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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spinons and damped phonons in the spin- 1 2 quantum liquid Ba 4 Ir 3 O 10 observed by Raman scattering

In spin-1/2 Mott insulators, nonmagnetic quantum liquid phases are often argued to arise when the system shows no magnetic ordering, but identifying positive signatures of these phases or related spinon quasiparticles can be elusive. Here, we use Raman scattering to provide three signatures for spinons in a possible spin-orbit quantum liquid material Ba 4 Ir 3 O 10 : (1) a broad hump, which we show can arise from Luttinger liquid spinons in Raman with parallel photon polarizations normal to one-dimensional chains; (2) strong phonon damping from phonon-spin coupling via the spin-orbit interaction; and (3) the absence of (1) and (2) in the magnetically ordered phase that is produced when 2% of Ba is substituted by Sr [(Ba 0.98 Sr 0.02 ) 4 Ir 3 O 10 ]. Furthermore, the phonon damping via itinerant spinons seen in this quantum liquid insulator suggests a mechanism for enhancing thermoelectricity in strongly correlated conductors, through a neutral quantum liquid that need not affect electronic transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Structure and disorder resulting in ultralow thermal conductivity in the defect chalcopyrite AgInSnSe 4

Quaternary chalcogenides are attractive for a variety of technological fields of interest due to the diverse physical properties these materials possess. Herein, the structural and thermal properties of the disordered chalcopyrite AgInSnSe 4 are reported revealing a distinct relation between its structure and physical properties. Modeling of the experimental temperature-dependent thermal properties revealed an ultralow thermal conductivity (0.47 Wm -1 K -1 at room temperature) due to lattice anharmonicity, a low speed of sound and a low Debye temperature. Moreover, first principles electronic structure calculations revealed that the Ag-Se tetrahedra within the crystal structure possess relatively weak bonds due to occupied antibonding states from p-d orbital hybridization, which suppress the thermal conductivity. Here, in order to further quantify our findings, we extended our analyses to include comparisons with other ternary and quaternary adamantine materials, all of which possess a fourfold tetrahedral coordination of atoms, in revealing the origin of the thermal properties in AgInSnSe 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ambient and High Pressure CuNiSb 2 : Metal-Ordered and Metal-Disordered NiAs-Type Derivative Pnictides

The mineral Zlatogorite, CuNiSb 2 , was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb 2 -AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb 2 -AP crystallizes in the NiAs-derived structure ( P 3 m 1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb 6 and CuSb 6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure ( P 6 3 / mm c, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb 2 -AP. The magnetic measurement indicates that CuNiSb 2 -AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb 2 -AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb 2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb 2 -8 GPa) was prepared by pressing CuNiSb 2 -AP at 700 °C and 8 GPa. However, the structures of single crystal and CuNiSb 2 -8 GPa are best fit with a disordered metal structure in the P 3 m 1 space group, corroborated by transmission electron microscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ab Initio Study of Vibronic and Magnetic 5f-to-5f and Dipole-Allowed 5f-to-6d and Charge-Transfer Transitions in [UX 6 ] n – (X = Cl, Br; n = 1, 2)

The absorption spectra of the octahedral [UX 6 ] n– (X = Cl, Br; n = 1, 2) complexes in the near-infrared (NIR) and UV–vis spectral regions were studied theoretically, using a relativistic restricted active space second-order perturbation theory (RASPT2) wavefunction framework, with the spin–orbit (SO) coupling treated by state interaction, in conjunction with Kohn–Sham density functional theory calculations for determining the vibrational normal modes. The electric-dipole-allowed ligand-to-metal charge-transfer (LMCT) and 5f-to-6d transitions, and the electric-dipole-forbidden 5f-to-5f ligand field (LF) transitions, are thereby obtained within the same theoretical framework. For the 5f-to-5f LF transitions, the observed absorption intensity is mostly due to vibronic coupling with low-energy electric-dipole-allowed transitions, but in some cases, the magnetic dipole intensity of the purely electronic transition has comparable intensity to the vibronic transitions. Here, experimental LF spectra of 5f 2 open-shell systems have been reported decades back, but ab initio calculations of their vibronic intensity have not yet been reported in the literature. Although the LF spectra for the 5f 2 systems can be assigned in detail, based on the calculations, the spectra are very complex and the underlying electronic states are strongly multiconfigurational. Therefore, the usefulness of the LF spectra beyond serving as a “fingerprint” of the LF and the metal oxidation state appears to be limited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Guiding center and gyrokinetic orbit theory for large electric field gradients and strong shear flows

