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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Band-gap reduction and band alignments of dilute bismide III–V alloys

Adding a few atomic percent of Bi to III–V semiconductors leads to significant changes in their electronic structure and optical properties. Bismuth substitution on the pnictogen site leads to a large increase in spin-orbit splitting Δ SO at the top of the valence band (Γ 8⁢𝑣 −Γ 7⁢𝑣 ) and a large reduction in the band gap, creating unique opportunities in semiconductor device applications. Quantifying these changes is key to the design and simulation of electronic and optoelectronic devices. Using hybrid functional calculations, we predict the band gap of III–Vs (III = Al, Ga, In and V = As, Sb) with low concentrations of Bi (3.125% and 6.25%), the effects of adding Bi on the valence- and conduction-band edges, and the band offset between these dilute alloys and their III–V parent compounds. As expected, adding Bi raises the valence-band maximum (VBM). However, contrary to previous assumptions, the conduction-band minimum (CBM) is also significantly lowered, and both effects contribute to the sizable band-gap reduction. Changes in band gap and Δ SO are notably larger in the arsenides than in the antimonides. In conclusion, we also predict cases of band-gap inversion (Γ 6⁢𝑐 below Γ 8⁢𝑣 ), and Δ SO larger than the band gap, which are key parameters for designing topological materials and for minimizing losses due to Auger recombination in infrared lasers.

Saboor, Abdul [Univ. of Delaware, Newark, DE (Unit↗
NASA NTRS1972

Rotor windage losses for Lundell alternators.

A range of experimental data was generated to permit accurate calculation of the windage power loss for Lundell alternator design. Windage tests were conducted on two concentric rotor-stator configurations in ambient air, producing Reynolds numbers as high as 100,000. Cylindrical rotors 10 and 12 inches in diameter were operated up to 24,000 rpm, and an 8 inch diameter Lundell rotor was operated up to 36,000 rpm. Gap-to-radius ratios of 0.01, 0.02 and 0.04 were tested. Tests were also conducted with axial slots machined on the stator surfaces to simulate alternator winding slots. Using the data obtained, a method was developed to calculate the windage loss for any Lundell alternator given the geometry and cavity conditions.

Gorland, S. H.↗
DOE OSTI2025

Hierarchical Hybrid Multifunctional Materials through Interface Engineering

This project focuses on the development of stimuli-responsive hybrid multifunctional materials. We place emphasis on the design, synthesis, structural characterization, evaluation of functional properties (electronic, thermal and optical) of several (1-x)Cu 2 Se/(x)WBGS hierarchical bulk composites between Cu 2 Se, a narrow band gap semiconductor (NBGS), with a range of wider band gap semiconductors (WBGS) such as CuMSe 2 (M = Al, Ga, In, Fe, Cr) and Cu 4 TiSe 4 . Cu2Se is a well-studied NBGS with excellent thermoelectric properties (high electrical conductivity, large thermopower, etc.) while CuMSe 2 and Cu 4 TiSe 4 are high performance solar absorber materials (large band gap, large absorption coefficient, etc.). Our primary objectives are (i) to demonstrate the ability to integrate dissimilar functional properties such as large optical absorption coefficient and high electronic conductivity, within (1-x)Cu 2 Se/(x)WBGS composite; and (ii) to establish the correlation between the hierarchical structural entanglement of Cu 2 Se with WBGS (CuMSe 2 or Cu 4 TiSe 4 ) phase, the interactions between native electronic defects within the coexisting phases in the resulting (1-x)Cu 2 Se/(x)WBGS bulk composites , and the impacts on their electronic conductivity, thermal transport and optical properties.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Overview of NASA's Break the Ice Lunar Challenge

