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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 OSTI2024

Self-calibration strategies for reducing systematic slope measurement errors of autocollimators in deflectometric profilometry

Deflectometric profilometers are used to precisely measure the form of beam shaping optics of synchrotrons and X-ray free-electron lasers. They often utilize autocollimators which measure slope by evaluating the displacement of a reticle image on a detector. Based on our privileged access to the raw image data of an autocollimator, novel strategies to reduce the systematic measurement errors by using a set of overlapping images of the reticle obtained at different positions on the detector are discussed. It is demonstrated that imaging properties such as, for example, geometrical distortions and vignetting, can be extracted from this redundant set of images without recourse to external calibration facilities. This approach is based on the fact that the properties of the reticle itself do not change – all changes in the reticle image are due to the imaging process. Firstly, by combining interpolation and correlation, it is possible to determine the shift of a reticle image relative to a reference image with minimal error propagation. Secondly, the intensity of the reticle image is analysed as a function of its position on the CCD and a vignetting correction is calculated. Thirdly, the size of the reticle image is analysed as a function of its position and an imaging distortion correction is derived. It is demonstrated that, for different measurement ranges and aperture diameters of the autocollimator, reductions in the systematic errors of up to a factor of four to five can be achieved without recourse to external measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Orientational analysis of atomic pair correlations in nanocrystalline indium oxide thin films

The application of grazing-incidence total X-ray scattering (GITXS) for pair distribution function (PDF) analysis using >50 keV X-rays from synchrotron light sources has created new opportunities for structural characterization of supported thin films with high resolution. Compared with grazing-incidence wide-angle X-ray scattering, which is only useful for highly ordered materials, GITXS/PDFs expand such analysis to largely disordered or nanostructured materials by examining the atomic pair correlations dependent on the direction relative to the surface of the supporting substrate. A characterization of nanocrystalline In 2 O 3 -derived thin films is presented here with in-plane-isotropic and out-of-plane-anisotropic orientational ordering of the atomic structure, each synthesized using different techniques. The atomic orientations of such films are known to vary based on the synthetic conditions. Here, an azimuthal orientational analysis of these films using GITXS with a single incident angle is shown to resolve the markedly different orientations of the atomic structures with respect to the planar support and the different degrees of long-range order, and hence, the terminal surface chemistries. It is anticipated that orientational analysis of GITXS/PDF data will offer opportunities to extend structural analyses of thin films by providing a means to qualitatively determine the major atomic orientation within nanocrystalline and, eventually, non-crystalline films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Enhanced two-dimensional ferromagnetism in van der Waals β-UTe 3 monolayers

The discovery of local-moment magnetism in van der Waals (vdW) semiconductors down to the single-layer limit has led to a paradigm shift in the understanding of two-dimensional (2D) magnets. The incorporation of strong electronic and magnetic correlations in 2D vdW metals remains a sought-after platform to enable control of emergent quantum phases and to achieve more theoretically tractable microscopic models of complex materials. To date, however, there is limited success in the discovery of such metallic vdW platforms, and f-electron monolayers remain out of reach. Here, we demonstrate that strongly correlated β–uranium tritelluride (β-UTe 3 ) can be exfoliated to the monolayer limit. Unexpectedly, β-UTe 3 remains ferromagnetic in this limit with an enhanced ordering temperature of 35 kelvin, a factor of two larger than its bulk counterpart. Our work establishes β-UTe 3 as a materials platform for investigating and modeling correlated behavior in the monolayer limit and opens numerous avenues for quantum control with, e.g., strain engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Peptidoglycan Contribution to the B Cell Superantigen Activity of Staphylococcal Protein A

Staphylococcus aureus causes reiterative and chronic persistent infections. This can be explained by the formidable ability of this pathogen to escape immune surveillance mechanisms. Cells of S. aureus display the abundant staphylococcal protein A (SpA). SpA binds to immunoglobulin (Ig) molecules and coats the bacterial surface to prevent phagocytic uptake. SpA also binds and cross-links variable heavy 3 (V H 3) idiotype (IgM) B cell receptors, promoting B cell expansion and the secretion of nonspecific V H 3-IgM via a mechanism requiring CD4 + T cell help. SpA binding to antibodies is mediated by the N-terminal Ig-binding domains (IgBDs). The so-called region X, uncharacterized LysM domain, and C-terminal LPXTG sorting signal for peptidoglycan attachment complete the linear structure of the protein. Here, we report that both the LysM domain and the LPXTG motif sorting signal are required for the B cell superantigen activity of SpA in a mouse model of infection. SpA molecules purified from staphylococcal cultures are sufficient to exert B cell superantigen activity and promote immunoglobulin secretion as long as they carry intact LysM and LPXTG motif domains with bound peptidoglycan fragments. The LysM domain binds the glycan chains of peptidoglycan fragments, whereas the LPXTG motif is covalently linked to wall peptides lacking glycan. These findings emphasize the complexity of SpA interactions with B cell receptors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Status of QCD precision predictions for Drell–Yan rapidity distributions

