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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Manipulation of the orbital angular momentum of soft X-ray beams by consecutive diffractive optics

Production and manipulation of orbital angular momentum (OAM) of coherent soft X-ray beams is demonstrated utilizing consecutive diffractive optics. OAM addition is observed upon passing the beam through consecutive fork gratings. Here, the OAM of the beam was found to be decoupled from its spin angular momentum (SAM). Practical implementation of angular momentum control by consecutive devices in the X-ray regime opens new experimental opportunities, such as direct measurement of the beam’s OAM without resorting to phase-sensitive techniques, including holography. OAM analyzers utilizing fork gratings can be used to characterize the beams produced by synchrotron and free electron lasers sources; they can also be used in scattering experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Supporting Data for "On the magnetic contribution of itinerant electrons to neutron diffraction in the topological antiferromagnet CeAlGe"

Contents of this DOI are data for the research paper "On the magnetic contribution of itinerant electrons to neutron diffraction in the topological antiferromagnet CeAlGe" by the authors: V. Pomjakushin et al. The dataset contains raw data from neutron scattering experiments of CeAlGe powder performed at the CNCS spectrometer at Spallation Neutron Source at ORNL.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Energy Dispersive X-ray Diffraction (EDXRD) of Li1.1V3O8 Electrochemical Cell

ABSTRACT In this study, we conducted the first energy dispersive x-ray diffraction (EDXRD) experiments on Li/Li 1.1 V 3 O 8 coin cells discharged to different lithiation levels in order to investigate the phase transitions upon electrochemical reduction. The phase transformation from layered Li-poor α to Li-rich α to defect rock-salt β phase was confirmed with cells of different lithiation stages. No spatial localization of phase formation was observed throughout the cathodes under the conditions of this measurement.

Zhang, Qing↗
DOE OSTI2018

In situ neutron diffraction study on tensile deformation behavior of carbon-strengthened CoCrFeMnNi high-entropy alloys at room and elevated temperatures

In this paper, carbon is doped into a CoCrFeMnNi high-entropy alloy as an interstitial atom, improving the single phase solid solution alloy with a good combination of strength and ductility at room temperature by introducing deformation twins. In situ neutron diffraction (ND) is applied to investigate the carbon-doped CoCrFeMnNi deformation mechanism and micromechanical behaviors during uniaxial tension at room and elevated temperatures. With in situ results accompanied with the microstructure and texture measurement, it is found that the plastic deformation is dominated by dislocation slip at an early stage at both temperatures. However, at high strain level, deformation is mediated simultaneously by deformation twins and microbands at room temperature, while it is governed solely by microbands at elevated temperature of 573 K. The evolution of lattice strain, peak intensity, and peak width from in situ ND elucidates the micromechanical behaviors regarding the role of slips and twins. Finally, the texture represented by orientation distribution function indicates that the initial specimen possesses a relatively strong {112} <110> texture component, and the room-temperature tension deformed texture comprises of slip-induced fiber texture and twinning-induced {115} <552> texture component.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dynamic structural views in solar energy materials by femtosecond electron diffraction

Solar materials convert light into other forms of energy through excited state processes occurring on ultrafast time and atomic length scales. Understanding and controlling such nonequilibrium processes is essential for applications ranging from photovoltaics to photocatalysis. These processes are commonly studied by transient optical techniques, which resolve charge carrier dynamics. However, optical spectroscopy does not directly probe the atomic-scale motions that play a central role in the ultimate functionality of these materials. Filling this missing gap, ultrafast electron and x-ray scattering techniques enable monitoring of structural dynamics in materials with femtosecond time resolution. In this work, we focus on the use of ultrafast electron diffraction (UED) techniques to probe photoinduced energy conversion dynamics in solar energy materials. First, we discuss the use of UED as an ultrafast lattice thermometer allowing a direct probe of nonradiative relaxations such as hot carrier cooling and Auger recombination. Second, we present a time-resolved atomic pair distribution function analysis enabled by UED, which uncovers lattice deformations arising from excitation localization in materials. Finally, we provide an outlook looking toward new approaches for resolving in situ energy conversion dynamics and uncovering structure–property relationships in solar energy materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Measurement of differential cross sections for single diffractive dissociation in s = 8 TeV p p collisions using the ATLAS ALFA spectrometer

