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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Direct observation of strong momentum-dependent electron-phonon coupling in a metal

Phonon scattering in metals is one of the most fundamental processes in materials science. However, understanding such processes has remained challenging and requires detailed information on interactions between phonons and electrons. We use an ultrafast electron diffuse scattering technique to resolve the nonequilibrium phonon dynamics in femtosecond–laser-excited tungsten in both time and momentum. We determine transient populations of phonon modes which show strong momentum dependence initiated by electron-phonon coupling. For phonons near Brillouin zone border, we observe a transient rise in their population on a timescale of approximately 1 picosecond driven by the strong electron-phonon coupling, followed by a slow decay on a timescale of approximately 8 picosecond governed by the weaker phonon-phonon relaxation process. We find that the exceptional harmonicity of tungsten is needed for isolating the two processes, resulting in long-lived nonequilibrium phonons in a pure metal. Our finding highlights that electron-phonon scattering can be the determinant factor in the phonon thermal transport of metals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multi-scale time-resolved electron diffraction: A case study in moiré materials

Ultrafast-optical-pump — structural-probe measurements, including ultrafast electron and x-ray scattering, provide direct experimental access to the fundamental timescales of atomic motion, and are thus foundational techniques for studying matter out of equilibrium. High-performance detectors are needed in scattering experiments to obtain maximum scientific value from every probe particle. Here we deploy a hybrid pixel array direct electron detector to perform ultrafast electron diffraction experiments on a WSe 2 /MoSe 2 2D heterobilayer, resolving the weak features of diffuse scattering and moiré superlattice structure without saturating the zero order peak. Enabled by the detector’s high frame rate, we show that a chopping technique provides diffraction difference images with signal-to-noise at the shot noise limit. Finally, we demonstrate that a fast detector frame rate coupled with a high repetition rate probe can provide continuous time resolution from femtoseconds to seconds, enabling us to perform a scanning ultrafast electron diffraction experiment that maps thermal transport in WSe 2 /MoSe 2 and resolves distinct diffusion mechanisms in space and time.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structural evolution during solution-based synthesis of Li 7 P 3 S 11 solid electrolyte by synchrotron X-ray total scattering

Solution-based synthesis has emerged as a promising approach for scalable and efficient synthesis of solid electrolytes (SEs). However, the ionic conductivity of solution-synthesized SEs is much lower than that of SEs synthesized by solid state approaches. The structural evolution during the synthesis of SEs is crucial to explaining the decreased ionic conductivities but has not been well understood. Here, in this work, we use synchrotron X-ray total scattering combined with pair distribution function (PDF) analysis to understand the structural evolution during annealing of the solution-processed precursor for the synthesis of Li 7 P 3 S 11 SEs. Combining Bragg diffraction and diffuse scattering, X-ray total scattering enables detection of structural information including phase transition and crystallinity. The results show that the formation of Li 7 P 3 S 11 glass-ceramic starts at 230 °C. Increasing the annealing temperature helps to improve the crystallinity, but the degree of crystallization is still lower than 70.3% even after annealing at 290 °C when thermal decomposition of Li 7 P 3 S 11 to Li 4 P 2 S 6 has occurred. PDF analysis also revealed the existence of acetonitrile used in the solution-based synthesis in the SEs after annealing at high temperatures. The results rationalize the synthesis–property relationship, explain why annealing at 290 °C provides the highest ionic conductivity at the studied temperatures due to an optimal balance for achieving a high crystallinity while suppressing severe decomposition of Li 7 P 3 S 11 , and provide novel insights to develop approaches for synthesizing superior Li 7 P 3 S 11 SEs on a large scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Electron scattering and the distances to cluster cooling flows

Cluster cooling flows have electron-scattering optical depths which are estimated to be about 0.01. Many of the cluster-dominant galaxies centered in cluster cooling flows have active nuclei, and about 1 percent of the luminosity from the active nuclei should appear as diffuse, scattered radiation. It is shown here that detection of this scattered radiation at radio wavelengths can provide a measure of the distance to the cluster that is independent of the Hubble constant. Observations of the scattered surface brightness profile can also be used to test for clumpiness in the gas, for variations in the central radio source on time scales less than 100,000 yr, and for the degree of beaming of radiation from the central source.

