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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Mixed Nd 4+/3+ and Cluster Magnetism in Hexagonal Perovskite 12R-Ba 4 NdMn 3 O 12−γ

Hexagonal perovskite oxides with 12R stacking host well-separated face-sharing octahedral metal trimers with short metal–metal distances, leading in some cases to large degrees of magnetic frustration and cluster magnetism. Introducing magnetic ions in proximity to these trimers can influence the degree of frustration and cluster magnetism, but the extent to which the magnetism can be tuned by varying neighboring metal cations remains an open question. In this work, we test the impacts of using Nd in proximity to Mn trimers in the hexagonal perovskite 12R-Ba 4 NdMn 3 O 12−γ . Given this stoichiometry, Nd should assume the 4+ oxidation state with a spin state of S = 1, which would be the first realization of Nd 4+ in an oxide environment. Through detailed bulk magnetic, X-ray absorption spectroscopic, and powder neutron diffraction (PND) measurements, we find that Nd 4+ is realized in this material, but there is also partial reduction to Nd 3+ , which is charge-balanced by O vacancies. Magnetometry measurements indicate an antiferromagnetic ordering temperature T N ≈ 16 K, and PND measurements reveal a surprising collinear antiferromagnetic structure with magnetic space group Pc2/m (no. 10.49 in BNS notation), which has not previously been seen in this class of materials. Our results represent a comprehensive analysis of the structural, electronic, and magnetic properties of 12R-Ba 4 NdMn 3 O 12−γ , showing the first observation of partial Nd 4+ in an oxide, and demonstrating that this structural class can host a broad range of magnetic structures which are not easily predicted based on compositional trends.

14 SOLAR ENERGY↗
NASA NTRS1972

Optimum detection of an optical image on a photoelectric surface

The detection of an optical image in the presence of uniform background light is based on a likelihood ratio formed of the numbers of photoelectrons emitted from small elements of a photoelectric surface onto which the image is focused. When diffraction is negligible and the surface has unit quantum efficiency, this detector is equipollent with the optimum detector of the image forming light. Its performance is compared with that of the threshold detector and that of a detector basing its decisions on the total number of photoelectrons from a finite area of the image. The illuminance of the image is postulated to have a Gaussian spatial distribution. All three detectors exhibit nearly the same reliability.

Helstrom, C. W.↗
DOE OSTI2026

Data for Magnetic Anisotropy due to Localized Structural Defects in Strained Yttrium Iron Garnet Thin Films

This dataset contains electron microscopy, magnetic, and X-ray diffraction characterization data for YIG/YSGG thin films associated with the manuscript "Magnetic anisotropy due to localized structural defects in strained yttrium iron garnet thin films". Characterizations include: scanning electron nano diffraction (SEND, or 4D-STEM), dark field transmission electron microscopy (DF-TEM), energy dispersive X-ray spectroscopy (EDS), ferrimagnetic resonance (FMR), superconducting quantum interference device (SQUID), scanning transmission electron microscopy (STEM), X-ray diffraction (XRD).

Electron microscopy↗
DOE OSTI2019

Fraunhofer diffraction of a Gaussian beam by a four-sector binary grating with a half period fringes shift between adjacent sectors

The study of Fraunhofer diffraction of a Gaussian laser beam by a computer-generated, binary four-sector grating (FSG) is presented. In the four equal angular sectors of the FSG, parts of a binary rectilinear grating are embedded in such a way that, two neighboring parts are shifted by a half spatial rectilinear grating period. Analytical expressions, describing the diffracted wave field amplitude and intensity distributions in the focal plane of a converging lens, are derived. The zeroth-diffraction-order beam is a Gaussian beam whose transverse cross section has a reduced Gaussian radius. The higher-diffraction-order beam transverse intensity profiles have four bright spots divided by dark crossed lines and a central dark, non-vortex core. They can be described as cosine-Laguerre–Gaussian Kummer beams. The numerically calculated diffraction patterns, as well as the interference patterns of the diffracted beam with a slightly inclined plane wave, are supported by experimentally obtained ones. In both investigations (theoretical and experimental) the interferograms confirm the non-vortex nature of the diffraction spots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Noncollinear Acousto-Optic Filtering of Polychromatic Bessel Light Beams in Uniaxial Crystals

