in strongly correlated VO 2 is a first-order electronic phase transition coupled with a solid-solid structural transformation. It is unclear whether classical nucleation theory applies in such a complex case. Here we directly measure the critical nucleus size of the MIT by introducing size-controlled nanoscale nucleation seeds with focused ion irradiation at the surface of a deeply supercooled metal phase of VO 2 . The results compare favorably with classical nucleation theory and are further explained by phase-field modeling. This Letter validates the application of classical nucleation theory as a parametrizable model to describe phase transitions of strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

The formation of Saturn's satellites and rings, as influenced by Saturn's contraction history

The paper investigates constraints imposed on the ice content of Saturn's satellites and rings by the planet's high luminosity during the early part of its quasi-equilibrium contraction phase. It is assumed that the addition of ices to the satellites was not completed until after the start of the quasi-equilibrium contraction and that the condensation of ices ceased at the same time within the primordial nebulae of Jupiter and Saturn. Using previously derived limits on the time of condensation cessation for Jupiter's system, the following tentative conclusions are made: (1) Titan is the innermost satellite at whose position a methane-containing ice could condense; (2) water ice could have condensed at the positions of all the satellites; (3) the systematic decrease in the mass of the regular satellites with decreasing distance from the planet may have been caused, in part, by the larger time intervals, for the closer satellites, between the start of contraction and the first condensation of ices at their positions; and (4) ammonia ices, primarily NH4SH, were able to condense at the positions of all but the innermost satellites. It is also shown that water ice could have condensed in the region of the rings near the end of the condensation period.

Pollack, J. B.↗
NASA NTRS1985

Volatiles on satellites of the outer solar system

Molecules of cosmochemically abundant elements can act as volatiles and hence play a dominant role in the climatic and surficial evolution of solid bodies. Examples on terrestrial planets are H2O on Earth and H2O and CO2 on Mars. Analogous processes in the outer solar system focussing on CH4, its associated hydrocarbons, and N2 on Titan and Triton, the large moons of Saturn and Neptune were explored. A kilometer-deep C2H6-CH4 ocean was proposed for the surface of Titan to reconcile data on the lower atmosphere with understanding of the photochemical conversion of methane to heavier hydrocarbons. If such ocean exists, then it has dissolved in it an amount of N2 equal to the present atmospheric abundance. Since N2 contributes with CH4 a substantial greenhouse effect, the atmospheric physical and chemical characteristics are strongly coupled to those of the ocean, which change with time as methane is photolyzed in the stratosphere. Some relationship exists to the runaway greenhouse model for primordial Venus and the possible climatic implications of the buffering of Earth's atmospheric CO2 by the oceans. Two important diagnostics, measurable in Titan's atmosphere, of the conditions under which icy satellites formed are the abundances of noble gases and the CHd/CH4 radio. Both of these indicators have been altered during the evolution of Titan's surface-atmosphere system, the former by interaction with the ocean and the latter by progressive photolysis of methane into heavier hydrocarbons. The physical state and composition of volatiles on the surface of Triton is controversial, but plausibly could include CH4 N2 and perhaps CO. If condensed CH4 and N2 are widespread, their transformation to and from the vapor phase dominates the surface energy balance with sunlight. The extreme seasonal modulation of subsolar latitude on Triton is thus primarily expressed by volatile transport rather than large teperature changes, with possibly drastic observational consequences. The presence of two volatile species differing greatly in their vapor pressures make Triton a crude analog of Mars. Triton might be more appropriately regarded as a deep-freeze version of Titan.

Lunine, J. I.↗
NASA NTRS1999

Ignition and Combustion of Bulk Metals in a Microgravity Environment

Results of a study of heterogeneous and homogeneous combustion of metals in reduced gravity are presented. Cylindrical titanium and magnesium samples are radiatively ignited in pure-oxygen at 1 atm. Qualitative observations, propagation rates, and burning times are extracted from high-speed cinematography. Time-resolved emission spectra of gas-phase reactions are acquired with an imaging spectrograph. Lower propagation rates of the reacting mass on titanium and of ignition waves on magnesium are obtained at reduced gravity. These rates are compared to theoretical results from fire-spread analyses with a diffusion/convection controlled reaction. The close agreement found between experimental and theoretical propagation rates indicates the strong influence of natural-convection-enhanced oxygen transp6rt on burning rates. Lower oxygen flux and lack of condensed product removal appear to be responsible for longer burning times of magnesium gas-phase diffusion flames in reduced gravity. Spherically symmetric explosions in magnesium flames at reduced gravity (termed radiation-induced metal explosions, or RIME) may be driven by increased radiation heat transfer from accumulated condensed products to an evaporating metal core covered by a porous, flexible oxide coating. In titanium specimens, predominantly heterogeneous burning characterizes the initial steady propagation of the molten mass, while homogeneous gas-phase reactions are detected around particles ejected from the molten mixture. In magnesium specimens, band and line reversal of all the UV spectral systems of Mg and MgO are attributed to the interaction between small oxide particles and the principal gaseous emitters.