We compute differential distributions for Drell–Yan processes at the LHC and the Tevatron colliders at next-to-next-to-leading order in perturbative QCD, including fiducial cuts on the decay leptons in the final state. The comparison of predictions obtained with four different codes shows excellent agreement, once linear power corrections from the fiducial cuts are included in those codes that rely on phase-space slicing subtraction schemes. For Z-boson production we perform a detailed study of the symmetric cuts on the transverse momenta of the decay leptons. Predictions at fixed order in perturbative QCD for those symmetric cuts, typically imposed in experiments, suffer from an instability. We show how this can be remedied by an all-order resummation of the fiducial transverse momentum spectrum, and we comment on the choice of cuts for future experimental analyses.

Alekhin, S. [University of Hamburg (Germany)]↗
DOE OSTI2025

Impact of Testing Method on Safety Assessment of Aged Li-Ion Cells: Part II – Aged Cells Without Li Plating

Understanding the safety profile of aged Li-ion batteries is essential for developing effective battery management and hazard mitigation strategies. However, most safety assessments have focused on fresh batteries, with just a few calorimetry studies on aged batteries with metal oxide positive electrodes. This study provides a broad assessment of commercial 18650-type Li-ion batteries with NCA, NMC, and LFP positive electrodes, both uncycled and aged under conditions that promoted solid electrolyte interphase (SEI) growth as the dominant degradation mechanism. The cells underwent mechanical (nail penetration, crush), electrical (overcharge, overdischarge), and thermal (accelerating rate calorimetry) abuse tests. Safety was rated on general characteristics such as mass loss, maximum temperature, and EUCAR (European Council for Automotive R&D) hazard level, as well as characteristics specific to individual abuse tests. Generally, aged cells with SEI growth exhibited similar or improved safety compared to uncycled cells, contrasting with our previous findings on NCA cells with Li plating as the dominant aging mechanism (Part I of this series). Yet, some tests and characteristics indicated reduced aged cell safety, such as earlier triggering of mechanical failure. These results emphasize the need to examine aged battery safety across diverse empirical techniques, degradation modes, and chemistries.

Lithium-ion cells↗
DOE OSTI2025

Utah FORGE: RESMAN Well 16A(78)-32 and 16B(78)-32 Stimulation and Circulation Tracer Test Results - 2024

This dataset contains tracer test results from stimulation and circulation experiments conducted on the Utah FORGE wells 16A(78)-32 and 16B(78)-32 during 2024. The data was collected by RESMAN Energy Technology and includes detailed tracer analysis from flowback, short- and extended-duration circulation tests, and reinjection sampling. Sampling included analysis of tracers during different stages of testing in April, August, and September 2024. The dataset is accompanied by an interpretation report and contains time-series tracer concentration data with identification of test phases and sampling conditions. It includes results for flowback from well 16A, commingling effects with water from well 16B, tracer data from short and extended circulation tests, and reinjection tracer corrections for the August/September test. Users should be aware that proprietary tracer methodologies were applied, and they should consult the interpretation report for insights into experimental procedures and data contextualization.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Relaxor behavior and electrothermal properties of Sn- and Nb-modified (Ba,Ca)TiO 3 Pb-free ferroelectric

