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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Transition metal elements as donor dopants in CdO

CdO has been shown to achieve a high electron concentration N (> 10 21 cm -3 ) and at the same time a high mobility μ (> 100cm 2 /V s) when doped with conventional shallow dopants (In or Ga), and consequently making it a transparent conducting oxide with very low resistivity ρ <10 -4 $\Omega$ cm. In this work, the properties of CdO thin films doped with a series of transition metal elements (CdO:TM) with partially filled 3d and 4d shells, including Sc, Ti, V, Cr, Fe, Y, Mo, and W, were investigated. We find that doping with these TM elements can effectively increase the N in CdO to a maximum N (N max ) of ~(7-12)×10 20 cm -3 with a dopant concentration x max of 4-7 %. However, unlike CdO:In, the μ of CdO:TM films drops rapidly from > 100 to < 10cm 2 /Vs as the dopant concentration x increases, so that they can only achieve a minimum ρ of ~ (1-2) × 10 -4 $\Omega$ cm, ~ a factor of 2-3 higher than that in CdO:In. As a result, free-carrier absorption and plasma reflection effects limit their optical transparency to <1200 nm. For most 3d TM dopants, a qualitatively higher d-donor level E d,donor gives rise to higher E F,max or a higher N max . Although at low x, the optical band gap E opt of CdO:TM follows the calculated values due to free-carrier effects, as x increases, E opt values are significantly higher than the calculated values. This is believed to be an effect of the anticrossing interaction of the localized d-levels and the extended CdO conduction-band (CB) states, giving rise to a lower occupied E - and an upper unoccupied E + subband. In conclusion, the restructured CBs have much flatter dispersion, which also results in a much higher effective mass $m^{\star}_{e}$, hence it can also explain the much lower μ of CdO:TM films with high N.

36 MATERIALS SCIENCE↗
DOE OSTI2026

pathSQE : an automated workflow for single-crystal inelastic neutron scattering data processing and analysis

Inelastic neutron scattering (INS) experiments utilizing modern time-of-flight spectrometers enable the comprehensive mapping of the energy (E)- and momentum (Q)-resolved dynamical structure factor of single crystals, probing both the lattice and magnetic excitations. Yet, the large size and complexity of four-dimensional INS data are challenging current analysis workflows, often resulting in an underutilization of the measured information. To help address this issue, this paper introduces new software interfaced with the Mantid framework, pathSQE, designed to streamline the processing, analysis and interpretation of 4D single-crystal INS data. By automating key tasks such as 1D/2D slicing, symmetrization, Brillouin zone folding, data visualization, prioritization and filtering, and comparisons with simulations, pathSQE facilitates and accelerates INS data analysis workflows. Here, this paper outlines the features and implementation and provides several illustrations of the use of pathSQE on data collected on single crystals using direct-geometry time-of-flight spectrometers at the Spallation Neutron Source, including Ge, FeSi, MnO and SnS single-crystal measurements on the ARCS, HYSPEC and CNCS neutron spectrometers. Beyond streamlining post-experiment data processing, pathSQE establishes an automated and modular processing pipeline that could support future real-time experiment steering.

36 MATERIALS SCIENCE↗
DOE OSTI2020

IRIXS: a resonant inelastic X-ray scattering instrument dedicated to X-rays in the intermediate energy range

A new resonant inelastic X-ray scattering (RIXS) instrument has been constructed at beamline P01 of the PETRA III synchrotron. This instrument has been named IRIXS (intermediate X-ray energy RIXS) and is dedicated to X-rays in the tender-energy regime (2.5–3.5 keV). The range covers the L 2,3 absorption edges of many of the 4delements (Mo, Tc, Ru, Rh, Pd and Ag), offering a unique opportunity to study their low-energy magnetic and charge excitations. The IRIXS instrument is currently operating at the Ru L 3 -edge (2840 eV) but can be extended to the other 4d elements using the existing concept. The incoming photons are monochromated with a four-bounce Si(111) monochromator, while the energy analysis of the outgoing photons is performed by a diced spherical crystal analyzer featuring (10$\bar{2}$ lattice planes of quartz (SiO 2 ). A total resolution of 100 meV (full width at half-maximum) has been achieved at the Ru L 3 -edge, a number that is in excellent agreement with ray-tracing simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Time Resolution Characterization of 4H-SiC LGADs with a 90 Sr Source