This paper provides the background, status and ongoing plans by NASA’s CentennialChallenges Program (CCP) in developing “Break the Ice Lunar Challenge”. This challenge will enable the development of excavation technologies that can operate in the extreme conditions on the Moon. As a direct result of NASA’s Space Policy Directive 1 (To the Moon, then Mars”), CCP organized a kickoff meeting in October 2019 where Subject Matter Experts (SME) from various NASA centers got together and identified the technology gaps in the areas of Lunar Excavation, Manufacturing, and Construction. Following the kickoff meeting, CCP in partnership with external challenge consultants conducted in-depth interviews with experts from academia, industry, and NASA over a period of two months to further identify any technology gaps and the status of the current state of the art technologies in these areas. Through these activities, we determined that there is sufficient need and opportunity to move forward and develop this into a robust challenge. As a nextstep, CCP organized a workshop in February 2020 where experts from academia, industry, NASA, and other government agencies met to validate the specific technology need and prioritize those needs in such a way that the potential challenge can address the high priority needs. Since the completion of this workshop, a core challenge development team has been working on the challenge scenarios, rules, and requirements with the goal to open the challenge in Nov 2020.

Centennnial Challenges↗
DOE OSTI2021

New Solids in As-O-Mo, As(P)-O-Mo(W) and As(P)-O-Nb(W) Systems That Exhibit Nonlinear Optical Properties

Interactions between well-mixed fine powders of As 2 O 3 , P 2 O 5 , MoO 3 , WO 3 and Nb 2 O 5 at different stoichiometry in quartz ampoules under vacuum at ~1000 °C in the presence of metallic molybdenum (or niobium), over several weeks, led to shiny dichroic crystalline materials being formed in cooler parts of the reaction vessel. An addition of small quantities of metals-Mo or Nb-was made with the aim of partially reducing their highly oxidized Mo(VI), W(VI) or Nb(V) species to corresponding Mo(V), W(V) and Nb(IV) centers, in order to form mixed valence solids. Sublimed crystals of four new compounds were investigated using a variety of techniques, with prime emphasis on the X-ray analysis, followed by spectroscopy (diffusion reflectance, IR, Raman and EPR), second harmonic generation (SHG), thermal analysis under N 2 and air atmosphere, and single crystals electrical conductivity studies. The results evidenced the formation of new complex solids of previously unknown compositions and structures. Three out of four compounds crystallized in non-centrosymmetric space groups and represent layered 2D polymeric puckered structures that being stacked on each other form 3D lattices. All new solids exhibit strong second-harmonic-generation (SHG effect; based on YAG 1064 nm tests with detection of 532 nm photons), and a rare photosalient effect when crystals physically move in the laser beam. Single crystals’ electrical conductivity of the four new synthesized compounds was measured, and the results showed their semiconductor behavior. Values of band gaps of these new solids were determined using diffusion reflectance spectroscopy in the visible region. Aspects of new solids’ practical usefulness are discussed.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Preliminary Gap Analysis of Existing IEEE 1547 and IEEE 2800 Standards Towards GFM Technology

This document describes the tests that are conducted on generic grid-forming (GFM) distributed energy resource (DER) and inverter-based resource (IBR) models to check if the performance of the model aligns respectively with the IEEE Std 1547 TM -2018 and IEEE Std 2800 TM -2022 requirements. For the IEEE Std 1547 TM -2018 requirements, specifically the tests related to volt-var requirements and frequency droop requirements are conducted. For the IEEE Std 2800 TM -2022 requirements, specifically the tests conducted are related to reactive- power-voltage control requirements, active-power-frequency response requirements, voltage disturbance ride through requirements and phase jump ride through requirements. This is an initial draft/document. There are many more tests still yet to be done to further verify if the existing standards have a gap or inadvertent barrier to GFM technology.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Exploring the Role of Cryptic Nitrogen Fixers in Terrestrial Ecosystems: A Frontier in Nitrogen Cycling Research

