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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Simons Observatory: Characterizing the Large Aperture Telescope Receiver with Radio Holography

We present near-field radio holography measurements of the Simons Observatory Large Aperture Telescope Receiver optics. These measurements demonstrate that radio holography of complex millimeter-wave optical systems comprising cryogenic lenses, filters, and feed horns can provide detailed characterization of wave propagation before deployment. We used the measured amplitude and phase, at 4 K, of the receiver near-field beam pattern to predict two key performance parameters: 1) the amount of scattered light that will spill past the telescope to 300 K and 2) the beam pattern expected from the receiver when fielded on the telescope. These cryogenic measurements informed the removal of a filter, which led to improved optical efficiency and reduced sidelobes at the exit of the receiver. Holography measurements of this system suggest that the spilled power past the telescope mirrors will be less than 1%, and the main beam with its near sidelobes are consistent with the nominal telescope design. This is the first time such parameters have been confirmed in the lab prior to deployment of a new receiver. This approach is broadly applicable to millimeter and submillimeter instruments.

Grace. E. Chesmore↗
DOE OSTI2025

Pt Particles on a Dynamic TiO 2 Support in Near-Ambient Conditions−Disentangling Size, Pressure, and Support Effects

Platinum particles on reducible oxides are known to form complex and highly dynamic catalyst systems at elevated pressures and temperatures, often adopting active structures that differ from those found at room temperature and under ultrahigh vacuum (UHV). Here, we study the oxidation and structural evolution of subnanometer Pt clusters and nanoparticles supported on rutile TiO 2 (110) across an oxygen pressure range from UHV to 0.1 mbar, using near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS), scanning tunneling microscopy (STM) under UHV and NAP conditions, and low-energy ion scattering (LEIS). Our results reveal distinct differences in oxidation behavior and thermal stability between Pt nanoparticles and clusters, which are further modulated by the support stoichiometry and oxygen pressure. Small Pt clusters become oxidized even at room temperature but are susceptible to accelerated sintering in 0.1 mbar O 2 at elevated temperatures. In contrast, well-crystallized Pt nanoparticles on near-stoichiometric TiO 2 show weaker oxidation. On a reduced, defective TiO 2 support, Pt instead quickly becomes deeply buried by new titania layers, which are formed during support reoxidation. This process appears to result primarily from interactions of the support with the gas phase, unlike the classical, selflimited encapsulation that is induced by the strong metal−support interaction (SMSI). Finally, we address the full complexity of real catalysts in a direct side-by-side comparison of the single-crystalline model system with a Pt-loaded TiO 2 powder catalyst (P25). We conclude that the stoichiometry of the model supports must be carefully chosen and controlled to accurately reproduce the expected state of powder supports during redox reactions.

metal nanoparticles↗
DOE OSTI2026

Insulating ground state and 2−𝑘 magnetic structure of candidate Weyl hydrogen-atom K2⁢Mn3⁢(AsO4)3

The ideal Weyl "hydrogen-atom" semimetal exhibits only a single pair of Weyl nodes and no other trivial states at the Fermi energy. Such a material would be a panacea in the study of Weyl quasi-particles, allowing direct unambiguous observation of their topological properties. The alluaudite-like K2⁢Mn3⁢(AsO4)3 compound was recently proposed as such a material. Here, we use comprehensive experimental work and first-principle calculations to assess this prediction. We find K2⁢Mn3⁢(AsO4)3 crystallizes in the 𝐶⁢2/𝑐 symmetry with a quasi-one-dimensional Mn sublattice, growing as small needle-like crystals. Bulk property measurements reveal magnetic transitions at ≈8 and ≈4 K, which neutron scattering experiments show correspond to two distinct magnetic orders, first a partially ordered ferrimagnetic 𝐤𝟏=(0,0,0) structure at 8 K and a second transition of 𝐤𝟐=(1,0,0) at 4 K to a fully ordered state. Below the second transition, both ordering vectors are necessary to describe the complex magnetic structure with modulated spin magnitudes. Both of the best-fit magnetic structures in this work are found to break the symmetry necessary for the generation of Weyl nodes, though one of the magnetic structures allowed by 𝐤𝟏 does preserve this symmetry. However, the crystals are optically transparent and ellipsometry measurements reveal a large band gap, undermining expectations of semimetallic behavior. Density functional theory calculations predict an insulating antiferromagnetic ground state, in contrast to previous reports, and suggest potential frustration on the magnetic sublattice. Given the wide tunability of the alluaudite structure, we consider ways to push the system closer to a semimetallic state.