Wise, Michael W.↗
DOE OSTI2015

Response of Gd 2 Ti 2 O 7 and La 2 Ti 2 O 7 to swift-heavy ion irradiation and annealing

Swift heavy ion (2 GeV 181 Ta) irradiation-induced amorphization and temperature-induced recrystallization of cubic pyrochlore Gd 2 Ti 2 O 7 (Fd3¯m) are compared with the response of a compositionally-similar material with a monoclinic-layered perovskite-type structure, La 2 Ti 2 O 7 (P2 1 ). The averaged electronic energy loss, dE/dx, was 37 keV/nm and 35 keV/nm in Gd 2 Ti 2 O 7 and La 2 Ti 2 O 7 , respectively. Systematic analysis of the structural modifications was completed using transmission electron microscopy, synchrotron X-ray diffraction, Raman spectroscopy, and small-angle X-ray scattering. Increasing ion-induced amorphization with increasing ion fluence was evident in the X-ray diffraction patterns of both compositions by a reduction in the intensity of the diffraction maxima concurrent with the growth in intensity of a broad diffuse scattering halo. Transmission electron microscopy analysis showed complete amorphization within ion tracks (diameter: ~10 nm) for the perovskite-type material; whereas a concentric, core–shell morphology was evident in the ion tracks of the pyrochlore, with an outer shell of disordered yet still crystalline material with the fluorite structure surrounding an amorphous track core (diameter: ~9 nm). The radiation response of both titanate oxides with the same stoichiometry can be understood in terms of differences in their structures and compositions. While the radiation damage susceptibility of pyrochlore A 2 B 2 O 7 materials decreases as a function of the cation radius ratio rA/rB, the current study correlates this behavior with the stability field of monoclinic structures, where rLa/rTi > rGd/rTi. Isochronal annealing experiments of the irradiated materials showed complete recrystallization of La 2 Ti 2 O 7 at 775 °C and of Gd 2 Ti 2 O 7 at 850 °C. The annealing behavior is discussed in terms of enhanced damage recovery in La 2 Ti 2 O 7 , compared to the pyrochlore compounds Gd 2 Ti 2 O 7 . As a result, the difference in the recrystallization behavior may be related to structural constraints, i.e., reconstructing a low symmetry versus a high symmetry phase.

36 MATERIALS SCIENCE↗
NASA NTRS1987

A ray tracing model for leaf bidirectional scattering studies

A leaf is modeled as a deterministic two-dimensional structure consisting of a network of circular arcs designed to represent the internal morphology of major species. The path of an individual ray through the leaf is computed using geometric optics. At each intersection of the ray with an arc, the specular reflected and transmitted rays are calculated according to the Snell and Fresnel equations. Diffuse scattering is treated according to Lambert's law. Absorption is also permitted but requires a detailed knowledge of the spectral attenuation coefficients. An ensemble of initial rays are chosen for each incident direction with the initial intersection points on the leaf surface selected randomly. The final equilibrium state after all interactions then yields the leaf bidirectional reflectance and transmittance distributions. The model also yields the internal two dimensional light gradient profile of the leaf.

Brakke, T. W.↗
DOE OSTI2019

Pair distribution function analysis of neutron-irradiated silicon carbide

We have employed x-ray total scattering to investigate the structure of polycrystalline 3C-silicon carbide following neutron irradiation. Here, the structure as a function of irradiation temperature and dose was quantified by analyzing pair distribution functions. Although the SiC matrix retains its crystal structure after irradiation, a significant increase in the diffuse scattering component is observable indicating that neutron irradiation leads to changes in both the short- and medium-range order. These changes include both an irradiation dose- and temperature-dependent increase in the vacancy concentration leading to an increase in the Si and C atomic displacement parameters. A dose-dependent decrease in the size of defect free material is also quantified from the structural refinements due to an increase in the number of defects and defect clusters. Evidence of additional correlations in the short-range order (up to ~4 Å) from differential pair distribution function analysis indicate that combinations of atomistic defects including anti-site defects, vacancies and defect clusters are present after these irradiation conditions. Such structural information will be valuable for direct comparison of experimental and simulated atomic structures of irradiated silicon carbide.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Small-angle scattering of particle assemblies