Biological nitrogen fixation represents the largest natural flux of new nitrogen (N) into terrestrial ecosystems, providing a critical N source to support net primary productivity of both natural and agricultural systems. When they are common, symbiotic associations between plants and bacteria can add more than 100 kg N ha –1 y –1 to ecosystems. Yet, these associations are uncommon in many terrestrial ecosystems. In most cases, N inputs derive from more cryptic sources, including mutualistic and/or free-living microorganisms in soil, plant litter, decomposing roots and wood, lichens, insects, and mosses, among others. Unfortunately, large gaps remain in the understanding of cryptic N fixation. Here, we conducted a literature review to explore rates, patterns, and controls of cryptic N fixation in both unmanaged and agricultural ecosystems. Our analysis indicates that, as is common with N fixation, rates are highly variable across most cryptic niches, with N inputs in any particular cryptic niche ranging from near zero to more than 20 kg ha –1 y –1 . Such large variation underscores the need for more comprehensive measurements of N fixation by organisms not in symbiotic relationships with vascular plants in terrestrial ecosystems, as well as identifying the factors that govern cryptic N fixation rates. We highlight several challenges, opportunities, and priorities in this important research area, and we propose a conceptual model that posits an interacting hierarchy of biophysical and biogeochemical controls over N fixation that should generate valuable new hypotheses and research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Uncertainty analysis for techno-economic and life-cycle assessment of wet waste hydrothermal liquefaction with centralized upgrading to produce fuel blendstocks

Wet waste hydrothermal liquefaction is a promising technology for producing transportation fuels with much lower greenhouse gases emissions than petroleum-based fuels. However, its techno-economic and life cycle assessment are primarily based on laboratory scale testing data, subject to considerable uncertainties, and even bias, due to knowledge gaps. Here, a preliminary uncertainty analysis of key economic measures was conducted based on the 2019 state-of-technology model for biocrude production. Building on the preliminary analysis, this work presents a comprehensive uncertainty analysis in both economic and environmental measures of the entire supply chain of wet waste hydrothermal liquefaction to fuel blendstocks including biocrude upgrading based on the 2021 state-of-technology model. The analysis includes the most recent developments in hydrothermal liquefaction and biocrude upgrading technologies and Monte Carlo simulation based on an integrated model system including an improved reactor yield model, reduced-order process model, discounted cash flow economic model and simplified life-cycle assessment model. The estimated biocrude yield ranges from 42.2% to 52.4% with a median of 47.3%. The estimated fuel yield ranges from 34.7% to 42.7% with a median of 38.7%. The estimated minimum fuel selling price ranges from $\$ $2.28/gge to $\$ $3.45/gge with a median of $\$ $2.80/gge. Relative to petroleum-derived diesel, the estimated reduction in supply chain greenhouse gas emissions ranges from 73.4% to 81.8% with a median of 77.7%. Compared to the 2019 state-of-technology analysis, a significant improvement in biocrude selectivity and economic measures and reduction in uncertainties were achieved due to the incorporation of additional continuous experimental data sets, technology development and de-risking, and improvement in model accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Crystal Structure and Properties of Layered Pnictides BaCuSi2Pn3 (Pn = P, As)

Two novel layered compounds BaCuSi 2 Pn 3 (Pn = P, As) adopting new structure types are reported. As revealed by single-crystal X-ray diffraction, both compounds are composed of unique Cu–Si–Pn layers featuring CuPn 3 and Si 2 Pn 6 structural motifs found in other archetypal pnictide materials. The stacking of the isostructural Cu–Si–Pn layers is different for phosphide and arsenide compounds. Synthesis from elements aided by in situ synchrotron powder X-ray diffraction resulted in the obtainment of bulk powders with a minimized amount of admixtures. Experimentally measured physical properties of BaCuSi 2 As 3 unexpectedly showed metal-like behavior at temperatures above 15 K, despite the fact that density functional theory calculations predict a small band gap of 0.4 eV. BaCuSi 2 As 3 exhibits ultralow thermal conductivity, which can be explained by the combination of a layered crystal structure with alternating covalent and ionic bonding, which feature rattling of Cu atoms similar to that in tetrahedrites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO 2