Taddei, Keith M [Argonne National Laboratory]↗
DOE OSTI2024

Tailoring coherent charge transport in graphene by deterministic defect generation

Harnessing the wave-nature of charge carriers in solid state devices, electron optics investigates and exploits coherent phenomena, in analogy with optics and photonics. Typically, this requires complex electronic devices leveraging macroscopically coherent charge transport in two-dimensional electron gases and superconductors. Here, collective coherent effects are induced in a simple counterintuitive architecture by defect engineering. Deterministically introduced lattice defects in graphene enable the phase coherent charge transport by playing the role of potential barriers, instead of scattering centres as conventionally considered. Thus, graphene preserves its quasi-ballistic quantum transport and can support phase-matched charge carrier waves. Based on this approach, multiple electronic Fabry-Pèrot cavities are formed by creating periodically alternating defective and pristine nano-stripes through low energy electron-beam irradiation. Indeed, defective stripes behave as partially reflecting mirrors and resonantly confine the charge carrier waves within the pristine areas, giving rise to Fabry-Pèrot resonant modes. These modes experimentally manifest as sheet resistance oscillations, as also confirmed by Landauer-Büttiker simulations. Moreover, these coherent phenomena survive up to 30 K for both polarities of charge carriers, contrarily to traditional monopolar electrostatically created Fabry-Pèrot interferometers. Our study positions defective graphene as an innovative platform for coherent electronic devices, with potential applications in nano and quantum technologies.

Melchioni, Nicola↗
NASA NTRS1993

Ballistic Electron Emission Microscopy of Metal/Group IV Interfaces

Ballistic electron emission microscopy and spectroscopy, together with related techniques, have been applied with great success to the study of buried interfaces. These probes, known collectively as BEEM, have yielded important information on interface transport, interface band structure, and carrier scattering, with lateral spatial resolution on the nanometer scale. Recent applications of the technique to polycrystalline metal/semiconductor interfaces have demonstrated an ability to spatially map both conduction band and valence band semiconductor structure. BEEM studies of epitaxial silicide/silicon interfaces have been particularly fruitful, as the rich silicide band structure results in complex and often surprising transport behavior...

Hecht, M. H.↗
DOE OSTI2024

Spin Effects in Low Dimensional Correlated Systems (Final Technical Report)

Our program focuses on the behavior of two-dimensional superconducting systems that have been placed in high magnetic fields and/or in contact with magnetic materials. Our specific research agenda is organized into two separate but related areas. The first is a study of disorder and correlation effects in extremely thin superconducting aluminum, beryllium, and rhenium films that have been subjected to very high magnetic fields. We are particularly interested in understanding how the coupling between the applied field and the electron spins affects the system’s ability to form superconducting state. We now have good evidence that as the electron spins in these superconductors attempt to align to the magnetic field, a new superconducting phase emerges near the critical field transition and that this phase has a significant influence on the character of the transition. Thus, the spin behavior near the transition is much more complex than expected. The second class of systems is proximity structures comprised of superconducting/ferromagnetic (SC/FM) and superconducting/heavy metal (SC/HM) bilayers. We have developed spin-resolved tunneling probes that give us a direct measure of the proximity-induced exchange field in the SC/FM structures, as well as the spin-orbit scattering rate in SC/HM structures. Recently we have demonstrated that the magnitude of the exchange field can be modulated with an external gate, thereby producing a magneto-electric response in the bilayers. We plan to optimize this magneto-electric effect by getting a better understanding of the microscopic mechanism of the interface-induce exchange field, as well as improving the gate barriers and/or the bilayer interface quality. The ultimate goal is to develop a device such as a voltage-controlled superconducting switch or a spin- polarized electron source with a voltage-tunable Zeeman splitting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

