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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Analysis of X-ray images and spectra (aXis2000): A toolkit for the analysis of X-ray spectromicroscopy data

Spectromicroscopy refers to analytical methods that combine imaging and spectroscopy to provide detailed, spatially resolved analytical information about a sample, such as the type and quantitative spatial distributions of chemical components, geometric or magnetic alignment information, crystal structure, etc. The analysis of X-ray images and spectra (aXis2000) software described in this work provides a set of routines within a single, integrated, graphical-oriented package to read, display, manipulate and analyze spectromicroscopy data, with particular focus on soft X-ray spectromicroscopy methods such as scanning transmission X-ray microscopy (STXM), X-ray photoemission electron microscopy (XPEEM), scanning photoelectron X-ray microscopy (SPEM) and transmission X-ray microscopy (TXM). Here, this free software is described and compared to other software that can provide similar or complementary capabilities. Examples of spectromicroscopic analyses using advanced features of aXis2000 are provided.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Possible continuous transition from fractional quantum Hall to stripe phase at ν e = 7 / 3

We study the phase diagram of the ν e = 7/3 state in the N=1 Landau level in the presence of band mass anisotropy. Using the density matrix renormalization group on an infinite cylinder geometry, we find a continuous transition from the topologically ordered Laughlin fractional quantum Hall state to a stripe phase with a period of approximately five and a half magnetic lengths. The transition is driven by the condensation of the magnetoroton mode which becomes gapless at the critical point. We interpret the transition within the composite-boson theory as the onset of stripe order in a superfluid background, resulting from the roton mode going soft.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Unveiling the Emergent Traits of Chiral Spin Textures in Magnetic Multilayers

Abstract Magnetic skyrmions are topologically wound nanoscale textures of spins whose ambient stability and electrical manipulation in multilayer films have led to an explosion of research activities. While past efforts focused predominantly on isolated skyrmions, recently ensembles of chiral spin textures, consisting of skyrmions and magnetic stripes, are shown to possess rich interactions with potential for device applications. However, several fundamental aspects of chiral spin texture phenomenology remain to be elucidated, including their domain wall (DW) structure, thermodynamic stability, and morphological transitions. Here the evolution of these textural characteristics are unveiled on a tunable multilayer platform—wherein chiral interactions governing spin texture energetics can be widely varied—using a combination of full‐field electron and soft X‐ray microscopies with numerical simulations. With increasing chiral interactions, the emergence of Néel helicity, followed by a marked reduction in domain compressibility, and finally a transformation in the skyrmion formation mechanism are demonstrated. Together with an analytical model, these experiments establish a comprehensive microscopic framework for investigating and tailoring chiral spin texture character in multilayer films.

36 MATERIALS SCIENCE↗
DOE OSTI2021

X-ray Studies of the CDW Ground State and Excitations in High- T C Cuprates

We report charge density wave (CDW) in high-T C cuprates has drawn a lot of attention in the field. In this article, we review some of our recent x-ray studies about the ground state and the excitation spectrum of the CDW. Using high magnetic field to suppress the superconductivity, a three-dimensionally-ordered charge stripe state emerges in YBa 2 Cu 3 O 6+x at low temperatures, which arguably bears the characteristics of the CDW ground state. Regarding excitation spectrum, we utilized the state-of-the-art soft x-ray resonant inelastic scattering (RIXS) and found signatures of dispersive CDW excitations which manifest as some form of interference with the RIXS phonon excitations. This observation provides a new perspective to study the relationship between the CDW, the superconductivity and the putative quantum criticality inside the superconducting dome of the cuprate phase diagram. Within this context, relevant recent experimental studies are also briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Variation of Aliphatic Diisocyanates in Bio-Based TPUs