Small-angle scattering formulae for crystalline assemblies of arbitrary particles are derived from powder diffraction theory using the decoupling approximation. To do so, the pseudo-lattice factor is defined, and methods to overcome the limitations of the decoupling approximation are investigated. Further, approximated equations are suggested for the diffuse scattering from various defects of the first kind due to non-ideal particles, including size polydispersity, orientational disorder and positional fluctuation about their ideal positions. Calculated curves using the formalism developed herein are compared with numerical simulations computed without any approximation. For a finite-sized assembly, the scattering from the whole domain of the assembly must also be included, and this is derived using the correlation function approach.

assembly↗
DOE OSTI2020

Cluster Frustration in the Breathing Pyrochlore Magnet LiGaCr 4 S 8

We present a comprehensive neutron scattering study of the breathing pyrochlore magnet LiGaCr 4 S 8 . We observe an unconventional magnetic excitation spectrum with a separation of high and low-energy spin dynamics in the correlated paramagnetic regime above a spin-freezing transition at 12(2) K. By fitting to magnetic diffuse-scattering data, we parameterize the spin Hamiltonian. We find that interactions are ferromagnetic within the large and small tetrahedra of the breathing pyrochlore lattice, but antiferromagnetic further-neighbor interactions are also essential to explain our data, in qualitative agreement with density-functional theory predictions [Ghosh et al., npj Quantum Mater. 4, 63 (2019)]. We explain the origin of geometrical frustration in LiGaCr 4 S 8 in terms of net antiferromagnetic coupling between emergent tetrahedral spin clusters that occupy a face-centered lattice. Furthermore, our results provide insight into the emergence of frustration in the presence of strong further-neighbor couplings, and a blueprint for the determination of magnetic interactions in classical spin liquids.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

X-ray scattering signatures of early-time accelerations in iodine dissociation

Ultrafast time-resolved x-ray scattering (TRXS) from a photoexcited molecular ensemble measures a distribution $S(Q, τ)$ of the x-ray momentum transfer Q and pump-probe delay τ in which all modes of motion induced by the excitation overlap. Frequency-resolved x-ray scattering (FRXS) based on $\tilde {S}\left(Q,\omega \right)$ separates each oscillation and dissociation channel in the TRXS data, enabling measurements of vibrational frequencies and phases, and dissociation velocities and time shifts. In this work, we extend FRXS analysis to study early-time accelerations as well. We show how these appear as diffuse scattering patterns with characteristic phase evolution in FXRS and we develop a set of transformations that isolate individual channels to measure the early-time accelerated motion. This procedure is used to analyze diatomic iodine x-ray scattering data with multiple dissociations, and the ability of this technique to characterize early-time accelerations of one dissociation channel even in the presence of another dissociation is demonstrated.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Experimental signatures of a three-dimensional quantum spin liquid in effective spin-1/2 Ce 2 Zr 2 O 7 pyrochlore

A quantum spin liquid is a state of matter where unpaired electrons’ spins, although entangled, do not show magnetic order even at the zero temperature. The realization of a quantum spin liquid is a long-sought goal in condensed-matter physics. Although neutron scattering experiments on the two-dimensional spin-1/2 kagome lattice ZnCu 3 (OD) 6 Cl 2 and triangular lattice YbMgGaO 4 have found evidence for the hallmark of a quantum spin liquid at very low temperature (a continuum of magnetic excitations), the presence of magnetic and non-magnetic site chemical disorder complicates the interpretation of the data. Recently, the three-dimensional Ce 3+ pyrochlore lattice Ce 2 Sn 2 O 7 has been suggested as a clean, effective spin-1/2 quantum spin liquid candidate, but evidence of a spin excitation continuum is still missing. Furthermore, we use thermodynamic, muon spin relaxation and neutron scattering experiments on single crystals of Ce 2 Zr 2 O 7 , a compound isostructural to Ce 2 Sn 2 O 7 , to demonstrate the absence of magnetic ordering and the presence of a spin excitation continuum at 35 mK. With no evidence of oxygen deficiency and magnetic/non-magnetic ion disorder seen by neutron diffraction and diffuse scattering measurements, Ce 2 Zr 2 O 7 may be a three-dimensional pyrochlore lattice quantum spin liquid material with minimum magnetic and non-magnetic chemical disorder.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Interfacial phonon scattering and transmission loss in > 1 µm thick silicon-on-insulator thin films