This work presents timing measurements of 4H-SiC Low Gain Avalanche Detectors (4H-SiC LGADs) using beta particles from a 90Sr source. The 4H-SiC LGADs exhibit fast signal responses, and a time resolution of 61 ps was achieved, comparable to that of standard Si LGADs. The present limitation in the time resolution of 4H-SiC LGADs appears to stem from limited charge generation. Nevertheless, their higher voltage tolerance and faster carrier drift suggest that, with increased charge collection, their timing performance could approach or even surpass that of Si LGADs. Furthermore, these results demonstrate the strong potential of 4H-SiC LGADs as a robust platform for precision timing in future 4D tracking detectors, while also highlighting that signal charge is the dominant factor currently limiting their performance, indicating that further optimization of gain and drift structures will be essential for future development.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

F-Hash: Feature-Based Hash Design for Time-Varying Volume Visualization via Multi-Resolution Tesseract Encoding

Interactive time-varying volume visualization is challenging due to its complex spatiotemporal features and sheer size of the dataset. Recent works transform the original discrete time-varying volumetric data into continuous Implicit Neural Representations (INR) to address the issues of compression, rendering, and super-resolution in both spatial and temporal domains. However, training the INR takes a long time to converge, especially when handling large-scale time-varying volumetric datasets. In this work, we proposed F-Hash, a novel feature-based multi-resolution Tesseract encoding architecture to greatly enhance the convergence speed compared with existing input encoding methods for modeling time-varying volumetric data. The proposed design incorporates multi-level collision-free hash functions that map dynamic 4D multi-resolution embedding grids without bucket waste, achieving high encoding capacity with compact encoding parameters. Our encoding method is agnostic to time-varying feature detection methods, making it a unified encoding solution for feature tracking and evolution visualization. Experiments show the F-Hash achieves state-of-the-art convergence speed in training various time-varying volumetric datasets for diverse features. We also proposed an adaptive ray marching algorithm to optimize the sample streaming for faster rendering of the time-varying neural representation.

deep learning↗
DOE OSTI2022

A Subspace-Inclusive Sampling Method for the Computational Design of Compositionally Graded Alloys

Abstract Compositionally graded alloys, a subclass of functionally graded materials (FGMs), utilize localized variations in composition with a single metal part to achieve higher performance than traditional single material parts. In previous work [Kirk, T., Galvan, E., Malak, R., and Arroyave, R., 2018, “Computational Design of Gradient Paths in Additively Manufactured Functionally Graded Materials,” J. Mech. Des., 140, p. 111410. 10.1115/1.4040816], the authors presented a computational design methodology that avoids common issues which limit a gradient alloy’s feasibility, such as deleterious phases, and optimizes for performance objectives. However, the previous methodology only samples the interior of a composition space, meaning designed gradients must include all elements in the space throughout the gradient. Because even small amounts of additional alloying elements can introduce new deleterious phases, this characteristic often neglects potentially simpler solutions to otherwise unsolvable problems and, consequently, discourages the addition of new elements to the state space. The present work improves upon the previous methodology by introducing a sampling method that includes subspaces with fewer elements in the design search. The new method samples within an artificially expanded form of the state space and projects samples outside the true region to the nearest true subspace. This method is evaluated first by observing the sample distribution in each subspace of a 3D, 4D, and 5D state space. Next, a parametric study in a synthetic 3D problem compares the performance of the new sampling scheme to the previous methodology. Lastly, the updated methodology is applied to design a gradient from stainless steel to equiatomic NiTi that has practical uses such as embedded shape memory actuation and for which the previous methodology fails to find a feasible path.

Engineering↗
DOE OSTI2022

Li 7 P 2 S 8 Br 0.5 I 0.5 (LPSBI) solid state electrolyte by XPS

There have been increasing surface characterization studies of battery materials specifically in the context of before and after cell operation to determine any chemical changes. Therefore, providing reliable reference spectra of battery-related materials is important. In this paper, survey and high-energy resolution data are reported for the solid-state electrolyte Li 7 P 2 S 8 Br 0.5 I 0.5 (LPSBI), which has been synthesized and characterized at Pacific Northwest National Laboratory. The current data presents narrow scan regions of I 3d, I 4d, Br 3d, O 1s, P 2p, S 2p, and C 1s core level spectra as well as wide-scan survey data that was obtained using Al K a x-ray source with a Thermo Fisher Nexsa instrument.