The utilization of bio-based materials for polymer production poses a challenge to both the industrial and academic sectors due to the availability and production costs of the necessary raw materials. Diisocyanates necessary for polyurethane synthesis have posed a particular challenge, given the paucity of natural diamine precursors for traditional phosgenation. We recently developed a phosgene-free flow chemistry methodology that allows for the safe, efficient, and scalable preparation of diisocyanates from naturally produced diacids. This chemistry broadens the potential for the development of renewable diisocyanates for a broad variety of applications. Here, we expand upon this work by demonstrating the scaled production of a panel of bio-based linear, aliphatic diisocyanates, with chain lengths ranging from four to eight carbons in good yields of 57–81% and high purity (~97%). Furthermore, these are applied to the synthesis of thermoplastic polyurethanes (TPUs) containing up to a 100% renewable carbon content. TPUs formulated using shorter carbon-chained diisocyanates displayed a higher tensile strength compared to those formulated using longer chains. Ready access to diisocyanates of varying chain length affords the ability to tailor TPU properties through careful selection of the diisocyanate, polyol, and chain extender, offering hard and soft TPUs for multiple end-use applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Investigations into Spin- and Unpolarized Secondary Electron-Induced Reactions in Self-Assembled Monolayers of Cysteine

Cysteine is the simplest thiolated, chiral amino acid and is often used as the anchor for studies of self-assembled monolayers (SAMs) of complex biomolecules such as peptides. Understanding the interaction of SAMs of cysteine with low-energy secondary electrons (SEs) produced by X-rays can further our understanding of radiation damage in biomolecules. In particular, if the electrons are polarized, chiral-selective chemistry could have bearing on the origin of homochirality in nature. In the present paper, we use synchrotron radiation-based X-ray photoelectron spectroscopy to determine the changes that occur in the bonding of self-assembled layers of cysteine on gold as a result of soft X-ray irradiation. To investigate the possibility of chiral selectivity resulting from the interaction of low-energy, spin-polarized SEs (SPSEs), measurements were conducted on cysteine adsorbed on a 3 nm-thick gold layer deposited on a CoPt thin-film multilayer with perpendicular magnetic anisotropy. Time-dependent measurements of the C 1s, N 1s, O 1s, S 2p, and Au 4f core levels are used to follow the changes in surface chemistry and determine reaction cross-sections as a function of SE exposure. Analysis of the data results in cross-sections in the range of 5-7 Mb and suggests possible reaction pathways. Changing the magnetization direction of the CoPt multilayer produces SPSEs with opposite polarity. Some evidence of spin-dependent reactions is indicated but is inconclusive. Possible reasons for the discrepancy are posited.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Twist again: Dynamically and reversibly controllable chirality in liquid crystalline elastomer microposts

Photoresponsive liquid crystalline elastomers (LCEs) constitute ideal actuators for soft robots because their light-induced macroscopic shape changes can be harnessed to perform specific articulated motions. Conventional LCEs, however, do not typically exhibit complex modes of bending and twisting necessary to perform sophisticated maneuvers. Here, we model LCE microposts encompassing side-chain mesogens oriented along a magnetically programmed nematic director, and azobenzene cross-linkers, which determine the deformations of illuminated posts. On altering the nematic director orientation from vertical to horizontal, the post’s bending respectively changes from light-seeking to light-avoiding. Moreover, both modeling and subsequent experiments show that with the director tilted at 45°, the initially achiral post reversibly twists into a right- or left-handed chiral structure, controlled by the angle of incident light. We exploit this photoinduced chirality to design “chimera” posts (encompassing two regions with distinct director orientations) that exhibit simultaneous bending and twisting, mimicking motions exhibited by the human musculoskeletal system.

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

Bulk and Nanocrystalline Cesium Lead-Halide Perovskites as Seen by Halide Magnetic Resonance

Lead-halide perovskites increasingly mesmerize researchers because they exhibit a high degree of structural defects and dynamics yet nonetheless offer an outstanding (opto)electronic performance on par with the best examples of structurally stable and defect-free semiconductors. This highly unusual feature necessitates the adoption of an experimental and theoretical mindset and the reexamination of techniques that may be uniquely suited to understand these materials. Surprisingly, the suite of methods for the structural characterization of these materials does not commonly include nuclear magnetic resonance (NMR) spectroscopy. The present study showcases both the utility and versatility of halide NMR and NQR (nuclear quadrupole resonance) for probing the structure and structural dynamics of CsPbX 3 (X = Cl, Br, I), in both bulk and nanocrystalline forms. The strong quadrupole couplings, which originate from the interaction between the large quadrupole moments of, e.g., the 35 Cl, 79 Br, and 127 I nuclei, and the local electric-field gradients, are highly sensitive to subtle structural variations, both static and dynamic. The quadrupole interaction can resolve structural changes with accuracies commensurate with synchrotron X-ray diffraction and scattering. It is shown that space-averaged site-disorder is greatly enhanced in the nanocrystals compared to the bulk, while the dynamics of nuclear spin relaxation indicates enhanced structural dynamics in the nanocrystals. The findings from NMR and NQR were corroborated by ab initio molecular dynamics, which point to the role of the surface in causing the radial strain distribution and disorder. These findings showcase a great synergy between solid-state NMR or NQR and molecular dynamics simulations in shedding light on the structure of soft lead-halide semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Soft Switching Over the Entire Line Cycle for a Quadruple Active Bridge DCX in a DC to Three-Phase AC Module