Scattering of phonons at boundaries of a crystal (grains, surfaces, or solid/solid interfaces) is characterized by the phonon wavelength, the angle of incidence, and the interface roughness, as historically evaluated using a specularity parameter p formulated by Ziman [Electrons and Phonons (Clarendon Press, Oxford, 1960)]. This parameter was initially defined to determine the probability of a phonon specularly reflecting or diffusely scattering from the rough surface of a material. The validity of Ziman's theory as extended to solid/solid interfaces has not been previously validated. Here, to better understand the interfacial scattering of phonons and to test the validity of Ziman's theory, we precisely measured the in-plane thermal conductivity of a series of Si films in silicon-on-insulator (SOI) wafers by time-domain thermoreflectance (TDTR) for a Si film thickness range of 1–10 μm and a temperature range of 100–300 K. The Si/SiO 2 interface roughness was determined to be 0.11±0.04nm using transmission electron microscopy (TEM). Furthermore, we compared our in-plane thermal conductivity measurements to theoretical calculations that combine first-principles phonon transport with Ziman's theory. Calculations using Ziman's specularity parameter significantly overestimate values from the TDTR measurements. We attribute this discrepancy to phonon transmission through the solid/solid interface into the substrate, which is not accounted for by Ziman's theory for surfaces. The phonons that are specularly transmitted into an amorphous layer will be sufficiently randomized by the time they come back to the crystalline Si layer, the effect of which is practically equivalent to a diffuse reflection at the interface. Finally, we derive a simple expression for the specularity parameter at solid/amorphous interfaces and achieve good agreement between calculations and measurement values.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Polarization of light scattered by clover

This study was undertaken in order to better understand the factors that govern the polarization of light scattered from vegetation and soils. This phenomenon is not well understood but is potentially of interest for remote sensing of the earth. The intensity and polarization of light scattered by clover in vivo and soil were measured at a number of different angles of incidence and reflectance. Both individual leaves and natural patches of vegetation were measured. The Umov effect, or inverse relation between polarization and reflectance noted by many earlier workers, was observed here and is shown to be a very general property of diffusely scattering surfaces. The light transmitted through the leaves was found to be negatively polarized. The polarization of light scattered from aggregations of leaves is affected by this negatively polarized, transmitted light. The light scattered from the upper leaf surfaces was found to be positively polarized in a manner which could be accounted for quantitatively by specular Fresnel reflection from small, randomly oriented facets on the surfaces of the leaves.

Woessner, Paul↗
DOE OSTI2021

Measurements of nonequilibrium interatomic forces using time-domain x-ray scattering

Here, we demonstrate an experimental approach to determining the excited-state interatomic forces using femtosecond x-ray pulses from an x-ray free-electron laser. We determine experimentally the excited-state interatomic forces that connect photoexcited carriers to the nonequilibrium lattice dynamics in the prototypical Peierls-distorted material, bismuth. The forces are obtained by a constrained least-squares fit of a pairwise interatomic force model to the excited-state phonon dispersion relation as measured by the time- and momentum-resolved x-ray diffuse scattering. We find that photoexcited carriers weaken predominantly the nearest-neighbor forces, which drives the measured softening of the transverse acoustic modes throughout the Brillouin zone as well as the zone-center A 1g optical mode. This demonstrates a bond-selective approach to measuring electron-phonon coupling relevant to a broad range of photoinduced phase transitions and transient light-driven states in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Resonant Soft X-Ray Scattering from Stripe-Ordered La 2 - x Ba x Cu O 4 Detected by a Transition-Edge Sensor Array Detector

Resonant soft x-ray scattering (RSXS) is a leading probe of valence-band order in materials best known for detecting charge-density-wave order in copper-oxide superconductors. One of the biggest limitations on the RSXS technique is the presence of a severe fluorescence background, which, like the RSXS cross section itself, is enhanced under resonant conditions. This background prevents the study of weak signals such as diffuse scattering from glassy or fluctuating order that is spread widely over momentum space. Recent advances in superconducting transition-edge-sensor (TES) detectors have led to major improvements in energy resolution and detection efficiency in the soft x-ray range. Here, we perform a RSXS study of stripe-ordered La 2 - x Ba x Cu O 4 at the Cu L 3 / 2 edge (932.2 eV) using a TES detector with 1.5-eV resolution, to evaluate its utility for mitigating the fluorescence-background problem. We find that, for suitable degree of detuning from the resonance, the TES rejects the fluorescence background, leading to a five to ten times improvement in the statistical quality of the data compared to an equivalent, energy-integrated measurement. We conclude that a TES introduces a promising method to reducing background in RSXS studies and may lead to discoveries in materials exhibiting valence-band order that is fluctuating or glassy.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Radar scatterometry of sand dunes and lava flows