Ultrawide-band-gap (UWBG) semiconductors are promising for fast, compact, and energy-efficient power-electronics devices. Their wider band gaps result in higher breakdown electric fields that enable high-power switching with a lower energy loss. Yet, the leading UWBG semiconductors suffer from intrinsic materials' limitations with regard to their doping asymmetry that impedes their adoption in CMOS technology. Improvements in the ambipolar doping of UWBG materials will enable a wider range of applications in power electronics as well as deep-UV optoelectronics. These advances can be accomplished through theoretical insights on the limitations of current UWBG materials coupled with the computational prediction and experimental demonstration of alternative UWBG semiconductor materials with improved doping and transport properties. As an example, we discuss the case of rutile GeO2 (r-GeO 2 ), a water-insoluble GeO 2 polytype, which is theoretically predicted to combine an ultra-wide gap with ambipolar dopability, high carrier mobilities, and a higher thermal conductivity than β-Ga 2 O 3 . The subsequent realization of single-crystalline r-GeO 2 thin films by molecular beam epitaxy provides the opportunity to realize r-GeO 2 for electronic applications. Future efforts toward the predictive discovery and design of new UWBG semiconductors include advances in first-principles theory and high-performance computing software, as well as the demonstration of controlled doping in high-quality thin films with lower dislocation densities and optimized film properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Feasibility Assessment of a Natural-Circulation Salt Irradiation Loop in the Advanced Test Reactor

Molten-salt reactors will likely require some level of irradiation testing as part of their licensing basis. An ideal experiment would consider the integrated effect of neutron flux and fission product generation in addition to circulating flow conditions. The feasibility of a natural-circulation irradiation salt loop in the Advanced Test Reactor (ATR) is assessed here. The flow is induced by the innovative combination of gas gaps and fin gaps along the capsule wall to fine-tune radial heat conductance, and therefore drive an axial temperature gradient across the experiment height. Following multiple design optimizations, a promising configuration has been identified. The 45-kW experiment would generate a 0.15 m/s flow velocity with 6 kg of fuel-bearing salt. This demonstrates the possibility of generating appreciable flow rates within manageable experimental conditions (e.g., total size and heat generation). An initial assessment of species mass tracking inside the experiment was also performed to gain an understanding of radionuclide behavior within the system. Results showed that significant quantities of Xe can be extracted in the off-gas (1.7 kCi) for an 8% bubble removal efficiency rate. Here, these results highlight the potential value of such experiments. Further work will involve detailed engineering drawings and analyses of the loop, as well as more computationally expensive modeling of species mass tracking.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Thermal transport properties of IrSbSe

Here we report a thermal transport study of IrSbSe, which crystallizes in a noncentrosymmetric cubic structure with the P2 1 3 space group and shows a narrow-gap semiconducting behavior. The large discrepancy between the activation energy for conductivity [E ρ = 128(2) meV] and for thermopower [E S = 17.7 (9) meV] from 200 to 300 K indicates a polaronic transport mechanism. The electrical resistivity varies as exp (T 0 /T) 1/4 and thermopower varies as T 1/2 at low temperatures, indicating that it evolves into Mott variable-range hopping dominant conduction with decreasing temperature. IrSbSe shows a relatively low value of thermal conductivity (~1.65 W/Km) and thermopower of about 0.24 mV/K around 100 K, yet poor electrical conductivity. On the other hand, a high vacancy defect concentration on both Ir and Sb atomic sites of up to 15% suggests a high defect tolerance and points to the possibility of a future improvement of carrier density by chemical substitution or defect optimization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Current-enabled optical conductivity of superconductors

In most superconductors, optical excitations require impurity scattering or the presence of multiple bands. This is because in clean single-band superconductors, the combination of particle-hole and inversion symmetries prevents momentum-conserving transitions. In this Letter we show how the flow of supercurrent can lead to new contributions to optical conductivity. As the supercurrent breaks inversion symmetry, transitions across the superconducting gap become allowed even in clean superconductors and dominate over impurity-induced contributions for energies comparable to the gap width. Further, the response is dependent on the nature of the underlying normal state as well as on the type of superconducting order. Use of an external magnetic field to produce a screening supercurrent with controllable magnitude and direction, enables a detailed investigation of the superconducting state, allowing determination of the gap symmetry in unconventional superconductors for which other techniques have not been practicable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Nonmonotonic Band Flattening near the Magic Angle of Twisted Bilayer MoTe 2