We have studied the features of noncollinear acousto-optic filtering of quasi-nondiffracting Bessel light beams in uniaxial crystals. We have obtained coupled wave equations for the vector amplitudes of an incident ordinary (o-type) Bessel beam and an extraordinary (e-type) diffracted beam for different modes. We have found an expression for the diffraction efficiency as a function of the parameters of interacting ordinary and extraordinary Bessel beams, and also as a function of the values of the overlap integrals. Using the overlap integral method, we have shown that regardless of the mode order for the Bessel light beam, under transverse phase matching conditions for ordinary and extraordinary diffracted Bessel beams in the optical spectral range 0.4–1.1 μm we can achieve a filter transmission bandwidth of ~0.6 nm in paratellurite crystals .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

The Electron‐Density Distribution of UCl 4 and Its Topology from X‐ray Diffraction

Abstract The chemistry of electrons in actinide complexes and materials is still poorly understood and represents a serious challenge and opportunity for experiment and theory. The study of the electron density distribution of the ground state of such systems through X‐ray diffraction represents a unique opportunity to quantitatively investigate different chemical bonding interactions at once, but was considered “almost impossible” on heavy‐atom systems, until very recently. Here, we present a combined experimental and theoretical investigation of the electron density distribution in UCl_ 4 crystals and comparison with the previously reported spin density distribution from polarized neutron diffraction. All approaches provide a consistent picture in terms of electron and spin density distribution, and chemical bond characterization. More importantly, the synergy between experiments and quantum‐mechanical calculations allows to highlight the remarkable sensitivity of X‐ray diffraction to electrons in materials.

Chemistry↗
DOE OSTI2020

Diffraction and photon exchange processes at the LHC and parton saturation

We present a review of the recent theoretical and experimental developments related to the field of diffraction, parton saturation, and forward physics. We first discuss our present understanding of the proton structure in terms of quarks and gluons, the degrees of freedom of quantum chromodynamics. We then focus on some of the main results on diffraction at the HERA electron–proton collider in DESY, Germany, at the Tevatron proton–antiproton collider at Fermilab, Batavia, US, and at the CERN Large Hadron Collider (LHC) proton–proton and nucleus–nucleus collider, which is located in Geneva, Switzerland. We also present a selected amount of results on diffraction and photon exchanges that can be done at the LHC experiments and at a future Electron Ion Collider (EIC) to be built in the US at Brookhaven National Laboratory, New York.

Physics↗
DOE OSTI2021

Optical transient grating pumped X-ray diffraction microscopy for studying mesoscale structural dynamics

Abstract A fundamental understanding of materials’ structural dynamics, with fine spatial and temporal control, underpins future developments in electronic and quantum materials. Here, we introduce an optical transient grating pump and focused X-ray diffraction probe technique (TGXD) to examine the structural evolution of materials excited by modulated light with a precisely controlled spatial profile. This method adds spatial resolution and direct structural sensitivity to the established utility of a sinusoidal transient-grating excitation. We demonstrate TGXD using two thin-film samples: epitaxial BiFeO 3 , which exhibits a photoinduced strain (structural grating) with an amplitude proportional to the optical fluence, and FeRh, which undergoes a magnetostructural phase transformation. In BiFeO 3 , structural relaxation is location independent, and the strain persists on the order of microseconds, consistent with the optical excitation of long-lived charge carriers. The strain profile of the structural grating in FeRh, in comparison, deviates from the sinusoidal excitation and exhibits both higher-order spatial frequencies and a location-dependent relaxation. The focused X-ray probe provides spatial resolution within the engineered optical excitation profile, resolving the spatiotemporal flow of heat through FeRh locally heated above the phase transition temperature. TGXD successfully characterizes mesoscopic energy transport in functional materials without relying on a specific transport model.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Double Bragg Diffraction of Bessel Light Beams on Ultrasound in Uniaxial Gyrotropic Crystals

Noncollinear double acousto-optical diffraction of Bessel light beams on ultrasound in uniaxial gyrotropic crystals is studied theoretically and experimentally. It is found that when a Bessel light beam propagates along the optic axis of a crystal, the diffracted light beams of the ±1 order are symmetric relative to the incident beam and have roughly the same intensity. Double Bragg diffraction is also observed when a Bessel light beam is incident at the Bragg angle and near the optic axis, but the intensities of the +1 and +2 order diffracted beams are significantly different.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Ubiquity of amplitude-modulated magnetic ordering in the H - T phase diagram of the frustrated non-Fermi-liquid YbAgGe