The guiding center and gyrokinetic theory of magnetized particle motion is extended to the regime of large electric field gradients perpendicular to the magnetic field. A gradient in the electric field directly modifies the oscillation frequency and causes the Larmor orbits to deform from circular to elliptical trajectories. In order to retain a good adiabatic invariant, there can only be strong dependence on a single coordinate at lowest order, so that resonances do not generate chaotic motion that destroys the invariant. When the gradient across magnetic flux surfaces is dominant, the guiding center drift velocity becomes anisotropic in response to external forces and additional curvature drifts must be included. The electric polarization density remains gyrotropic, but both the polarization and magnetization are modified by the change in gyrofrequency. The theory can be applied to shear flows that are even stronger than those observed in the edge transport barrier of a high-performance tokamak (H-mode) pedestal, even if the toroidal field is as small as or even smaller than the poloidal field. Yet, the theory retains a mathematical form that is similar to the standard case and can readily be implemented within existing simulation tools.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Absence of long-range magnetic order in Fe 1–δ Te 2 (δ ≈ 0.1) crystals

Transition metal dichalcogenides attract considerable attention due to variety of interesting properties, including long range magnetism in nanocrystals. Here we have investigated magnetic, thermal and electrical properties of FeTe 2 single crystal with iron vacancy defects. Magnetic measurements shows paramagnetic state and the absence of magnetic order with small anisotropy in magnetic susceptibility. Fe 3d orbitals are well hybridized, contributing to bad metal electrical resistivity. Observed thermal conductivity values below room temperature are rather low and comparable to high performance thermoelectric materials. Furthermore, our results indicate that FeTe 2 can form in highly defective marcasite crystal structure which can be exploited in future materials design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin-polarized imaging of strongly interacting fermions in the ferrimagnetic state of the Weyl candidate CeBi

CeBi has an intricate magnetic phase diagram whose fully polarized state has recently been suggested as a Weyl semimetal, though the role of f states in promoting strong interactions has remained elusive. Here we focus on the less-studied but also time-reversal symmetry-breaking ferrimagnetic phase of CeBi, where our density functional theory (DFT) calculations predict additional Weyl nodes near the Fermi level E F . We use spin-polarized scanning tunneling microscopy and spectroscopy to image the surface ferrimagnetic order on the itinerant Bi p states, indicating their orbital hybridization with localized Ce f states. We observe suppression of this spin-polarized signature at E F , coincident with a Fano line shape in the conductance spectra, suggesting the Bi p states partially Kondo screen the f magnetic moments, and this p – f hybridization causes strong Fermi-level band renormalization. Furthermore, the p-band flattening is supported by our quasiparticle interference measurements, which also show band splitting in agreement with DFT, painting a consistent picture of a strongly interacting magnetic Weyl semimetal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Magnetic field induced partially polarized chiral spin liquid in a transition metal dichalcogenide moiré system

As one of the most intriguing states of matter, the chiral spin liquid (CSL) has attracted much scientific interest while its existence and mechanism in crystalline strongly correlated systems remain hotly debated. On the other hand, strong correlation driven emergent phenomena can be realized in twisted transition metal dichalcogenide bilayers with a tremendously tunable large length scale providing a new platform for the emergence of CSLs. Here, we focus on a strongly correlated model relevant to heterobilayer WSe 2 /MoSe 2 and investigate the Mott insulating phase at half filling under an out-of-plane magnetic field. Considering both its orbital and spin Zeeman effects we identify three conventionally ordered phases including a 120° Néel phase, a stripe phase, and an up-up-down phase. For intermediate fields an emergent quantum spin liquid phase is identified with partial spin polarization. We further characterize its topological nature as the v = 1/2 Laughlin CSL through the topological entanglement spectrum and quantized spin pumping under spin flux insertion. In addition, we map out the quantum phase diagram for different twisted angles in an experimentally accessible parameter regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Breakdown of order fractionalization in the CPT model