Four frequency like polarized scatterometer data over a sand dune field and a volcanic field were analyzed to understand the scattering characteristics of these two terrain types as a function of frequency and incidence angle. For the frequency range studied (400 MHz to 13.3 GHz) unvegetated sand dunes are specular reflectors that return an echo to the radar antenna particularly when the geometry is such that the dune slope is nearly perpendicular to the antenna. Vegetation on the dunes can cause significant backscatter. Lava flows are strong diffuse scatterers which have backscatter values similar to coniferous forest at certain frequencies. Different observation frequencies are required for different situations. The scatterometer data correlate well with radar images.

Blom, R.↗
DOE OSTI2026

Pervasive symmetry-lowering nanoscale structural fluctuations in the cuprate La 2−𝑥 ⁢Sr 𝑥 ⁢Cu⁢O 4

The cuprate superconductors are among the most widely studied quantum materials, yet there remain fundamental open questions regarding their electronic properties and the role of structural degrees of freedom. Recent neutron and x-ray scattering measurements uncovered exponential scaling with temperature of the strength of orthorhombic fluctuations in the tetragonal phase of La 2−𝑥⁢ Sr 𝑥 ⁢Cu⁢O 4 and Tl 2 ⁢Ba 2 ⁢Cu⁢O 6+𝛿 , unusual behavior that closely resembles prior results for the emergence of superconducting fluctuations, and that points to a common origin rooted in inherent correlated structural inhomogeneity. Here, in this study, we use neutron and x-ray diffuse scattering to provide further insight into structural fluctuations in La 2−𝑥 ⁢Sr 𝑥 ⁢Cu⁢O 4 . We perform measurements up to temperatures that approach the melting point of the undoped parent compound, and we investigate the effects of in situ in-plane uniaxial elastic stress and plastic deformation. Our neutron scattering results for the parent compound La 2 ⁢Cu⁢O 4 reveal that short-range orthorhombic fluctuations persist to the maximum experimental temperature of nearly 1000 K, i.e., to a significant fraction of the crystallization temperature. At this temperature, the spatial characteristic length extracted from the momentum-space data is still about three lattice constants. The neutron scattering experiment enables quasistatic discrimination and reveals that the response is increasingly dynamic at higher temperatures. We also find that neither compressive elastic stress along the tetragonal [110] direction nor irreversible plastic deformation activating the ⟨100⟩⁢[001] slip system significantly alter the robust orthorhombic fluctuations. Overall, these results support the notion that these fluctuations couple to subtle, underlying inhomogeneity that underpins the cuprate phase diagram. Finally, in La 1.8⁢ Sr 0.2⁢ Cu⁢O 4 , we uncover low-energy structural fluctuations at a nominally forbidden reflection that are distinct from the orthorhombic distortions. While the origin of these fluctuations is not clear, they might be related to the presence of extended defects such as dislocations or stacking faults.

Spieker, R. J. [Univ. of Minnesota, Minneapolis, M↗
NASA NTRS1987

Problems and possible solutions involved in hard target calibration of coherent Doppler lidar

The field of radiometry is surveyed with reference to coherent light, since the surfaces to be considered here are irradiated with coherent, polarized light. Definitions of some concepts are modified. In light of these modifications calibration problems are analyzed and solutions suggested. The most important task was to develop hard targets exhibiting minimal specular reflection (mirror-like and retroreflection) and following closely a Lambertian scattering curve. Bistable reflectometer experiments and integrating sphere measurements are used to physically characterize the targets. Optical and electron microscopy are used to physically characterize the targets. Since the BRDF matrix is not measured, this capability must be developed preferably for both bistatic and monostatic reflectometer measurements. The equipment is expensive and not yet developed. Calibration can be simplified if it can be proved that the BRDF matrix is diagonal for a diffuse scatterer.

Anderson, Richard↗