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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Epitaxy of Beta-Ga2O3 on Highly-Offcut (Greater than 10 Degrees) Substrates

Beta-Ga2O3 has emerged as a leading candidate for next-generation power electronics, radio frequency (RF) switches, and extreme environment electronics due to a wide band gap (4.6 - 4.9 eV), high dopability (approximately 40 meV activation energy for an isolated silicon donor), and melt growth characteristics resulting in commercially available 4-inch substrates and commercial demonstrations of 6-inch substrates by multiple techniques. The (100) surface of Ga2O3 is highly desirable from a device and epitaxy standpoint - bulk growth of (100) material is more scalable than (010), the surface is nearly lattice-matched to p-type partner NiO, and Al2O3 incorporates at higher concentrations without phase separation. However, the epitaxial growth rate on (100) surfaces is less than 10% of other faces due to weak bonding and favorable desorption. Recent demonstrations have shown growth rate improvements from 0.4 nm/min to 1.5 nm/min by growing on (100) wafers that are offcut 6 degrees in the -c direction.1 These films show step-flow growth from (-201) step-edges and high electron mobility. Despite these exciting results, offcuts greater than 6 degrees have not been explored due to the waste associated with grinding and polishing large offcuts. In this talk we will discuss the molecular beam epitaxy (MBE) growth and properties of Beta-Ga2O3 grown on (100) substrates offcut in the -c direction up to 13.4 degrees. These large offcuts are enabled by edge-fed film-defined growth (EFG) where the offcut is grown into the surface by pulling the crystal through the EFG die with the seed crystal rotated by the desired offcut angle. We will demonstrate that 13.4 degrees offcut substrates still exhibit a terraced (100) surface, and that a >10x increase (4.8 nm/min) in growth rate is achieved. As previously reported on lower offcuts, we observe 100% reversal of substrate twin domains around the (001) direction at the substrate-epilayer interface. We will discuss electrical properties including record-low (by MBE) unintentional doping densities of < 5E15 cm-3.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The DREAM approach to demand-side emissions reductions in Indonesia, 2020–2060

Indonesia’s current energy system modeling is heavily focused on the supply side, but emissions reductions in the demand sector have a significant impact on advancing Indonesia’s ambitious emissions reductions goals. To address the gap, we develop a new modeling tool DREAM Indonesia based on a bottom-up, technology-rich demand side framework and formulate projections of demand-side emissions reductions in Indonesia in 2020–2060. We find that demand-side energy efficiency and electrification can halve the growth rate of final energy demand to 1.4% annually over 2020–2060 and reverse the growing trend of emissions. The feasibility of full electrification by 2060, coupled with rapid adoption of existing technologies, positions the building sector as a model for achievable decarbonization and a cornerstone of Indonesia’s emissions reductions ambitions. In the industrial sector, extensive emissions reductions of 87% by 2060 (compared to business-as-usual) are achievable through energy efficiency improvements, alongside enhanced material efficiency measures including optimized material usage, low-carbon substitutions, innovative technologies, and increased circularity. In the transportation sector, balancing final energy demand by incorporating energy efficiency improvements across all transport modes, along with electrification particularly in road transportation, could decrease the emissions by up to 82% in 2060 compared to business-as-usual. This study provides insights and modeling approaches for rapidly growing Asian economies as well as other developing countries facing combined development and decarbonization challenges.

DREAM Indonesia↗
NASA NTRS1978

The behavior of a convergent plate boundary - Crustal deformation in the South Kanto district, Japan

The northwesternmost part of the Sagami trough, a part of the Philippine Sea-Eurasian plate boundary, was ruptured during the great South Kanto earthquake in 1923. Very extensive and frequent geodetic measurements of crustal deformation have been made in the South Kanto district since the 1890's, and these constitute the most complete data set on crustal movements in the world. These data were reanalyzed and interpreted and according to our interpretation indicate the following sequence of events. The coseismic movements were due to oblique thrust and right lateral slip of about 8 m on a fault outcropping at the base of the Sagami trough. This was followed by postseismic deformation resulting from reversed afterslip of 20-60 cm that occurred at an exponentially decaying rate in time. The interseismic deformation is produced by steady subduction at a rate of about 1.8 cm/yr. During subduction the top 10-15 km of the plate boundary is apparently locked, while deeper parts slip aseismically at an irregular rate. No significant precursory deformation was observed. The recurrence time for 1923 type earthquakes is 200-300 years. The Boso and Miura peninsulas are broken into a series of fault-bound blocks that move semi-independently of the surrounding region. The subduction zone itself, where it is exposed on land, is shown to be a wide zone encompassing several faults that are active at different times.