A dedicated sample of Large Hadron Collider proton-proton collision data at centre-of-mass energy s√=8 TeV is used to study inclusive single diffractive dissociation, pp→Xp. The intact final-state proton is reconstructed in the ATLAS ALFA forward spectrometer, while charged particles from the dissociated system X are measured in the central detector components. Cross sections are measured differentially as functions of the proton fractional energy loss ξ, the squared four-momentum transfer t, and Δη, a variable that characterises the rapidity gap separating the proton and the system X. The data are consistent with an exponential t dependence, dσ/dt∝eBt with slope parameter B=7.65±0.34 GeV−2. Interpreted in the framework of Regge phenomenology, the ξ dependence leads to a pomeron intercept of α(0)=1.07±0.09.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Equation of state and hyperfine parameters of high-spin bridgmanite in the Earth’s lower mantle by synchrotron X-ray diffraction and Mössbauer spectroscopy

In this study, we performed synchrotron X-ray diffraction (XRD) and Mössbauer spectroscopy (SMS) measurements on two single-crystal bridgmanite samples [ Embedded Image and Embedded Image ] to investigate the combined effect of Fe and Al on the hyperfine parameters, lattice parameters, and equation of state (EoS) of bridgmanite up to 130 GPa. Our SMS results show that Fe2+ and Fe3+ in Bm6 and Al-Bm11 are predominantly located in the large pseudo-dodecahedral sites (A-site) at lower-mantle pressures. The observed drastic increase in the hyperfine quadrupole splitting (QS) between 13 and 32 GPa can be associated with an enhanced local distortion of the A-site Fe2+ in Bm6. In contrast to Bm6, the enhanced lattice distortion and the presence of extremely high QS values of Fe2+ are not observed in Al-Bm11 at high pressures. Our results here support the notion that the occurrence of the extremely high QS component of approximately 4 mm/s in bridgmanite is due to the lattice distortion in the high-spin (HS) A-site Fe2+, instead of the occurrence of the intermediate-spin state. Both A-site Fe2+ and Fe3+ in Bm6 and Al-Bm11 remain in the HS state at lower-mantle pressures. Together with XRD results, we present the first experimental evidence that the enhanced lattice distortion of A-site Fe2+ does not cause any detectable variation in the EoS parameters, but is associated with anomalous variations in the bond length, tilting angle, and shear strain in the octahedra of Bm6. Analysis of the obtained EoS parameters of bridgmanite at lower-mantle pressures indicates that the substitution of Fe in bridgmanite will cause an enhanced density and a reduced bulk sound velocity (VΦ), whereas the Al and Fe substitution has a reduced effect on density and a negligible effect on VΦ. These experimental results provide new insight into the correlation between lattice, hyperfine, and EoS parameters of bridgmanite in the Earth’s lower mantle.

58 GEOSCIENCES↗
DOE OSTI2023

Single-crystal X-ray diffraction of fluorapatite to 61 GPa

Apatite is a mineral of widespread importance in Earth and planetary science. Here we examine the behavior of a natural fluorapatite (FAp) crystal from Durango (Mexico) under compression to 61 GPa. Single-crystal X-ray diffraction experiments were carried out in a diamond-anvil cell using a synchrotron source. The apatite structure persists up to 32.4 GPa. Birch-Murnaghan equation of state parameters were fit to the pressure-volume data for fluorapatite for two cases: fixing V 0 at its measured ambient value resulted in a bulk modulus, K 0T , of 97.0(8) GPa and a pressure derivative of the bulk modulus, K' 0T , of 3.3(1), while fixing V 0 and K 0T at its ambient value 90.5 GPa (derived from ultrasonically measured elastic constants) resulted in a K' 0T value of 4.1(1). At 35.6 GPa, fluorapatite transforms to a triclinic phase (P$\bar{1}$, Z = 4), designated here as fluorapatite II (FAp-II). This phase persists up to at least 61 GPa. The major structural differences between FAp and FAp-II involve the buckling of the Ca polyhedra along the c-axis and changes in the number and coordination of the Ca sites. Furthermore, our study extends the pressure range over which fluorapatite has been examined by more than a factor of three, providing new insights into its structural response to high-pressure conditions.

58 GEOSCIENCES↗
DOE OSTI2023

Atomistic insight into the ferroelastic post-stishovite transition by high-pressure single-crystal X-ray diffraction