An IUE survey of interstellar H I Ly alpha absorption. 2: Interpretations

We present an analysis of interstellar neutral hydrogen column densities obtained from archival Ly alpha absorption line data toward the complete sample of B2 and hotter stars observed at high spectral resolution with the IUE satellite. The full sample includes 554 stars and more than doubles the number of lines of sight previously observed. Many of the B2 and B1.5 stars exhibit contamination from stellar Ly alpha absorption, and were excluded from the subsequent analysis. The final working sample includes 393 stars. We present statistical averages for a number of quantities derived for the sample. The stars range in distance from 0.12 to 11 kpc with an average distance of 2.1 kpc. Values for average sight-line density range from 0.017 to 8.62 atoms cm(exp -3), with an overall average of 0.23 atoms cm(exp -3). Neutral hydrogen and dust are well correlated, with N(H I)/E(B - V) = 4.93 x 10(exp 21) cm(exp -2) mag(exp -1), and N(H I)/E(Bump) = 2.17 x 10(exp 21) cm(exp -2) mag(exp -1). There is an increase in the H I to dust ratios for the densest sight lines. Evidently, the H I to dust ratios in dense clouds are higher than in the lower density medium between the clouds and in interarm directions. The effect is probably an indication of dust modification in the dense clouds. The H I to dust ratios are approx. 17% smaller for the sight lines to O stars compared to the ratios found toward B stars. We have identified sight lines with anomalously large and small values of N(H I)/E(B - V) and H(H I)/E(Bump). Some of these sight lines are well-known examples of peculiar extinction (i.e., HD 147933 and HD 37061 (NU Ori)). Others are less well known and may provide important new examples of regions with highly modified dust. The number of stars with anomalously low H I to dust ratios is disproportionately larger than the number of stars with anomalously high H I to dust ratios. The distribution of the gas away form the Galactic plane for the sample of objects is complex. For the subset of 375 stars whose lines of sight have a statistically low probablility of intersecting a large cloud, the distribution may be roughly approximated by an exponential density distribution, with a midplane density of 0.366 atoms cm(exp -3), a scale height of 195 pc, and a random logarithmic scattering parameter sigma (sub p) of 0.159 dex. For the same sample of stars, interstellar dust is found to be confined closer to the plane than the H I, with (E(B - V)/r)(sub 0) = 0.257 mag kpc(exp -1), scale height h = 152 pc, and sigma(sub p) = 0.263 dex. The dust distribution is more inhomogeneous than the gas distribution. The observed distribution of H I away from the Galactic plane can also be fitted with a two-component exponential model including the effects of patchiness. Unfortunately, the foreground contamination produced by the cloudy and more confined component of H I makes it difficult to estimate the scale height of the extended component without invoking an independent estimate of its midplane density. Assuming n(sub 2)(0) = 0.16 cm(exp -3) from the Copernicus satellite H I/H(sub 2) survey, we obtain n(sub 1)(0) = 0.247 cm(exp -3), h(sub 1) = 73 PC, and h(sub 2) + 357 pc.

Diplas, Athanassios↗
DOE OSTI2025

Mixed gain detector configurations for time-resolved X-ray solution scattering

X-ray detection at X-ray free-electron lasers is challenging in part due to the XFEL's extremely short and intense X-ray pulses. Experimental measurements are further complicated by the large fluctuations inherent to the self-amplified spontaneous emission process producing the X-rays. At the Linac Coherent Light Source the ePix10ka2M detector offers multiple gain modes, and auto-ranging between these, to increase the dynamic range while retaining low noise. For diffuse scattering techniques, such as time-resolved X-ray solution scattering, where the shape of the scattering pattern largely does not change between exposures, a fixed mix of different gain modes offers many of the same advantages as auto-ranging. We find that configuring individual ASICs in separate gain modes does not impact the intensity linearity of the gain response and has a limited effect on the effective dynamic range in regions with different gain mode settings while avoiding the complexities of auto-ranging. Small (<5%) non-linear gain contributions arise when pixels on the same ASIC are configured in different gain modes. We present a configuration scheme that is designed to select the optimal mixed gain configuration to minimize effects of saturation in the high-/medium-gain region, while maximizing the number of pixels with higher gain to improve the signal-to-noise ratio.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Identification of a key water molecule involved in the macrophage migration inhibitory factor‐catalyzed tautomerization of para ‐hydroxyphenylpyruvate using neutron crystallography