25 ENERGY STORAGE↗
DOE OSTI2025

Superconducting platinum silicide analyzed by x-ray photoelectron spectroscopy

Platinum silicide has garnered increased attention due to its potential applications as a superconductor within silicon technology. In this work, we characterize a superconducting PtSi film using x-ray photoelectron spectroscopy with an Al K α excitation source. Survey spectra, Pt 5s, Pt 4f, Pt 4d, Pt 4p, Pt 4s, Si 2p, Si 2s, O 1s core levels, and the valence band spectrum were measured. In conclusion, this collection of high-quality core level spectra of a superconducting PtSi film provide reference data for this material, which often has a minimal native silicon oxide layer and overlapping Si and Pt core level peaks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Dynamic sparse x-ray nanotomography reveals ionomer hydration mechanism in polymer electrolyte fuel-cell catalyst

Tomographic imaging of time-evolving samples is a challenging yet important task for various research fields. At the nanoscale, current approaches face limitations of measurement speed or resolution due to lengthy acquisitions. We developed a dynamic nanotomography technique based on sparse dynamic imaging and 4D tomography modeling. We demonstrated the technique, using ptychographic x-ray computed tomography as its imaging modality, on resolving the in situ hydration process of polymer electrolyte fuel cell (PEFC) catalyst. The technique provides a 40-time increase in temporal resolution compared to conventional approaches, yielding 28 nm half-period spatial and 12 min temporal resolution. The results allow a quantitative characterization of the water intake process inside PEFC catalysts with nanoscale resolution, which is crucial for understanding their electrochemical mechanisms and optimizing their performance. Our technique enables high-speed operando nanotomography studies and paves the way for wider application of dynamic tomography at the nanoscale.

Science & Technology - Other Topics↗
DOE OSTI2026

Strain mapping of three-dimensionally structured two-dimensional materials

Strain plays a crucial role in tuning materials’ properties, influencing their optical, electrical, and chemical performances. In two-dimensional (2D) materials, applied stress often induces out-of-plane deformation, resulting in a more intricate three-dimensional (3D) topography, where mapping the strain remains a challenge due to the limitations of conventional characterization techniques. In this work, we introduce BRIGHT (Bragg-Rod Informed, Gradient-based Height-mapping Technique), an integrated method for reconstructing both the topography and planar strain profile of 3D-structured 2D materials using nanobeam four-dimensional scanning transmission electron microscopy (4D-STEM). We apply BRIGHT to a MoS2-MoSe2 transition metal dichalcogenide (TMD) lateral heterojunctions exhibiting built-in strain and out-of-plane ripples and show that varying heterojunction widths lead to distinct surface morphologies and corresponding changes in the planar strain distribution. These results establish a foundation for more effective strain engineering in 2D materials by accounting for out-of-plane structural features, thereby enabling more precise control of strain-dependent properties.

Mireles, Adan [Rice Univ., Houston, TX (United Sta↗
DOE OSTI2024

Kerr black hole evaporation and Page curve

In this paper, we compute the black hole entropy and the entanglement entropy of Hawking radiations due to photons during the evaporation of a 4D asymptotically flat Kerr black hole. The Page curve for the Kerr black hole is obtained in the original way à la Page, and it qualitatively mimics the curve for the Schwarzschild black hole but has some new features.

Astronomy & Astrophysics↗
DOE OSTI2025

Depth-Resolved Lithiated Gradients in Pristine and Laser-Ablated Anodes During Fast Charging

Laser ablating 3D electrode microstructures is a technique to improve Li-ion battery fast-charge performance. This technique has been theoretically proposed and electrochemically validated previously in the literature. The fundamental principle underlying laser ablation is that the ablated features reduce Li-ion transport pathways, improving access to the electrode active material near the current collector. This, in turn, promotes more homogeneous electrode utilization. The present study seeks to directly affirm the physics attributed to laser ablation using operando high-speed synchrotron X-ray diffraction. In this study, depth-resolved graphite lithiation gradients are measured operando during high-rate (15 min) charging. The depth-resolved lithiation dynamics of both ablated and non-ablated anodes are compared. The results highlight that the laser-ablated graphite electrode has notably more homogeneous utilization as compared to the non-ablated electrode. Additionally, the ablated electrode has a significant delay in reaching the maximum graphite lithiation at the separator, indicating less propensity for lithium plating. During low rate delithiation/discharge (2 hr), the two cells' lithiation gradients converge. Notably, a calibrated physics-based electrochemical model accurately reflects experimental findings, suggesting the potential to use pseudo-4D models not only to optimize laser ablation parameters in fast-charge capable electrodes but also to guide fast charging protocols that avoid lithium plating.