Twisted bilayer MoTe 2 (tMoTe 2 ) is an emergent platform for exploring exotic quantum phases driven by the interplay between nontrivial band topology and strong electron correlations. Direct experimental access to its momentum-resolved electronic structure is essential for uncovering the microscopic origins of the correlated topological phases therein. Here, we report angle-resolved photoemission spectroscopy measurements of tMoTe 2 , revealing pronounced twist-angle-dependent band reconstruction shaped by orbital character, interlayer coupling, and moiré potential modulation. Density functional theory captures the qualitative evolution, yet underestimates key energy scales across twist angles, highlighting the importance of electronic correlations. Notably, the hole effective mass at the 𝐾 point exhibits a nonmonotonic dependence on twist angle, peaking near 2°, consistent with band flattening at the magic angle predicted by continuum models. Via electrostatic gating and surface dosing, we further visualize the evolution of electronic structure versus doping, enabling direct observation of the conduction band minimum and confirm tMoTe 2 as a direct band gap semiconductor. These results establish a spectroscopic foundation for modeling and engineering emergent quantum phases in this moiré platform.

2D materials↗
DOE OSTI2022

An Evaluated, Transient Experiment based on Simultaneous, 3-D Neutron-Flux and Temperature Measurements

There is substantial interest in the validation of transient models for reactor physics, particularly in support of next-generation, high-fidelity tools like those developed by the U.S. DOE and other institutions. However, much existing data is limited largely to sparse or integral measurements in very large, complicated reactor systems. Moreover, meaningful transients are almost always driven by the complex coupling between neutronics and thermal-hydraulics. To address this data gap, a series of steady-state and transient experiments was conducted at the University of Wisconsin Nuclear Reactor that used several probes containing micro-pocket fission detectors (MPFDs) to measure neutron fluxes or resistance temperature detectors (RTDs) to measure coolant temperatures. Here, an overview of the experimental campaign is provided, as is a preliminary look of selected measurements.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

TOGETs Overview

The Transmission Optimization with Grid Enhancing Technologies (TOGETs) project will guide future research to fill in gaps on publicly available knowledge of Grid Enhancing Technologies (GETs) and conduct a full scale, multi-faceted field exercise. Ultimately the project aims to test, verify and validate deployed GETs in a transmission system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Validating a Tethered Balloon System and Optical Technologies for Marine Wildlife Detection and Tracking

The interactions between marine wildlife and marine energy devices are not well understood, leading to regulatory delays for device deployments and testing. Technologies that enable marine wildlife observations can help to fill data gaps and reduce uncertainties about animal–device interactions. A validation test conducted in Galveston Bay near La Porte, Texas, in December 2022 used a technology package consisting of a tethered balloon system and three independent sensor systems, including three-band visible, eight-band multispectral, and single-band thermal to detect three marine-mammal-shaped surrogates. The field campaign aimed to provide an initial step to evaluating the use of the TBS and the effectiveness of the sensor suite for marine wildlife observations and detection. From 2 December to 7 December 2022, 6 flights were conducted under varying altitudes and environmental conditions resulting in the collection of 5454 images. A subset of the images was classified and analyzed with two collection criteria including Beaufort wind force scale and TBS altitude to assess a range of observations of a surrogate from near-shore to offshore based on pixel count. The results of this validation test demonstrate the potential for using TBSs and imaging sensors for marine wildlife observations and offer valuable information for further development and application of this technology for marine energy and other blue economy sectors.

47 OTHER INSTRUMENTATION↗
NASA NTRS1983

Application of a global variational analysis to quasi three-dimensional temperature retrievals

The Halen and Kalnay (1983) hypothesis that the application of global variational analysis to clear column radiances will result in a reduction of both observational noise and data gaps is tested, together with the hypothesis of these authors that the estimate of clear column radiances furnished by the variational analysis can yield a useful reduction of the data gaps in the retrieved temperatures. In the first of two experiments conducted, attention is given to whether the nonlinearity of the temperature retrieval method is sufficiently strong to result in more accurate temperature retrievals. In the second experiment, realistic subgrid scale cloud fields and observational and temperature errors are included in the simulation system.

Dalcher, A.↗