This paper is focused on a transformer-isolated quadruple active bridge (QAB) dc-dc converter loaded by three full-bridge dc-ac inverters. The QAB functions as a "DC trans-former" (DCX) in the dc-to-three-phase ac module. The QAB outputs provide time-varying power at twice the line frequency, which presents challenges in maintaining zero voltage switching (ZVS) on the secondary sides during low-power portions of the line cycle. It is shown how ZVS can be achieved in a phase, even at zero-power transfer, using a relatively small circulating current provided by the magnetizing inductance of the high-frequency transformer. The approach is particularly effective in high-voltage applications using SiC MOSFETs, where reductions in switching loss outweigh additional conduction losses due to the circulating currents. A detailed analysis of ZVS switching waveforms at the zero power transfer is presented, including effects of nonlinear device capacitances. Analytical expressions are given for the optimal values of the magnetizing inductance and dead times of the QAB primary and secondary bridges. The approach is verified by experimental results on a 600 V, 4 kW prototype, demonstrating greater than 98.5% efficiency from 1 kW to 4 kW, with a peak efficiency of 99.0%. Compared to conventionally operated prototype, a 54% reduction in total loss is achieved at rated power.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

Device Voltage Stress from Ground Leakage Current in Medium-Voltage Solid-State Transformer

Grounding related issues are critical for safe and reliable operation of solid-state transformer (SST) in medium-voltage (MV) applications, e.g., solar photovoltaic and energy storage integration, date center, electric vehicle fast charging, etc. This article presents for the first time the issue of additional device voltage stress due to grounding-loop current in current-source SST, using the soft-switching solid-state transformer (S4T) as an example. The S4T features single-stage isolated AC-AC, AC-DC, or DC-DC conversion with full-range ZVS, derived from flyback converter or current-source converter (CSC). However, the flyback operation for CSC-based SST means that magnetizing current flows through the reverse-blocking devices on only one side of the medium-frequency transformer (MFT) at a time. Then, the voltages across the devices, especially those on the other side of the MFT, can be influenced by parasitic current. A parasitic model of a modular S4T (M-S4T) prototype is developed from direct measurements and datasheets. Using the developed parasitic model and equivalent circuits, the causes of the voltage stress are analyzed. A voltage-stress mitigation scheme of connecting additional grounding capacitors is proposed. Damping resistors are also installed to damp out the grounding-loop resonance. A robust parameter design of the proposed scheme is given. The existence of the voltage stress issue and the effectiveness of the proposed scheme are verified experimentally on an MV SiC M-S4T prototype with inherent parameter variations among the five modules in the prototype. Here, both single-module and stacked-module operation are demonstrated during steady state and dynamic conditions up to 4 kV peak.

42 ENGINEERING↗
DOE OSTI2021

Soft X-ray measurements of transport and MHD activity in the core and edge NSTX plasma (Final Technical Report)