25 ENERGY STORAGE↗
DOE OSTI2026

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

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

Electron microscopy↗
DOE OSTI2022

Tailored approach to study Legionella infection using a lattice light sheet microscope (LLSM)

Legionella is a genus of ubiquitous environmental pathogens found in freshwater systems, moist soil, and composted materials. More than four decades of Legionella research has provided important insights into Legionella pathogenesis. Although standard commercial microscopes have led to significant advances in understanding Legionella pathogenesis, great potential exists in the deployment of more advanced imaging techniques to provide additional insights. The lattice light sheet microscope (LLSM) is a recently developed microscope for 4D live cell imaging with high resolution and minimum photo-damage. We built a LLSM with an improved version for the optical layout with two path-stretching mirror sets and a novel reconfigurable galvanometer scanner ( RGS ) module to improve the reproducibility and reliability of the alignment and maintenance of the LLSM. We commissioned this LLSM to study Legionella pneumophila infection with a tailored workflow designed over instrumentation, experiments, and data processing methods. Our results indicate that Legionella pneumophila infection is correlated with a series of morphological signatures such as smoothness, migration pattern and polarity both statistically and dynamically. Our work demonstrates the benefits of using LLSM for studying long-term questions in bacterial infection. Our free-for-use modifications and workflow designs on the use of LLSM system contributes to the adoption and promotion of the state-of-the-art LLSM technology for both academic and commercial applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Snapshot multifocal light field microscopy

Light field microscopy (LFM) is an emerging technology for high-speed wide-field 3D imaging by capturing 4D light field of 3D volumes. However, its 3D imaging capability comes at a cost of lateral resolution. In addition, the lateral resolution is not uniform across depth in the light field dconvolution reconstructions. To address these problems, here, we propose a snapshot multifocal light field microscopy (MFLFM) imaging method. The underlying concept of the MFLFM is to collect multiple focal shifted light fields simultaneously. We show that by focal stacking those focal shifted light fields, the depth-of-field (DOF) of the LFM can be further improved but without sacrificing the lateral resolution. Also, if all differently focused light fields are utilized together in the deconvolution, the MFLFM could achieve a high and uniform lateral resolution within a larger DOF. We present a house-built MFLFM system by placing a diffractive optical element at the Fourier plane of a conventional LFM. The optical performance of the MFLFM are analyzed and given. Both simulations and proof-of-principle experimental results are provided to demonstrate the effectiveness and benefits of the MFLFM. We believe that the proposed snapshot MFLFM has potential to enable high-speed and high resolution 3D imaging applications.

He, Kuan↗
DOE OSTI2020

Utah FORGE: Phase 3 Microgravity Data

A 4D microgravity survey began in early 2019 in order to benchmark surface and subsurface elevations prior to Phase 3 drilling and stimulation campaigns. Microgravity stations are collocated with GPS deformation benchmarks and use the same location survey data. Surveys are undertaken on a quarterly basis. The focus of current activities is comparative analysis of GPS survey results and InSAR analysis (see GDR Submission 1251) to check seasonal variance and to evaluate possible changes in the groundwater elevation. The attached zip file contains a text file and an Excel spreadsheet containing Utah FORGE Phase 3 processed "final" microgravity data through time. The data are identical in both files. The spreadsheet is only supplied for convenience. There is also a ReadMe.txt file that describes the field headings.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

On the progress of 3D-printed hydrogels for tissue engineering

Additive manufacturing or more commonly known as 3D printing, is currently driving innovations and applications in diverse fields such as prototyping, manufacturing, aerospace, education, and medicine. Recent technological and materials research breakthroughs have enabled 3D bioprinting, where biomaterials and cells are used to create scaffolds and functional living tissues (e.g. skin, cartilage, etc.). This prospective focuses on the classification and applications of hydrogels, and design considerations in their production (i.e. physical and biological parameters). Herein, the materials for 3D printing of hydrogels, such as biopolymers, synthetic polymers, and nanocomposites, are mainly discussed. More importantly, future perspectives on 3D printing hydrogels including new materials, 4D printing, emerging printing technologies, etc. and their importance in biomedical and bioengineering applications are discussed.

36 MATERIALS SCIENCE↗