Abstract The post-stishovite transition is a classic pseudo-proper typed ferroelastic transition with a symmetry-breaking spontaneous strain. This transition has been studied using high-pressure spontaneous strains, optic modes, and elastic moduli (Cij) based on the Landau modeling, but its atomistic information and structural distortion remain poorly understood. Here we have conducted synchrotron single-crystal X-ray diffraction measurements on stishovite crystals up to 75.3 GPa in a diamond-anvil cell. Analysis of the data reveals atomic positions, bond lengths, bond angles, and variations of SiO6 octahedra across the transition at high pressure. Our results show that the O coordinates split at ~51.4 GPa, where the apical and equatorial Si-O bond lengths cross over, the SiO6 octahedral distortion vanishes, and the SiO6 octahedra start to rotate about the c axis. Moreover, distortion mode analysis shows that an in-plane stretching distortion (GM1+ mode) occurs in the stishovite structure at high pressure while a rotational distortion (GM2+ mode) becomes dominant in the post-stishovite structure. These results are used to correlate with elastic moduli and Landau parameters (symmetry-breaking strain e1–e2 and order parameter Q) to provide atomistic insight into the ferroelastic transition. When the bond lengths of two Si-O bonds are equal due to the contribution from the GM1+ stretching mode, C11 converges with C12, and the shear wave VS1[110] polarizing along [110] and propagating along [110] vanishes. Values of e1–e2 and Q are proportional to the SiO6 rotation angle from the occurrence of the GM1+ rotational mode in the post-stishovite structure. Our results on the pseudo-proper type transition are also compared with that for the proper type in albite and improper type in CaSiO3 perovskite. The symmetry-breaking strain, in all these types of transitions, arises as the primary effect from the structural angle (such as SiO6 rotation or lattice constant angle) and its relevant distortion mode in the low-symmetry ferroelastic phase.

Geochemistry & Geophysics↗
DOE OSTI2023

Thermal equation of state of ice-VII revisited by single-crystal X-ray diffraction

Abstract Ice-VII is a high-pressure polymorph of H2O ice and an important mineral widely present in many planetary environments, such as in the interiors of large icy planetary bodies, within some cold subducted slabs, and in diamonds of deep origin as mineral inclusions. However, its stability at high pressures and high temperatures and thermoelastic properties are still under debate. In this study, we synthesized ice-VII single crystals in externally heated diamond-anvil cells and conducted single-crystal X-ray diffraction experiments up to 78 GPa and 1000 K to revisit the high-pressure and high-temperature phase stability and thermoelastic properties of ice-VII. No obvious unit-cell volume discontinuity or strain anomaly of the high-pressure ice was observed up to the highest achieved pressures and temperatures. The volume-pressure-temperature data were fitted to a high-temperature Birch-Murnaghan equation of state formalism, yielding bulk modulus KT0 = 21.0(4) GPa, its first pressure derivative KT0′ = 4.45(6), dK/dT = –0.009(4) GPa/K, and thermal expansion relation αT = 15(5) × 10–5 + 15(8) × 10–8 × (T – 300) K–1. The determined phase stability and thermoelastic properties of ice-VII can be used to model the inner structure of icy cosmic bodies. Combined with the thermoelastic properties of diamonds, we can reconstruct the isomeke P-T paths of ice-VII inclusions in diamond from depth, offering clues on the water-rich regions in Earth’s deep mantle and the formation environments of those diamonds.

Geochemistry & Geophysics↗
DOE OSTI2024

Single-crystal X-ray diffraction on the structure of (Al,Fe)-bearing bridgmanite in the lower mantle

Abstract Here we have performed single-crystal X-ray diffraction (SCXRD) experiments on two high-quality crystal platelets of (Al,Fe)-bearing bridgmanite (Mg0.88Fe0.0653+Fe0.0352+Al0.03)(Al0.11Si0.90)O3 (Fe10-Al14-Bgm) up to 64.6(6) GPa at room temperature in a Boehler-Almax type diamond-anvil cell. Refinements on the collected SCXRD patterns reveal reliable structural information of single-crystal Fe10-Al14-Bgm, including unit-cell parameters, atomic coordinates, and anisotropic displacement parameters. Together with Mössbauer and electron microprobe analyses, our best single-crystal refinement model indicates that the sample contains ~6.5 mol% Fe3+, 3.5 mol% Fe2+, and 3 mol% Al3+ in the large pseudo-dodecahedral site (A site), and ~11 mol% Al3+ in the small octahedral site (B site). This may indicate that Al3+ in bridgmanite preferentially occupies the B site. Our results show that the compression of Fe10-Al14-Bgm with pressure causes monotonical decreases in the volumes of AO12 pseudo-dodecahedron and BO6 octahedron (VA and VB, respectively) as well as the associated A-O and B-O bond lengths. The interatomic angles of B-O1-B and B-O2-B decrease from 145.2–145.8° at 4.2(1) GPa to 143.3–143.5° at 64.6(6) GPa. Quantitative calculations of octahedral tilting angles (Ф) show that Ф increases smoothly with pressure. We found a linear relationship between the polyhedral volume ratio and the Ф in the bridgmanite with different compositions: VA/VB = –0.049Φ + 5.549. Our results indicate an increased distortion of the Fe10-Al14-Bgm structure with pressure, which might be related to the distortion of A-site Fe2+. The local environmental changes of A-site Fe2+ in bridgmanite could explain previous results on the hyperfine parameters, abnormal lattice thermal conductivity, mean force constant of iron bonds and other physical properties, which in turn provide insights into our understanding on the geophysics and geochemistry of the planet.