Branch, Melvyn C.↗
NASA NTRS2003

The I-Xe Age of Orgueil Magnetite: New Results

I-Xe ages of Murchison and Orgueil magnetites were reported to be the oldest [1] and interpreted as the condensation time of the solar nebula. More recent measurements, conducted on a highly magnetic separate from Orgueil (but not pure magnetite), gave much younger I-Xe ages [2]. We have since performed new studies on two pure separates of Orgueil magnetite, confirming the later closing time of the I-Xe system in this mineral phase. In the previous work of Lewis and Anders [1] special attention was paid to the purity of the analyzed material. It was shown, that the trapped Xe resided mostly in hydrated silicates and the radiogenic 129Xe in magnetite [3]. Therefore, Orgueil was finely ground and stirred with a saturated LiCl solution for 8 days at 60 C to remove the silicate-magnetite intergrowth. Although this procedure yields magnetic fractions that are at least 90% pure [1], it could potentially contaminate the magnetite with iodine and produce noncorrelated 128Xe and spurious I-Xe ages. To avoid this possibility, in our first work with Orgueil we deliberately omitted separation in LiCl solution. Instead, the meteorite was ground into a fine powder and the highly magnetic fraction was separated with a hand magnet and was confirmed to be largely magnetite [2]. The new work, reported here, was done in order to confirm our previous results and investigate the effects of the LiCl treatment on the I-Xe system in magnetite.

Pravdivtseva, O. V.↗
NASA NTRS2003

Proposed Space Flight Experiment Hardware

The primary thrust for this plan is to develop design tools and fundamental understanding that are timely and consistent with the goal of the various exploration initiatives. The plan will utilize ISS facilities, such as the Fluids Integrated Rack (FIR) and the Microgravity Science Glovebox (MSG). A preliminary flow schematic of Two-Phase Flow Facility (T(phi)FFy) which would utilize FIR is shown in Figure 3. MSG can be utilized to use the Boiling eXperiment Facility (BXF) and Contact Line Dynamics Experiment (CLiDE) Facility. The T(phi)FFy system would have multiple test sections whereby different configurations of heat exchangers could be used to study boiling and condensation phenomena. The test sections would be instrumented for pressure drop, void fraction, heat fluxes, temperatures, high-speed imaging and other diagnostics. Besides a high-speed data acquisition system with a large data storage capability, telemetry could be used to update control and test parameters and download limited amounts of data. In addition, there would be multiple accumulators that could be used to investigate system stability and fluid management issues. The system could accommodate adiabatic tests through either the space station nitrogen supply or have an experiment-specific compressor to pressurize a sufficient amount of air or other non-condensable gas for reuse as the supply bottle is depleted.

Source record↗
NASA NTRS2013

Silicon Heat Pipe Array

Improved methods of heat dissipation are required for modern, high-power density electronic systems. As increased functionality is progressively compacted into decreasing volumes, this need will be exacerbated. High-performance chip power is predicted to increase monotonically and rapidly with time. Systems utilizing these chips are currently reliant upon decades of old cooling technology. Heat pipes offer a solution to this problem. Heat pipes are passive, self-contained, two-phase heat dissipation devices. Heat conducted into the device through a wick structure converts the working fluid into a vapor, which then releases the heat via condensation after being transported away from the heat source. Heat pipes have high thermal conductivities, are inexpensive, and have been utilized in previous space missions. However, the cylindrical geometry of commercial heat pipes is a poor fit to the planar geometries of microelectronic assemblies, the copper that commercial heat pipes are typically constructed of is a poor CTE (coefficient of thermal expansion) match to the semiconductor die utilized in these assemblies, and the functionality and reliability of heat pipes in general is strongly dependent on the orientation of the assembly with respect to the gravity vector. What is needed is a planar, semiconductor-based heat pipe array that can be used for cooling of generic MCM (multichip module) assemblies that can also function in all orientations. Such a structure would not only have applications in the cooling of space electronics, but would have commercial applications as well (e.g. cooling of microprocessors and high-power laser diodes). This technology is an improvement over existing heat pipe designs due to the finer porosity of the wick, which enhances capillary pumping pressure, resulting in greater effective thermal conductivity and performance in any orientation with respect to the gravity vector. In addition, it is constructed of silicon, and thus is better suited for the cooling of semiconductor devices.