Relaxor ferroelectrics have drawn attention for possible applications in solid-state cooling and thermal energy harvesting, owing to their electrothermal energy conversion properties. Here, we have synthesized and characterized the structure–property correlations of a new Sn- and Nb-doped (Ba,Ca)TiO 3 relaxor ferroelectric with large pyroelectric and electrocaloric effects over a broad temperature range. We observed two peaks for the temperature-dependent pyroelectric coefficient: (i) -(∂P/∂T) ~ 563 µC/(m 2 K) at T~ 270 K and (ii) -(∂P/∂T) ~ 1021 µC/(m 2 K) at T~ 320 K. In addition, a broad peak for electrocaloric temperature change is observed near 320 K with a relative cooling power of ~17 J/kg. These properties could be correlated to structural changes observed using X-ray diffraction at two different temperature ranges in the material. Analysis of high-energy X-ray scattering and specific heat capacity data revealed a transition from the cubic to tetragonal phase near T m ~ 320 K, whereas an additional increase in the tetragonality (c/a) of the polar phase is observed below T s ~ 270 K.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Crystallization and assembly at interfaces: Celebrating the achievements of a vibrant research community

Crystallization is one of the cornerstones of modern materials science and engineering and plays a critical role in industries ranging from petroleum derivative manufacturing to microstructural engineering of structural materials and the defect-free growth of silicon single crystals for integrated chip technology. Also, in the realm of environmental and biological processes, the mineralization of diverse compounds has shaped the vast array of ecosystems we observe today. Conversely, understanding the crystallization and assembly of building blocks of various sizes at interfaces has broader impacts on materials synthesis, performance of energy storage devices, optimized processing conditions, and more.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Physics Briefing Book: Input for the 2026 update of the European Strategy for Particle Physics

The European Strategy for Particle Physics (ESPP) reflects the vision and presents concrete plans of the European particle physics community for advancing human knowledge in fundamental physics. The ESPP is updated every five-to-six years through a community-driven process. It commences with the submission of specific proposals and other input from the community at large, outlining projects envisioned for the near-, mid-, and long-term future. All submitted contributions are evaluated by the Physics Preparatory Group (PPG), and a preliminary analysis is presented at a Symposium meant to foster a broad community discussion on the scientific value and feasibility of the various ideas proposed. The outcomes of the analysis and the deliberations at the Symposium are synthesized in the current Briefing Book, which provides an important input in the deliberations of the Strategy recommendations by the European Strategy Group (ESG).

de Blas, Jorge [Univ. of Granada (Spain); et al.]↗
DOE OSTI2024

Seismic Monitoring near Ithaca, New York, Reveals Nonuniform Distribution of Microseismicity in an Intraplate Region

Abstract Cornell University intends to use a deep direct-use geothermal system to heat its Ithaca, New York, campus. In preparation for this project, the Cornell Seismic Network has been monitoring the background seismicity in this intraplate region since 2019. From January 2020 to June 2023, 95 events were detected within 20 km of the proposed geothermal well site, with local magnitudes ranging from −1.02 to 0.56. None of these events appear in regional or national catalogs. Events locate in a narrow geographic band, with one-fourth exhibiting multimodal hypocentral probability peaks both near the surface and at 1–4 km depth. We relocate events with a joint hypocenter and 1D velocity model inversion, in addition to a fully nonlinear method, and then compare observations with synthetic waveforms. Together, these approaches provide strong evidence for >95% of events locating at the surface or within the 3-km-thick sedimentary sequence. We explore how anthropogenic activity and regional topographic stress may contribute to frequent surficial events. This information is critical for characterizing the background microseismicity for comparison during future geothermal operations. Ithaca’s geology of Paleozoic sediments overlying Precambrian crystalline basement is typical of many continental interiors, so these results also provide insight into intraplate microseismicity patterns.

Geochemistry & Geophysics↗
DOE OSTI2022

Nuclear Physics Exascale Requirements Review: An Office of Science Review sponsored jointly by Advanced Scientific Computing Research and Nuclear Physics, June 15 - 17, 2016, Gaithersburg, Maryland

Imagine being able to predict — with unprecedented accuracy and precision — the structure of the proton and neutron, and the forces between them, directly from the dynamics of quarks and gluons, and then using this information in calculations of the structure and reactions of atomic nuclei and of the properties of dense neutron stars (NSs). Also imagine discovering new and exotic states of matter, and new laws of nature, by being able to collect more experimental data than we dream possible today, analyzing it in real time to feed back into an experiment, and curating the data with full tracking capabilities and with fully distributed data mining capabilities. Making this vision a reality would improve basic scientific understanding, enabling us to precisely calculate, for example, the spectrum of gravity waves emitted during NS coalescence, and would have important societal applications in nuclear energy research, stockpile stewardship, and other areas. This review presents the components and characteristics of the exascale computing ecosystems necessary to realize this vision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