YbAgGe contains a magnetic geometrically frustrated kagome-like lattice that also features significant local single-ion anisotropy. The electronic state is established by hybridization of 4f and conduction electrons leading to heavy electronic masses. The competition between these various interactions leads to nontrivial behavior under external magnetic field, including a sequence of magnetic phase transitions, non-Fermi-liquid states, and possibly a quantum critical point. We present a series of neutron diffraction experiments performed in the mK temperature range and under magnetic fields up to 8 T in the hexagonal plane, revealing the microscopic nature of the first four subsequent magnetic states of this phase diagram. The magnetic phases are associated with the propagation vectors K 1 =($\frac{1}{3}$ 0 $\frac{1}{3}$) for H < 2 T, K 2 = (0 0 0.32) for 2 T < H < 3 T, K 1 = ($\frac{1}{3}$ 0 $\frac{1}{3}$) for 3 T < H < 4.5 T and k 3 = (0.195 0.195 0.38) for 4.5 T < H < 7 T. Our structural refinements reveal a strong modulation of the magnetic moment amplitude in all phases. We observe that the ordered moments of the three magnetically different Yb sites become increasingly different in field, which complies with the principle local anisotropy directions relative to the field direction. While the ordered moments are aligned predominantly in the hexagonal plane, we also find a significant out-of-plane component and a ferromagnetic contribution above 2 T. Here we discuss possible scenarios that may evolve around the phase boundary at 4.5 T, which is associated with putative quantum criticality as identified by various bulk probes. We propose further steps that are required to better understand the microscopic interactions in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

The method of transition boundary for the solution of diffraction problems

A new method, which enables one to solve some diffraction problems, is put forth. The technique is based on a relation between the diffracted and scattered geometric optics waves at the transition boundaries. The concept of initial waves is also used instead of the incident field. The general algorithm of the method is outlined and applied to the diffraction problems of waves by perfect electric conductor half-screen, resistive half-plane and impedance sheet junction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

CENTAUR - The small- and wide-angle neutron scattering diffractometer/spectrometer for the Second Target Station of the Spallation Neutron Source

CENTAUR has been selected as one of the eight initial instruments to be built at the Second Target Station (STS) of the Spallation Neutron Source at Oak Ridge National Laboratory. It is a small-angle neutron scattering (SANS) and wide-angle neutron scattering (WANS) instrument with diffraction and spectroscopic capabilities. This instrument will maximally leverage the high brightness of the STS source, the state-of-the-art neutron optics, and a suite of detectors to deliver unprecedented capabilities that enable measurements over a wide range of length scales with excellent resolution, measurements on smaller samples, and time-resolved investigations of evolving structures. Notably, the simultaneous WANS and diffraction capability will be unique among neutron scattering instruments in the United States. This instrument will provide much needed capabilities for soft matter and polymer sciences, geology, biology, quantum condensed matter, and other materials sciences that need in situ and operando experiments for kinetic and/or out-of-equilibrium studies. Beam polarization and a high-resolution chopper will enable detailed structural and dynamical investigations of magnetic and quantum materials. CENTAUR’s excellent resolution makes it ideal for low-angle diffraction studies of highly ordered large-scale structures, such as skyrmions, shear-induced ordering in colloids, and biomembranes. Additionally, the spectroscopic mode of this instrument extends to lower momentum transfers than are currently possible with existing spectrometers, thereby providing a unique capability for inelastic SANS studies.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

X-ray magnetic diffraction under high pressure

Advances in both non-resonant and resonant X-ray magnetic diffraction since the 1980s have provided researchers with a powerful tool for exploring the spin, orbital and ion degrees of freedom in magnetic solids, as well as parsing their interplay. Here, we discuss key issues for performing X-ray magnetic diffraction on single-crystal samples under high pressure (above 40 GPa) and at cryogenic temperatures (4 K). We present case studies of both non-resonant and resonant X-ray magnetic diffraction under pressure for a spin-flip transition in an incommensurate spin-density-wave material and a continuous quantum phase transition of a commensurate all-in–all-out antiferromagnet. Both cases use diamond-anvil-cell technologies at third-generation synchrotron radiation sources. In addition to the exploration of the athermal emergence and evolution of antiferromagnetism discussed here, these techniques can be applied to the study of the pressure evolution of weak charge order such as charge-density waves, antiferro-type orbital order, the charge anisotropic tensor susceptibility and charge superlattices associated with either primary spin order or softened phonons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Generation of spiraling Bessel beams from dark/antidark Gaussian beams diffracted by a curved fork-shaped hologram