Yee, Karl Y.↗
NASA NTRS1999

Adsorption processes in spacecraft environmental control and life support systems

The environmental control and life support system on a spacecraft maintains a safe and comfortable environment in which the crew can live and work by supplying oxygen and water and by removing carbon dioxide, water vapor, and trace contaminants from cabin air. Although open-loop systems have been used successfully in the past for short-duration missions, the economics of current and future long-duration missions in space will make nearly complete recycling of air and water imperative. A variety of operations will be necessary to achieve the goal of nearly complete recycling. These include separation and reduction of carbon dioxide, removal of trace gas-phase contaminants, recovery and purification of humidity condensate, purification and polishing of wastewater streams, and others. Several of these can be performed totally or in part by adsorption processes. These processes are good candidates to perform separations and purifications in space due to their gravity independence, high reliability, relative high energy efficiency, design flexibility, technological maturity, and regenerative nature. For these reasons, adsorption has historically played a key role in life support on U.S. and Russian piloted spacecraft. Among the life support applications that can be achieved through use of adsorption technology are removal of trace contaminants and carbon dioxide from cabin air and recovery of potable water from waste streams. In each of these cases adsorption technology has been selected for use onboard the International Space Station. The requirements, science, and hardware for these applications are discussed. Human space exploration may eventually lead to construction of planetary habitats. These habitats may provide additional opportunities for use of adsorption processes, such as control of greenhouse gas composition, and may have different resources available to them, such as gases present in the planetary atmosphere. Separation and purification processes based on adsorption can be expected to continue to fulfill environmental control and life support needs on future missions.

Review, Tutorial↗
DOE OSTI2021

Quantum Embedding Theory for Strongly Correlated States in Materials

Quantum embedding theories are promising approaches to investigate strongly correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We present a detailed derivation of a quantum embedding theory recently introduced, which is based on the definition of effective Hamiltonians. The effect of the environment on a chosen active space is accounted for through screened Coulomb interactions evaluated using density functional theory. Importantly, the random phase approximation is not required, and the evaluation of virtual electronic orbitals is circumvented with algorithms previously developed in the context of calculations based on many-body perturbation theory. In addition, we generalize the quantum embedding theory to active spaces composed of orbitals that are not eigenstates of Kohn–Sham Hamiltonians. Finally, we report results for spin defects in semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multiple magnetic orders in LaFeAs 1-x P x O uncover universality of iron-pnictide superconductors

The iron-pnictide superconductors have generated tremendous excitement as the competition between magnetism and superconductivity has allowed unique in-roads towards elucidating a microscopic theory of unconventional high-temperature superconductivity. In addition to the stripe spin density wave ($C^a_{2M}$) phase observed in the parent compounds of all iron-pnictide superconductors, two novel magnetic orders have recently been discovered in different parent structures: an out-of-plane collinear double-Q ($C^c_{4M}$) structure in the hole-doped (Ca, Sr, Ba) 1-x (Na) x Fe 2 As 2 and Ba 1-x K x Fe 2 As 2 families, and a spin vortex crystal “hedgehog” ($C^{ab}_{4M}$) structure in the CaKFe 4 As 4 family. Using neutron diffraction, we demonstrate that LaFeAs 1-x P x O contains all three magnetic orders within a single-phase diagram as a function of substitution, all of which compete strongly with superconductivity. Our experimental observations combined with theoretical modeling demonstrate how the reduction in electronic correlations by chemical substitution results in larger Fermi surfaces and the sequential stabilization of multiple magnetic anisotropies. Our work presents a unified narrative for the competing magnetic and superconducting phases observed in various iron-pnictide systems with different crystal structures and chemistry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Deep learning of accurate force field of ferroelectric HfO 2

The discovery of ferroelectricity in HfO 2 -based thin films opens up new opportunities for using this silicon-compatible ferroelectric to realize low-power logic circuits and high-density nonvolatile memories. The functional performances of ferroelectrics are intimately related to their dynamic responses to external stimuli such as electric fields at finite temperatures. Molecular dynamics is an ideal technique for investigating dynamical processes on large length and time scales, though its applications to new materials are often hindered by the limited availability and accuracy of classical force fields. Here we present a deep neural network–based interatomic force field of HfO 2 learned from ab initio data using a concurrent learning procedure. The model potential is able to predict structural properties such as elastic constants, equation of states, phonon dispersion relationships, and phase transition barriers of various hafnia polymorphs with accuracy comparable with density functional theory calculations. Here, the validity of this model potential is further confirmed by the reproduction of experimental sequences of temperature-driven ferroelectric-paraelectric phase transitions of HfO 2 with isobaric-isothermal ensemble molecular dynamics simulations. We suggest a general approach to extend the model potential of HfO 2 to related material systems including dopants and defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spin-orbital liquids and insulator-metal transitions on the pyrochlore lattice