A comprehensive suite of innovative diagnostic instrumentation and techniques has been developed by the Johns Hopkins collaboration for measurements of transport and MHD activity in the core and edge of the National Spherical Torus Experiment (NSTX) at the Princeton Plasma Physics Laboratory (PPPL). These include ultrafast multi-energy poloidal soft X-ray arrays, high spatial resolution multi-energy tangential soft X-ray arrays, high spectral resolution transmission grating imaging VUV spectrometers and ultrafast bolometric arrays, which measure over a broad range of spatial, spectral, and temporal scales the emission from ohmic, RF, and beam driven NSTX plasmas. The instrumentation was designed to fulfill the specific measurement needs of the Spherical Torus (ST) magnetic fusion concept and is accompanied by a comprehensive set of numerical tools for data analysis and modeling, aimed at determining as many as possible plasma parameters and at extracting as much as possible physics information from NSTX experiments. The Johns Hopkins diagnostics have been and continue to be instrumental for essentially all the NSTX experiments. In addition, our own research and experiments using these diagnostics has led over the years to fundamental conclusions for the ST fusion physics, such as the establishment of near neoclassical impurity transport in the NSTX core and edge plasma, and the critical role of the Global Alfven Eigenmode (GAE) MHD activity for the ST core electron thermal transport. The Johns Hopkins Diagnostics continue to be operational on the upgraded NSTX-U and will provide key plasma information in its upcoming high field, current and power experimental campaigns. The present report summarizes the main technical characteristics and measurement capabilities of the diagnostic instrumentation and methods developed within our research and describes a key physics result achieved during this research. Success in our research was made possible also by the excellent support and cooperation of the NSTX research team and of PPPL researchers, who are warmly acknowledged here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Soft X-Ray Spectroscopy of Low-Valence Nickelates

Low-valence nickelates—including infinite-layer (IL) and trilayer (TL) compounds—are longstanding candidates for mimicking the high-temperature superconductivity of cuprates. A recent breakthrough in the field came with the discovery of superconductivity in hole-doped IL nickelates. Yet, the degree of similarity between low-valence nickelates and cuprates is the subject of a profound debate for which soft x-ray spectroscopy experiments at the Ni L - and O K -edge provided critical input. In this review, we will discuss the essential elements of the electronic structure of low-valance nickelates revealed by x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS). Furthermore, we will review magnetic excitations observed in the RIXS spectra of IL and TL nickelates, which exhibit characteristics that are partly reminiscent of those of cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Neutron Radiography and Computed Tomography of Biological Systems at the Oak Ridge National Laboratory's High Flux Isotope Reactor

Neutrons have historically been used for a broad range of biological applications employing techniques such as small-angle neutron scattering, neutron spin echo, diffraction, and inelastic scattering. Unlike neutron scattering techniques that obtain information in reciprocal space, attenuation-based neutron imaging measures a signal in real space that is resolved on the order of tens of micrometers. The principle of neutron imaging follows the Beer-Lambert law and is based on the measurement of the bulk neutron attenuation through a sample. Greater attenuation is exhibited by some light elements (most notably, hydrogen), which are major components of biological samples. Contrast agents such as deuterium, gadolinium, or lithium compounds can be used to enhance contrast in a similar fashion as it is done in medical imaging, including techniques such as optical imaging, magnetic resonance imaging, X-ray, and positron emission tomography. For biological systems, neutron radiography and computed tomography have increasingly been used to investigate the complexity of the underground plant root network, its interaction with soils, and the dynamics of water flux in situ. Moreover, efforts to understand contrast details in animal samples, such as soft tissues and bones, have been explored. This manuscript focuses on the advances in neutron bioimaging such as sample preparation, instrumentation, data acquisition strategy, and data analysis using the High Flux Isotope Reactor CG-1D neutron imaging beamline. The aforementioned capabilities will be illustrated using a selection of examples in plant physiology (herbaceous plant/root/soil system) and biomedical applications (rat femur and mouse lung).

Bilheux, Hassina↗
DOE OSTI2022

XMM-Newton and TESS observations of the highly variable polar V496 UMa

We studied the temporal and spectral behavior of V496 UMa from the optical to the X-ray regimes. Methods. We used archival XMM-Newton and TESS observations obtained in 2017 and 2019, respectively, to perform a spectral and timing analysis of the highly variable magnetic CV. Results. The light curves of the TESS and XMM-Newton satellites reveal a double-humped pattern modulated with the periodicity of 91.058467 ± 0.00001 min. V496 UMa displays a two-pole accretion geometry in the high accretion state. X-ray spectra from these regions are composed of thermal plasma radiation and soft blackbody components with almost identical temperatures and a total accretion rate of $\dot{M}$ = 1.4(8) × 10 -11 M ⊙ yr -1 . The X-ray centers of the humps show longitudinal shifts of -18° and 4°, and shifts around photometric phase zero of -172° and -186°, for the main hump and second hump, respectively. The long-term ZTF light curves reveal high and low accretions states. Low-state ZTF and SDSS photometric data are consistent with an 0.8 M ⊙ white dwarf at 10 000 K and a main-sequence donor star with a spectral type of M5.0 at a Gaia determined distance of 758 pc. Conclusions. V496 UMa is a very bright polar in X-rays when it is in the high state. Due to its unusual geometric structure, mass accretion onto the second accretion pole is interrupted occasionally. This discontinuous behavior does not follow a certain pattern in time and has been observed so far only in the high state. The X-ray light curves display clear evidence of an accretion stream at the photometric phase of φ = 0.81, which does not show up in optical light curves. An accurate period was derived using the combined TESS and XMM-Newton data, which differs by 3.8 σ from published results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Isotropic parallel antiferromagnetism in the magnetic field induced charge-ordered state of $\mathrm{Sm Ru_4 P_{12}}$ caused by $p - f$ hybridization