In this paper, we present a theoretical study on the generation of spiraling Bessel beams by illuminating a curved fork-shaped hologram (CFH) by spatially coherent dark/antidark Gaussian beams. The amplitude expression of the generated spiraling Bessel beam is obtained by using the framework of the Fresnel diffraction approach and by means of the stationary phase method. Numerical calculations show that upon propagating, the longitudinal intensity of the generated field reaches a threshold maximum value at a distance z{sub max}. It is demonstrated that z{sub max} increases with the increasing of the topological charge p and the order m. The result corresponding to the incident Gaussian beam diffracted by CFH is obtained as a particular case of this study.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Epitaxial integration of superconducting nitrides with cubic GaN

Epitaxial combination of transition metal nitrides and group III-nitrides holds significant potential for novel device architectures, given their wide array of properties and similar lattice constants. However, the mixture of hexagonal and cubic crystals limits structural quality and has stymied development. This work will discuss the molecular beam epitaxy synthesis of metastable cubic GaN on 3C-SiC templates and its integration with cubic ZrN and NbN superconductors in single and multilayer heterostructures. The fully cubic nature of GaN and the epitaxial nature of all layers are confirmed via in situ and ex situ techniques. The electrical transport properties of transition metal nitrides on cubic GaN (001) are compared to those grown directly on 3C-SiC (001) and c-plane hexagonal GaN templates. The determination of a similar growth window for cubic wide-bandgap and superconducting metal nitrides creates a platform for new epitaxial device architectures and potential applications in metamaterials, quantum information science, and condensed matter physics.

Condensed matter physics↗
NASA NTRS2003

Studies of Atomic Free Radicals Stored in a Cryogenic Environment

Impurity-Helium Solids are porous gel-like solids consisting of impurity atoms and molecules surrounded by thin layers of solid helium. They provide an ideal medium for matrix isolation of free radicals to prevent recombination and store chemical energy. In this work electron spin resonance, nuclear magnetic resonance, X-ray diffraction, and ultrasound techniques have all been employed to study the properties of these substances. Detailed studies via electron spin resonance of exchange tunneling chemical reactions involving hydrogen and deuterium molecular and atomic impurities in these solids have been performed and compared with theory. Concentrations of hydrogen approaching the quantum solid criterion have been produced. Structured studies involving X ray diffraction, ultrasound, and electron spin resonance have shown that the impurities in impurity helium solids are predominantly contained in impurity clusters, with each cluster being surrounded by thin layers of solid helium.

Lee, David M.↗
DOE OSTI2019

On the Conversion of Bauxite Ores to Highly Activated Alumina Media for Water Remediation

Good quality drinking water is necessary to maintain a high quality of life. Millions lack access to clean and safe drinking water, and current trends suggest that billions will face acute water shortages in the coming decades. Development of new materials has led to technological impacts on water purification, from desalination membranes to atmospheric water scavenging. However, the most challenging aspect of technological solutions is cost: if the community being serviced cannot afford the solution, it is not likely to be sustainable. Repurposing Earth-abundant materials to replace highly engineered solutions is an atractive solution. Herein, minimal processing of bauxite rocks produces a high-porosity and reactive activated alumina in situ, without purification directly from the ore. This acid-treated, thermally activated bauxite (ATAB) exhibits a high surface area of 401 ± 6 m 2 g -1 , a 40-fold increase relative to its parent ore, and a 2× increase relative to the state-of-the-art fluoride adsorbent, activated alumina. The composition, preparation, and mechanism of adsorption are studied by X-ray diffraction, X-ray photoelectron spectroscopy, and multiple-quantum magic-angle spinning 27 Al nuclear magnetic resonance (NMR). Finally, the maximum adsorption density of ATAB is comparable with that of activated alumina, but ATAB requires fewer processing steps, thus warranting future consideration as a primary adsorbent of choice for fluoride removal from water.

36 MATERIALS SCIENCE↗