DECOVALEX-2019 (Task E Final Report)

The DECOVALEX Project is an on-going international research collaboration, established in 1992, to advance the understanding and modeling of coupled Thermal (T), Hydrological (H), Mechanical (M) and Chemical (C) processes in geological in geological systems. DECOVALEX was initially motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. Later it was realized that these processes also play a critical role in other subsurface engineering activities, such as subsurface CO 2 storage, enhanced geothermal systems, and unconventional oil and gas production through hydraulic fracturing. Research teams from many countries (e.g., Canada, China, Czech Republic, Finland, France, Germany, Japan, Republic of Korea, Spain, Sweden, Switzerland, Taiwan, United Kingdom, and the United States) various institutions have participated in the DECOVALEX Project over the years, providing a wide range of perspectives and solutions to these complex problems. These institutions represent radioactive waste management organizations, national research institutes, regulatory agencies, universities, as well as industry and consulting groups. This document is the final report of Task E which was proposed and coordinated by Andra, the National Radioactive Waste Management Agency in France, presenting the technical definitions of the problems studied, approaches applied, achievements made and outstanding issues for future research. The purpose of Task E of the DECOVALEX-2019 project is to investigate upscaling THM modelling from small-scale experiments (some cubic meters) to full-scale experiments (some ten cubic meters) and finally to the scale of the waste repository (cubic kilometers). To achieve this aim, the data of two in-situ heating experiments performed by Andra (the French National Radioactive Waste Management Agency) in the Meuse/Haute-Marne Underground Research Laboratory (MHM URL) have formed the basis for the understanding of the THM behavior of the COx at different scales. The first experiment provided the reference values of the THM parameters by means of a calibration exercise and they were used for a blind prediction and an interpretative analysis of the second one.

58 GEOSCIENCES↗
DOE OSTI2024

Catalytic Conversion of Ethylene to Value-added Materials (Final Report)

The general goal of the work was to develop new late metal Ni(II)- and Pd(II)-based catalysts and processes to convert ethylene and other readily available α-olefins via polymerization and oligomerization reactions to an array of new value-added materials with high efficiency. An emphasis was placed on invention of new catalysts and processes guided by rational design and detailed mechanistic studies. These investigations have generated new knowledge which may underpin technological advances directed towards new and more efficient methods for utilizing ethylene and α-olefins derived from ethylene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

IMS Rapid Response 2023-2 (RR 2023-RND-2): Magnetic order in layered bismuthide RhMnBi 3 (Final Report)

Microelectronics are technologies (mostly theoretical at this point) to create electronic circuits with components of atomic length scale. One of the key materials innovations enabling this technology is exfoliatable two-dimensional materials. These materials allow thin sheets of only a few atoms thick to be easily created in the laboratory. More and more of these materials are reported every year, but few have been characterized in detail. Thus a major goal in materials research in pursuit of microelectronic devices is characterizing newly discovered materials to evaluate their properties. The goal of this project was the measure and understand the magnetic order in a newly discovered van der Waals magnet RhMnBi 3 . Bulk property experiments indicated very complicated magnetic behavior, with multiple phase transitions between 2K and 300K (room temperature). This potentially indicated highly sensitive and tunable magnetism appropriate for single-layer magnetic switches and sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Single-molecule imaging of lignocellulose deconstruction by SCATTIRSTORM microscopy

The goal of this project is to build a multimodal optical microscope to measure the binding, processive degradation, and pausing behaviors of cellulases as they interact with and degrade both synthetic and naturally occurring lignocellulosic walls. To achieve this, we will use high spatio-temporal single-molecule imaging to track cellulases, while visualizing specific molecular components of cellulose, lignin and hemicellulose, that make up their lignocellulose substrate. The microscope will combine Interferometric Scattering (iSCAT), which provides unprecedented spatiotemporal resolution; Total Internal Reflection Fluorescence (TIRF), which provides single-molecule resolution of multiple fluorophore-labeled molecules; and Stochastic Reconstruction (STORM), which allows for three-dimensional super-resolution imaging of intact plant cell walls during degradation. Initial studies will investigate cellulase dynamics on in vitro-assembled cell wall analogs, and later work will progress to using native plant cell walls.

09 BIOMASS FUELS↗