Scholz, C. H.↗
NASA NTRS1978

Microprocessor controlled advanced battery management systems

The advanced battery management system described uses the capabilities of an on-board microprocessor to: (1) monitor the state of the battery on a cell by cell basis; (2) compute the state of charge of each cell; (3) protect each cell from reversal; (4) prevent overcharge on each individual cell; and (5) control dual rate reconditioning to zero volts per cell.

W. T. Payne↗
NASA NTRS1982

Quantitation of chlorpromazine-bound calmodulin during chlorpromazine inhibition of gravitropism

The regulatory protein, calmodulin (CaM), controls the activity of a plasma membrane localized ATPase in plants which serves to pump calcium out of cells. Recent data are consistent with the hypothesis that activation of this pump is one of the early steps necessary for gravitropism. Chlorpromazine (CPZ), a CaM antagonist, reversibly inhibits gravitropism in oat coleoptiles at concentrations which permit normal growth rates. C-14-labeled CPZ was used to photo-affinity label endogenous CaM in vivo to learn whether the drug is actually binding to some portion of endogenous CaM when it inhibits gravitropism. Under conditions in which CPZ inhibits gravitropism for over an hour, at least 11% of the CaM in gravitropically stimulated coleoptiles is bound to CPZ. In a given CPZ experiment the degree of inhibition of gravitropism correlates well with the amount of CaM bound to CPZ.

Roux, S. J.↗
NASA NTRS1993

Experimental investigations of the time and flow-direction responses of shear-stress-sensitive liquid crystal coatings

Time and flow-direction responses of shearstress-sensitive liquid crystal coatings were explored experimentally. For the time-response experiments, coatings were exposed to transient, compressible flows created during the startup and off-design operation of an injector-driven supersonic wind tunnel. Flow transients were visualized with a focusing Schlieren system and recorded with a 1000 frame/sec color video camera. Liquid crystal responses to these changing-shear environments were then recorded with the same video system, documenting color-play response times equal to, or faster than, the time interval between sequential frames (i.e., 1 millisecond). For the flow-direction experiments, a planar test surface was exposed to equal-magnitude and known-direction surface shear stresses generated by both normal and tangential subsonic jet-impingement flows. Under shear, the sense of the angular displacement of the liquid crystal dispersed (reflected) spectrum was found to be a function of the instantaneous direction of the applied shear. This technique thus renders dynamic flow reversals or flow divergences visible over entire test surfaces at image recording rates up to 1 KHz. Extensions of the technique to visualize relatively small changes in surface shear stress direction appear feasible.

Reda, Daniel C.↗
NASA NTRS2019

Modeling Spectral Degradation of MODIS and VIIRS Solar Diffusers

Solar diffusers (SDs) onboard the Moderate Resolution Imaging Spectroradiometer (MODIS) on Terra and Aqua spacecraft and the Visible Infrared Imaging Radiometer Suite (VIIRS) on SNPP and NOAA-20 spacecraft have been used as the primary onboard radiometric calibrator for reflective solar bands and their spectral reflectance is known to degrade on-orbit. All of the solar diffusers on these instrument show faster degradation of reflectance in the 0.4 to 0.6 µm channels than the longer wavelength channels. The spectral degradation of these SDs is due to the surface roughness growth under the exposure to solar UV and energetic particle radiation in space. In this paper, the origin of SD degradation is modeled by the physics-based Surface Roughness-induced Rayleigh Scattering (SRRS) model. The longterm growths of surface roughness of the SD on these instruments are characterized to show the consistency of SD roughness growth rates between Terra/Aqua MODIS and SNPP/NOAA-20 VIIRS. There was coincidental flattening or reverse in the growth trend of the surface roughness for the Terra/Aqua MODIS and SNPP VIIRS SDs, which can be due to the space weather variation. The applicability of the SRRS model is demonstrated with the long term spectral reflectance data from independent spaceborne SDs.

Calibration↗
DOE OSTI2022

Tuning working potential of silicon-phosphorus anode via microstructure control for high-energy lithium-ion batteries

The primary research on anode materials of lithium-ion batteries have been focused on increasing the specific capacity, while the working potential that is also closely related to the practical energy density of batteries has been paid much less attention. In this paper, starting from micrometer-sized silicon and black phosphorus, we have reported a high-energy silicon-phosphorus/carbon anode (denoted as mSPC) via a high-energy ball milling process, which demonstrates an average discharge working potential of 0.3 volts versus lithium, together with a high reversible capacity of > 2000 mAh/g, high initial coulombic efficiency of 84%, excellent cycle stability, and superior rate capability up to 15 A/g. Furthermore, in situ focused-ion-beam scanning electron microscopy reveals that the volume change of the mSPC anode during repeated (de) lithiation is effectively alleviated. In contrast, starting from nanometer-sized silicon, the resulted anode (denoted as nSPC) not only presents a lower reversible capacity (~1200 mAh/g), but also exhibits a higher charge/discharge working potential, leading to reduced energy density. Our results indicate the importance of composition/structure control in tailoring the working potential and specific capacity of alloying-type anodes towards high-energy lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Waste to worth: A high-temperature water-gas shift magnetite catalyst with encapsulated core-shell structure from coal fly ash