Here, we present an analysis of the half-filled CPT model, an analytically tractable Kondo lattice model with Yao-Lee spin-spin interactions on a 3D hyperoctagon lattice, proposed by Coleman, Panigrahi, and Tsvelik. Previous studies have established that the CPT model exhibits odd-frequency triplet superconductivity and order fractionalization. Through asymptotic analyses in the small- and large- Kondo coupling limits, we identify a quantum critical point at , marking a transition from a superconductor to a Kondo insulator. By estimating the vison gap energy to account for thermal gauge fluctuations, we determine the energy scales governing the thermal breakdown of order fractionalization. Moreover, at large the Kondo insulator undergoes orbital decoupling, leading to the formation of a decoupled Kitaev orbital liquid. These findings and analogies with the -gauged model lead us to propose a tentative phase diagram for the CPT model at half-filling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Laplacian-level meta-generalized gradient approximation for solid and liquid metals

In this work, we derive and motivate a Laplacian-level, orbital-free meta-generalized-gradient approximation (LL-MGGA) for the exchange-correlation energy, targeting accurate ground-state properties of sp and sd metallic condensed matter, in which the density functional for the exchange-correlation energy is only weakly nonlocal due to perfect long-range screening. Our model for the orbital-free kinetic energy density restores the fourth-order gradient expansion for exchange to the r 2 SCAN meta-GGA [Furness et al., J. Phys. Chem. Lett. 11, 8208 (2020)], yielding a LL-MGGA we call OFR2. OFR2 matches the accuracy of SCAN for prediction of common lattice constants and improves the equilibrium properties of alkali metals, transition metals, and intermetallics that were degraded relative to the PBE GGA values by both SCAN and r 2 SCAN. We compare OFR2 to the r 2 SCAN -L LL-MGGA [Mejia-Rodriguez and Trickey, Phys. Rev. B 102, 121109(R) (2020)] and show that OFR2 tends to outperform r 2 SCAN -L for the equilibrium properties of solids, but r 2 SCAN -L much better describes the atomization energies of molecules than OFR2 does. For best accuracy in molecules and nonmetallic condensed matter, we continue to recommend SCAN and r 2 SCAN. Numerical performance is discussed in detail, and our paper provides an outlook to machine learning.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Universal interferometric signatures of a black hole’s photon ring

The Event Horizon Telescope image of the supermassive black hole in the galaxy M87 is dominated by a bright, unresolved ring. General relativity predicts that embedded within this image lies a thin “photon ring,” which is composed of an infinite sequence of self-similar subrings that are indexed by the number of photon orbits around the black hole. The subrings approach the edge of the black hole “shadow,” becoming exponentially narrower but weaker with increasing orbit number, with seemingly negligible contributions from high-order subrings. Here, we show that these subrings produce strong and universal signatures on long interferometric baselines. These signatures offer the possibility of precise measurements of black hole mass and spin, as well as tests of general relativity, using only a sparse interferometric array.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Small Penetrator Instrument Concept for the Advancement of Lunar Surface Science

Fundamental scientific objectives concerning the surface and subsurface material and dynamics of the Moon are the drivers for the use and advancement of penetrators, which emplace a suite of scientific instruments by impact into a planetary surface, typically at velocities of dozens to hundreds of meters per second. Small lunar penetrators are poised to become a valuable new tool for lunar science and exploration during the next decade. These low-cost ballistic probes can be deployed in large numbers from orbit, or from descending robotic or crewed vehicles, in order to explore and characterize the diversity of extreme lunar shallow subsurface environments. In this paper, we describe the general overview of penetrator objectives, potential instrumentation, and how these would benefit the advancement of lunar science at various extreme environments.

47 OTHER INSTRUMENTATION↗
NASA NTRS1972

Effect of support flexibilty and damping on the dynamic response of a single mass flexible rotor in elastic bearings

A steady state analysis of the shaft and the bearing housing motion was made by assuming synchronous precession of the system. The conditions under which the support system would act as a dynamic vibration absorber at the rotor critical speed were studied; plots of the rotor and support amplitudes, phase angles, and forces transmitted were evaluated by the computer, and the performance curves were automatically plotted by a CalComp plotter unit. Curves are presented on the optimization of the support housing characteristics to attenuate the rotor unbalance response over the entire rotor speed range. The complete transient motion including rotor unbalance was examined by integrating the equations of motion numerically using a modified fourth order Runge-Kutta procedure, and the resulting whirl orbits were plotted by the CalComp plotter unit. The results of the transient analysis are discussed with regards to the design optimization procedure derived from the steady-state analysis.