Nature of the field-induced charge-ordered phase (phase II) of SmRu 4 P 12 has been investigated by resonant x-ray diffraction (RXD) and polarized neutron diffraction (PND), focusing on the relationship between the atomic displacements and the antiferromagnetic (AFM) moments of Sm. From the analysis of the interference between the nonresonant Thomson scattering and the resonant magnetic scattering, combined with the spectral function obtained from x-ray magnetic circular dichroism, it is shown that the AFM moment of Sm prefers to be parallel to the field (m AF ∥ H), giving rise to large and small moment sites around which the P 12 and Ru cage contract and expand, respectively. This is associated with the formation of the staggered ordering of the Γ 7 -like and Γ 8 -like crystal-field states, providing a strong piece of evidence for the charge order. PND was also performed to obtain complementary and unambiguous conclusion. In addition, isotropic and continuous nature of phase II is demonstrated by the field-direction invariance of the interference spectrum in RXD. Finally, crucial role of the p-f hybridization is shown by resonant soft x-ray diffraction at the P K edge (1s↔3p), where we detected a resonance due to the spin polarized 3p orbitals reflecting the AFM order of Sm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

DNA-assembled superconducting 3D nanoscale architectures

Studies of nanoscale superconducting structures have revealed various physical phenomena and led to the development of a wide range of applications. Most of these studies concentrated on one- and two-dimensional structures due to the lack of approaches for creation of fully engineered three-dimensional (3D) nanostructures. Here, we present a ‘bottom-up’ method to create 3D superconducting nanostructures with prescribed multiscale organization using DNA-based self-assembly methods. We assemble 3D DNA superlattices from octahedral DNA frames with incorporated nanoparticles, through connecting frames at their vertices, which result in cubic superlattices with a 48 nm unit cell. The superconductive superlattice is formed by converting a DNA superlattice first into highly-structured 3D silica scaffold, to turn it from a soft and liquid-environment dependent macromolecular construction into a solid structure, following by its coating with superconducting niobium (Nb). Through low-temperature electrical characterization we demonstrate that this process creates 3D arrays of Josephson junctions. This approach may be utilized in development of a variety of applications such as 3D Superconducting Quantum interference Devices (SQUIDs) for measurement of the magnetic field vector, highly sensitive Superconducting Quantum Interference Filters (SQIFs), and parametric amplifiers for quantum information systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Dimensional crossover in spin Hall oscillators

Auto-oscillations of magnetization driven by direct spin current have been previously observed in multiple quasi-zero-dimensional (0D) ferromagnetic systems such as nanomagnets and nanocontacts. Recently, it was shown that pure spin Hall current can excite coherent auto-oscillatory dynamics in quasi-one-dimensional (1D) ferromagnetic nanowires but not in quasi-two-dimensional (2D) ferromagnetic films. Here we study the 1D to 2D dimensional crossover of current-driven magnetization dynamics in wire-based Pt/Ni 80 Fe 20 bilayer spin Hall oscillators via varying the wire width. We find that increasing the wire width results in an increase of the number of excited auto-oscillatory modes accompanied by a decrease of the amplitude and coherence of each mode. We also observe a crossover from a hard to a soft onset of the auto-oscillations with increasing wire width. The amplitude of auto-oscillations rapidly decreases with increasing temperature suggesting that interactions of the phase-coherent auto-oscillatory modes with incoherent thermal magnons play an important role in suppression of the auto-oscillatory dynamics. Our measurements in this work set the upper limit on the dimensions of an individual spin Hall oscillator and elucidate the mechanisms leading to suppression of coherent auto-oscillations with increasing oscillator size.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