Geochemistry & Geophysics↗
DOE OSTI2017

Diffraction Contrast Tomography: A Novel 3D Polycrystalline Grain Imaging Technique

Diffraction contrast tomography (DCT) is a non-destructive way of imaging microstructures of polycrystalline materials such as metals or crystalline organics. It is a useful technique to map 3D grain structures as well as providing crystallographic information such as crystal orientation, grain shape, and strain. Understanding the internal microstructure of a material is important in understanding the bulk material properties. This report gives a general overview of the similar techniques, DCT data acquisition, and analysis processes. Following the short literature review, potential work and research at Los Alamos National Laboratory (LANL) is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Measurement and Interpretation of Diffuse Scattering in X-Ray Diffraction for Macromolecular Crystallography

X-ray diffraction from macromolecular crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering reflects the mean electron density in the unit cells of the crystal. The diffuse scattering arises from correlations in the variations of electron density that may occur from one unit cell to another, and therefore contains information about collective motions in proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Ultra-low Emittance Photocathodes for Accelerators and Femtosecond Electron Diffraction

To advance low emittance photocathodes suitable for accelerators and ultrafast electron diffraction the following directions have been investigated: 1) growth and characterization of alkali photocathodes in the new regime where their intrinsic emittance is limited by the material lattice temperature; 2) extending Monte Carlo electron transport modeling in photocathodes to cryogenic temperatures; 3) numerical simulations of sharp photo-emitting tips that enhance the electric field available; and 4) exploration of new protective coatings on III-V semiconductor photocathodes as robust high efficiency low-emittance sources of electrons. The key results achieved in these four areas as enabled by this grant are highlighted in this final technical report.

42 ENGINEERING↗
DOE OSTI2019

Understanding the U 3 Si 2 crystal structure evolution as a function of temperature by neutron diffraction and simulation

U 3 Si 2 is actively researched as an accident tolerant fuel. Detailed knowledge of the crystal structure evolution, including knowledge of the anisotropic tetragonal lattice parameters, as a function of temperature and chemical composition is of paramount importance for predictions ranging from thermo-mechanical stresses to phase transformations to crystal lattice sites of fission products. Knowledge of the stability range of U 3 Si 2 is of great importance to understand whether changes of the stoichiometry, either from burn-up or due to synthesis variations, will lead to undesirable phase decomposition. To investigate these topics, stoichiometric U3Si2.00 and hyper-stoichiometric U 3 Si 2.01 were synthesized and characterized at ambient conditions and up to 1150°C using time-of-flight neutron diffraction on the HIPPO instrument at the Los Alamos Neutron Science Center (LANSCE) at LANL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Developing inductively driven diagnostic X-ray sources to enable transformative radiography and diffraction capabilities on Z

Penetrating X-rays are one of the most effective tools for diagnosing high energy density experiments, whether through radiographic imaging or X-ray diffraction. To expand the X-ray diagnostic capabilities at the 26-MA Z Pulsed Power Facility, we have developed a new diagnostic X-ray source called the inductively driven X-pinch (IDXP). This X-ray source is powered by a miniature transmission line that is inductively coupled to fringe magnetic fields in the final power feed. The transmission line redirects a small amount of Zs magnetic energy into a secondary cavity where 150+ kA of current is delivered to a hybrid X-pinch. In this report, we describe the multi-stage development of the IDXP concept through experiments both on Z and in a surrogate setup on the 1 MA Mykonos facility. Initial short-circuit experiments to verify power ow on Z are followed by short-circuit and X-ray source development experiments on Mykonos. The creation of a radiography-quality X-pinch hot spot is verified through a combination of X-ray diode traces, laser shadowgraphy, and source radiography. The success of the IDXP experiments on Mykonos has resulted in the design and fabrication of an IDXP for an upcoming Z experiment that will be the first-ever X-pinch fielded on Z. We have also pursued the development of two additional technologies. First, the extended convolute post (XCP) has been developed as an alternate method for powering diagnostic X-pinches on Z. This concept, which directly couples the current owing in one of the twelve Z convolute posts to an X-pinch, greatly increases the amount of available current relative to an IDXP (900 kA versus 150 kA). Initial short-circuit XCP experiments have demonstrated the efficacy of power ow in this geometry. The second technology pursued here is the inductively driven transmission line (IDTL) current monitor. These low-current IDTLs seek to measure the current in the final power feed with high fidelity. After three generations of development, IDTL current monitors frequently return cleaner current measurements than the standard B-dot sensors that are fielded on Z. This is especially true on high-inductance experiments where the harshest conditions are created in the nal power feed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