Abstract Neutron crystallography was used to determine a 2.5‐Å resolution all‐atom structure of macrophage migration inhibitory factor (MIF) interacting with 3‐(4‐hydroxyphenyl)‐pyruvate (HPP). MIF is a pro‐inflammatory, pro‐tumorigenic protein that may be an attractive therapeutic target. MIF catalyzes the interconversion of the keto and enol forms of HPP by a tautomerase reaction. Although HPP is evidently not a physiological substrate of MIF, many compounds that inhibit this activity in enzymatic assays have been found also to inhibit physiological activities of MIF. Therefore, the MIF‐catalyzed HPP tautomerization reaction is used in initial screening of compounds in the search for inhibitors of MIF physiological activity. The neutron diffraction‐derived crystal structure reveals the position of a water molecule involved in the tautomerization reaction, and also confirms the charged state of lysine‐32 in the active site. The structure confirms the previously proposed catalytic mechanism of MIF, with the N‐terminal Pro‐1 abstracting a proton to generate an HPP enolate intermediate which is subsequently protonated. The structure reported herein reveals that this proton is supplied by a neighboring water molecule. Along with the neutron structure, a room‐temperature synchrotron x‐ray crystal structure reveals a covalent adduct between HPP and MIF. While this adduct is a result of radiation‐induced chemistry, its formation confirms the catalytic role of the active site residue because a covalent complex could only form if the reactive carbon of the substrate is correctly positioned by the enzyme.

Schröder, Gabriela C. [Department of Molecular and↗
DOE OSTI2025

Dirac traces and the Tutte polynomial

Perturbative calculations involving fermion loops in quantum field theories require tracing over Dirac matrices. A simple way to regulate the divergences that generically appear in these calculations is dimensional regularisation, which has the consequence of replacing 4-dimensional Dirac matrices with d-dimensional counterparts for arbitrary complex values of d. In this work, a connection between traces of d-dimensional Dirac matrices and computations of the Tutte polynomial of associated graphs is proven. The time complexity of computing Dirac traces is analysed by this connection, and improvements to algorithms for computing Dirac traces are proposed.

Renormalization and Regularization↗
NASA NTRS1990

Scattering of impact wave by a crack in composite plate

The surface responses due to impact load on an infinite uniaxial graphite/epoxy plate with and without delamination cracks are investigated both in time and frequency domain by using a hybrid method combining the finite element discretization of the near-field with boundary integral representation of the field outside a contour enclosing completely the crack. This combined method leads to a set of linear unsymmetric complex matrix equations which are solved to obtain the response in the frequency domain by biconjugate gradient method. The time domain response is then obtained by using an FFT. In order to capture the time-domain characteristics accurately, high order finite elements have been used. Also, both the six node singular elements and eight node transition elements are used around the crack tips to model the crack-tip singularity. It is shown that from the numerical results for surface responses both depth and length of this crack can be identified.

Ju, T. H.↗
DOE OSTI2026

Evidence of Free-Bound Transitions in Warm Dense Matter and Their Impact on Equation-of-State Measurements

Warm dense matter (WDM) is now routinely created and probed in laboratories around the world, providing unprecedented insights into conditions achieved in stellar atmospheres, planetary interiors, and inertial confinement fusion experiments. However, the interpretation of these experiments is often filtered through models with systematic errors that are difficult to quantify. Due to the simultaneous presence of quantum degeneracy and thermal excitation, transitions in which free electrons are de-excited into thermally unoccupied bound states transferring momentum and energy to a scattered x-ray photon become viable. Here we show that such free-bound transitions are a particular feature of WDM and vanish in the limits of cold and hot temperatures. The inclusion of these transitions into the analysis of recent X-ray Thomson Scattering experiments on WDM at the National Ignition Facility and the Linac Coherent Light Source is required to obtain a physically consistent temperature from the Chihara decomposition. This interpretation is corroborated by agreement with a recently developed model-free thermometry technique and presents an important step for precisely characterizing and understanding the complex WDM state of matter.

Boehme, M [HZDR Dresden]↗
DOE OSTI2025

A machine-learning-driven data labeling pipeline for scientific analysis in MLExchange

This study introduces a novel labeling pipeline to accelerate the labeling process of scientific data sets by using artificial intelligence (AI)-guided tagging techniques. This pipeline includes a set of interconnected web-based graphical user interfaces (GUIs), where Data Clinic and MLCoach enable the preparation of machine learning (ML) models for data reduction and classification, respectively, while Label Maker is used for label assignment. Throughout this pipeline, data can be accessed through a direct connection to a file system or through Tiled for access through Hypertext Transfer Protocol (HTTP). Our experimental results present three use cases where this labeling pipeline has been instrumental for the study of large X-ray scattering data sets in the area of pattern recognition, the remote analysis of resonant soft X-ray scattering data and the fine-tuning process of foundation models. These use cases highlight the labeling capabilities of this pipeline, including the ability to label large data sets in a short period of time, to perform remote data analysis while minimizing data movement and to enhance the fine-tuning process of complex ML models with human involvement.