Kirk, R. G.↗
NASA NTRS1977

A Mars orbiter/rover/penetrator mission for the 1984 opportunity

A point design mission is described that utilizes the 1984 opportunity to extend the exploration of Mars after the successful Viking operations and provide the additional scientific information needed before conducting a sample return mission. Two identical multi-element spacecraft are employed, each consisting of (1) an orbiter, (2) a Viking-derived landing system that delivers a heavily instrumented, semi-autonomous rover, and (3) three penetrators deployed from the approach trajectory. Selection of the orbit profiles requires consideration of several important factors in order to satisfy all of the mission goals.

Hastrup, R.↗
NASA NTRS1980

Low-thrust vehicles concept studies

Low thrust chemical (hydrogen-oxygen) propulsion systems configured specifically for low acceleration orbit transfer of large space systems were studied in order to provide the required additional data to better compare new, low thrust chemical propulsion systems with other propulsion approaches such as advanced electric systems. Study results indicate that it is cost-effective and least risk to combine the low thrust OTV and stowed spacecraft in a single 65 K shuttle. Mission analysis indicates that there are 25 such missions, starting in 1987. Multiple shuttles (LSS in one, OTV in another) result in a 20% increase in LSS (SBR) diameter over single shuttle launches. Synthesis and optimization of the LSS characteristics and OTV capability resulted in determination of the optimum thrust-to-weight and thrust level. For the space based radar with radial truss arms (center thrust application), the optimum thrust-to-weight (maximum) is 0.1, giving a thrust of 2000 lb. For the annular truss (edge-on thrust application) the structure is not as sensitive, and thrust of 1000 lb appears optimum. For the geoplatform, optimum T/W is .15 (3000 lb thrust). The effects of LSS structure material, weight distribution, and unit area density were evaluated, as were the OTV engine thrust transient and number of burns.

Ketchum, W. J.↗
NASA NTRS1983

Thorium concentrations in the lunar surface. IV - Deconvolution of the Mare Imbrium, Aristarchus, and adjacent regions

Several fields of orbital gamma ray spectroscopy data have been deconvolved in order to model the distribution of Th over the Mare Imbrium and northern Oceanus Procellarum portions of the Apollo 15 lunar ground track, which in combination with a prior study of the Apenninus region covers a continuous swath from 10 deg E to 60 deg W in the northwest quadrant. The crater of the Aristarchus region dominates the Th distribution, with a concentration of 20 ppm, and substantial enhancements are also found in the mare regions around Brayley and at the ejecta blankets of Timocharis and Lambert. The existence of enhanced Th concentrations in mare basalt regions suggests that reservoirs of some late stage mare basalts incorporated KREEP-rich material during formation or transit.

Etchegaray-Ramirez, M. I.↗
NASA NTRS1983

Orbital Maneuvering Vehicle Simulation System On-Board Processing Logic

The control logic for an Orbital Maneuvering Vehicle (OMV) Simulation system is developed. In order that better control over the vehicle can be exercised, several modifications to the vehicle are suggested. The need of better position feedback leads to the development of an alternative simpler but more reliable navigation system which is also discussed. The control logic is presented in pseudocode form, and can be implemented in FORTRAN and/or MACRO II.

Teoh, W.↗
NASA NTRS1984

Planet-crossing asteroid survey

The planet-crossing asteroid survey was begun in 1973 in order to study those asteroids which may intersect the orbits of the inner planets. Throughout the history of the survey, many of the various classes of asteroids were investigated. The near-Earth objects including the Apollo, Amor, and Aten families were studied in addition to asteroids whose orbits cross that of Mars, and some objects which are generally confined to the main belt. Observing was done on the 18 inch Schmidt telescope at the Palomar Mtn. Observatory. Typically, two consecutive photographs of a favorable field are taken. The exposure times of the films are usually twenty minutes and ten minutes, respectively. The telescope is guided at sidereal rate, so that asteroids will leave short trailed images. The films are then scanned for trails. By comparing the two films, the direction and approximate rate of motion of an asteroid may be determined.

Wilder, P. D.↗