The two orbital Hubbard model, with the electrons additionally coupled to a complex magnetic background, arises in the pyrochlore molybdates. The background involves local moments Hund's coupled to the electrons, driving double exchange ferromagnetism, and antiferromagnetic (AF) tendency arising from competing superexchange. The key scales include the Hubbard repulsion and the superexchange, both of which can be tuned in these materials. They control the phase transition from a ferromagnetic metal to a spin glass metal and then to a spin glass (Mott) insulator. We provide a comprehensive description of the ground state of this model using an unrestricted Hartree-Fock scheme implemented via a simulated annealing procedure and establish the metal-insulator transition line for varying Hubbard interaction and superexchange. The electrons see an effective disorder, due to orbital frustration, already in the ferromagnetic phase. The disorder is further enhanced by antiferromagnetic coupling and the resulting magnetic disorder. As a result, increasing AF coupling shifts the metal-insulator transition to lower Hubbard interaction and gives it an additional "Anderson" character. In conclusion, we provide detailed results on the magnetic and orbital correlations, the density of states, and the optical conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Attractive Effect of a Strong Electronic Repulsion: The Physics of Vertex Divergences

While the breakdown of the perturbation expansion for the many-electron problem has several formal consequences, here we unveil its physical effect: flipping the sign of the effective electronic interaction in specific scattering channels. By decomposing local and uniform susceptibilities of the Hubbard model via their spectral representations, we prove how entering the nonperturbative regime causes an enhancement of the charge response, ultimately responsible for the phase-separation instabilities close to the Mott metal-insulator transition. Furthermore, our analysis opens a new route for understanding phase transitions in the nonperturbative regime and clarifies why attractive effects emerging from a strong repulsion can induce phase separations but not s-wave pairing or charge-density wave instabilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Phase Diagram of the Easy-Axis Triangular-Lattice 𝐽 1 −𝐽 2 Model

Our work studies the largely unexplored phase diagram of the S = 1/2 easy-axis triangular-lattice J 1 -J 2 model, motivated by recent interest in rare-earth and transition-metal compounds that exhibit strong quantum fluctuations and broad spin excitation continua—hallmarks of spin-liquid behavior. Combining density-matrix renormalization group simulations with analytical insights, we present a comprehensive study of the model that describes these materials. Our results provide compelling evidence for a robust spin-liquid phase stabilized between the exotic supersolid Y phase and the collinear stripe phase, remarkably persistent even in the presence of symmetry-breaking anisotropy. Additionally, we analyze the supersolid Y phase, offering a quantitative characterization of its order parameters and clarifying the surprising absence of a ferromagnetic moment; both features relevant to recent experiments on Ising-like triangular-lattice magnets. Altogether, our work provides the necessary framework and important theoretical guidance to the ongoing searches of the spin liquid and other exotic states in the rare-earth and transition-metal triangular-lattice compounds, as well as for advancing the understanding of anisotropic-exchange magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Disentangling High Harmonic Generation from Surface and Bulk States of a Topological Insulator

The discovery of topological phases has introduced a new dimension to materials science. Three-dimensional (3D) topological insulators (TIs) are a remarkable class of matter that is insulating in the bulk while hosting conductive topological surface states (TSSs) with unique charge and spin properties. High-order harmonic generation (HHG) has emerged as a powerful tool to probe condensed matter systems by providing insights into their electronic structure and dynamic behavior. Here, we investigate HHG in the prototype 3D-TI Bi$_2$Se$_3$. We demonstrate that the contributions of bulk and surface states to the harmonic emission can be controlled by tuning the thickness of thin film samples. An ultrathin (6 nm) film substantially enhances HHG from the surface states, while the bulk states dominate HHG in a thicker (50 nm) film. By applying a quasi-static terahertz perturbing field, we disentangle the bulk and surface responses and reveal the significant impact of the surface states' shift vector and Berry curvature on HHG. Our study provides effective methods for isolating the optical responses of TSSs from those of the bulk, which opens the door to resolving an ongoing debate regarding whether it is possible to reliably extract topological signatures in HHG.

Atomic Physics (physics.atom-ph)↗