Chavez, Tanny (ORCID:0000000193172896)↗
DOE OSTI2025

Investigating One- and Two-Body Interference Terms in Neutrino Argon Interactions with ACHILLES at LArTPCs

Due to the complex nature of heavy nuclei, uncertainties in the prediction of neutrino-nucleus cross-sections contribute significantly to the systematic limitations of neutrino oscillation experiments. Current neutrino detectors are dedicating significant effort to measuring these cross-sections in order to improve the sensitivities of next-generation experiments. To extract translatable scattering parameters that can be applied between detector media and beam energies, these measurements must be supported by robust theoretical modelling. ACHILLES is a recent theory-driven lepton-nucleus scattering generator that aims to be easily extensible, while also providing modern accurate theory predictions. This talk will discuss the application of ACHILLES to derive experimental observables for the investigation of interference between one- and two-body scattering processes in neutrino-nucleus interactions. We will show studies primarily using the Booster Neutrino Beam (BNB) flux in the context of the SBND experiment, which is collecting world-leading statistics for neutrino argon scattering, utilising its PRISM capabilities.

Paton, Josephine L. [Fermilab]↗
NASA NTRS1977

The photometric functions of Phobos and Deimos. II - Surface photometry of Deimos

Mariner 9 television pictures of Deimos are used to study the uniformity of a certain photometric scattering parameter over the surface of the satellite. It is shown that the photometric data considered satisfy the reciprocity principle and that the Hapke-Irvine scattering law is adequate for describing the surface. Phase functions for Deimos are obtained from scans along the photometric equator, and the photometric behavior of the brightest and darkest areas on the satellite's disk is examined. The results indicate that the surface of Deimos is covered uniformly by a dark and texturally complex material whose photometric behavior is well-represented by the Hapke-Irvine law, that the intrinsic phase coefficient of this material is about 0.017 mag/deg over the phase-angle range from 20 to 80 deg, and that slightly brighter material is present near some craters. Since enhanced brightening was not observed at the specular point of the photometric equator in any of the pictures studied, it is concluded that large exposures of solid rock are absent from the Mars-facing side of Deimos.

Noland, M.↗
NASA NTRS1979

Determination of the ground albedo and the index of absorption of atmospheric particulates by remote sensing. II - Application

A hemispherical radiometer has been used to obtain spectrally narrow-band measurements of the downward hemispheric diffuse and total (global) flux densities at varying solar zenith angles on 14 days over Tucson. Data are presented which illustrate the effects of temporally varying atmospheric conditions as well as clear stable conditions on the ratio of the diffuse to direct solar radiation at the earth's surface. The ground albedo and the effective imaginary term of the complex refractive index of atmospheric particulates are derived from the diffuse-direct ratio measurements on seven clear stable days at two wavelengths using the statistical procedure described by King and Herman (1979). Results indicate that the downwelling diffuse radiation field in the midvisible region in Tucson can be adequately described by Mie scattering theory if the ground albedo is 0.279 + or - 0.100 and the index of absorption is 0.0306 + or - 0.0082.

King, M. D.↗
NASA NTRS1983

The delta S (delta R)-2 question: The pulse-length dependence of signal power for Fresnel scatter

It is proposed that the enhanced echoes from the atmosphere observed with a vertically pointing radar are due to reflections from horizontally stratified layers. The general case in which there are many closely spaced layers at random heights is called Fresnel scatter. The variation of received power with transmitter pulse length is examined for various models of Fresnel backscatter. It is shown that for the model most often used in previous work, the power is proportional to the pulse length, and not to the pulse length squared. However, for more general models a more complex pulse length dependence is found.

Hocking, W. K.↗
NASA NTRS1995

Systematic effects of randomness in radiative transfer

In this paper, the authors show how the variability of the water content in individual clouds, the complexity of individual cloud structure, and the lateral and vertical heterogeneity of the distribution of individual clouds can produce systematic effects in the inversion of intensity distributions and the inference of source functions and the vertical temperature profile. This is possibly very significant, even in simple applications of radiative transfer theory where multiple scattering is not very important, in light of the randomness in the water vapor content and geometry associated with the microphysics of clouds. A practical procedure is provided to quantify this effect and to obtain, in certain circumstances, an improved estimate of the vertical temperature profile.

Newman, William I.↗