In this paper, we demonstrate the synthesis of magnetite-based, encapsulated catalyst with a core-shell structure from coal fly ash, an industrial solid waste, and its application to industrially important high temperature water-gas shift reaction (HT-WGSR). The catalyst precursor was first synthesized through a leaching-precipitation-hydrothermal process, leading to the formation of a nanosheet-like hematite precursor consisting of Fe 3+ as primary element and minor cations including Al 3+ , Mg 2+ and other cations (e.g. Ca 2+ and Ti 4+ ). During the WGSR, the nanosheets broke into smaller particles with a core of magnetite with a diameter of ~20 nm, whereas the inherent impurity elements were activated and migrated to the outer surface forming a shell with a thickness of ~4 nm. Due to the protection of shell, the as-synthesized catalyst exhibited improved activity, thermal stability and long-term durability for HT-WGSR at 400 °C and 450 °C. Compared to the pure hematite, this catalyst exhibited much higher activity and stability, i.e., increased CO conversion and decreased deactivation rate constant, by a factor of four and three, respectively. Additionally, through a bottom-up reverse synthesis, we have confirmed that Al 3+ functioned as a textual promoter enhancing the interfacial area of the catalyst. On the other hand, the presence of minor impurity elements, in particular 2.58 wt% Mg 2+ and 0.18 wt% Ti 4+ , were found to increase the basicity, and promote the adsorption rate of CO, the redox of catalysts, and the alteration of the reaction mechanism from regenerative to associative with the formation of a strong intermediate formate. Finally, this study not only opens a new direction on the valorization of solid waste into high-value catalysts, promoting the sustainability of solid waste management, but also provides an alternative, cost-effective and scalable approach for the design and fine-tuning of encapsulated catalysts.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Highly reversible Li 2 RuO 3 cathodes in sulfide-based all solid-state lithium batteries

The practical application of high-capacity lithium-rich cathode materials in lithium-ion batteries has been largely restricted by severe side reactions with electrolytes. Herein, we report a highly stable lithium-rich Li 2 RuO 3 cathode by forming a passivating solid electrolyte interphase at the interface with a sulfide solid electrolyte such as Li 6 PS 5 Cl in all-solid-state lithium batteries (ASSLBs), which efficiently suppresses serious parasitic interfacial reactions and fast-increasing interfacial impedance normally observed in liquid electrolytes. The exceptionally high interfacial stability of the Li 2 RuO 3 /sulfide electrolyte interface contributes to a high reversible capacity of 257 mA h g –1 of Li 2 RuO 3 at 0.05C rate, and unprecedented cycling stability with 90% capacity retention after 1000 cycles at 1C rate. Iin this work, comprehensive experimental characterizations and first-principles calculations disclose that electronically insulating interfacial reaction products forming at the interface between the Li 2 RuO 3 cathode and Li 6 PS 5 Cl facilitate the formation of a stable and passivating interphase and block the continuous side reactions. Importantly, reversible oxygen redox activity of Li 2 RuO 3 is well-maintained in this configuration of ASSLBs even after 600 cycles, thus the common voltage decay of the Li-rich material is also significantly reduced. These new discoveries demonstrate the critical role of interface design for achieving prolonged cycling stability of lithium-rich cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2021

Porous Two-dimensional Iron-Cyano Nanosheets for High-rate Electrochemical Nitrate Reduction

Ammonia (NH 3 ) is an essential ingredient in agriculture and a promising source of clean energy as a hydrogen carrier. The current major method for ammonia production, however, is the Haber–Bosch process that leads to massive energy consumption and severe environmental issues. Compared with nitrogen (N 2 ) reduction, electrochemical nitrate reduction reaction (NO 3 RR), with a higher NH 3 yield rate and Faradaic efficiency, holds promise for efficient NH 3 production under ambient conditions. To achieve efficient NO 3 RR, electrocatalysts should exhibit high selectivity and Faradaic efficiency with a high NH 3 yield rate. In this work, we developed two-dimensional (2D) iron-based cyano-coordination polymer nanosheets (Fe-cyano NSs) following in situ electrochemical treatment for high-rate NO 3 RR. Owing to the strong adsorption of nitrate on Fe0 active sites generated via topotactic conversion and in situ electroreduction, 2D Fe-cyano electrocatalyst exhibits high catalytic activity with a yield rate of 42.1 mg h –1 mgcat –1 and a Faradaic efficiency of over 90% toward NH 3 production at –0.5 V (vs reversible hydrogen electrode, RHE). Further electrochemical characterizations revealed that superhydrophilic surface and enhanced electrochemical surface area of the 2D porous nanostructures also contributed to the high-rate NO 3 RR activity. Finally, an electrolyzer toward NO 3 RR and oxygen evolution reaction (OER) in a two-electrode configuration is constructed based on 2D Fe-cyano, achieving an energy efficiency of 26.2%. This work provides an alternative methodology toward topotactic conversion of transition metal nanosheets for NO 3 RR and reveals the often-overlooked contribution of hydrophilicity of the catalysts for high-rate electrocatalysis.

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

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory. The shear modulus model for the ambient phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress–strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston–Tonks–Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to ⁠10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid–liquid but never a fully liquid state, never fully lost strength, stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural Changes and Reversibility Upon Deintercalation of Li from LiCoPO 4 Derivatives

In an effort to improve the cycle life and rate capability of olivine LiCoPO 4 , Cr, Fe, and Si were added to produce nominal Li 1.025 Co 0.84 Fe 0.10 Cr 0.05 Si 0.01 (PO 4 ) 1.025 . This cathode material has an energy density comparable to LiCoPO 4 , with markedly improved electrochemical performance. Here, we apply operando X-ray diffraction to gain an understanding of the crystallographic delithiation mechanism of this new substituted electrode material, compared to both LiCo 0.75 Fe 0.25 PO 4 and LiCo 0.75 Fe 0.25 PO 4 . Throughout charging, the extent of solid-solution domains was significantly increased in Li 1.025 Co 0.84 Fe 0.10 Cr 0.05 Si 0.01 (PO 4 ) 1.025 and LiCo 0.75 Fe 0.25 PO 4 compared to LiCoPO 4 . These domains reduce the mechanical strain during electrode function, providing a clear explanation for the high durability with Co substitution. Li 1.025 Co 0.84 Fe 0.10 Cr 0.05 Si 0.01 (PO 4 ) 1.025 operated at notably higher average potential than LiCo 0.75 Fe 0.25 PO 4 , which would increase the energy density of the cell. Ex situ measurements reveal the persistence of structural irreversibilities in the substituted phase after the first cycle, identifying avenues for further improvement in durability. Overall, this finding sheds light on the strategies for judicious cation substitution in LiCoPO 4 electrodes to maximize the cycle life while preserving high energy density, especially compared to LiFePO 4 .

25 ENERGY STORAGE↗
DOE OSTI2024

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a 10 multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory (DFT). The shear modulus model for the ambient β phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the β phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress-strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston-Tonks-Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to 10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability 20 of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid-liquid but never fully liquid state, never fully lost strength, 25 stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Non-topotactic reactions enable high rate capability in Li-rich cathode materials

High-rate cathode materials for Li-ion batteries require fast Li transport kinetics, which typically rely on topotactic Li intercalation/de-intercalation because it minimally disrupts Li transport pathways. In contrast to this conventional view, here we demonstrate that the rate capability in a Li-rich cation-disordered rocksalt cathode can be significantly improved when the topotactic reaction is replaced by a non-topotactic reaction. The fast non-topotactic lithiation reaction is enabled by facile and reversible transition metal octahedral-to-tetrahedral migration, which improves rather than impedes Li transport. Using this concept, we show that high-rate performance can be achieved in Mn- and Ni-based cation-disordered rocksalt materials when some of the transition metal content can reversibly switch between octahedral and tetrahedral sites. Overall, this study provides a new perspective on the design of high-performance cathode materials by demonstrating how the interplay between Li and transition metal migration in materials can be conducive to fast non-topotactic Li intercalation/de-intercalations.

25 ENERGY STORAGE↗
NASA NTRS1986

High temperature monotonic and cyclic deformation in a directionally solidified nickel-base superalloy

Directionally solidified (DS) MAR-M246+Hf was tested in tension and fatigue, at temperatures from 20 C to 1093 C. Tests were performed on (001) oriented specimens at strain rates of 50 % and 0.5 % per minute. In tension, the yield strength was constant up to 704 C, above which the strength dropped off rapidly. A strong dependence of strength on strain rate was seen at the higher temperatures. The deformation mode was observed to change from heterogeneous to homogeneous with increasing temperature. Low Cycle Fatigue tests were done using a fully reversed waveform and total strain control. For a given plastic strain range, lives increased with increasing temperature. For a given temperature strain rate had a strong effect on life. At 704 C, decreasing strain rates decreased life, while at the higher temperatures, decreasing strain rates increased life, for a given plastic strain range. These results could be explained through considerations of the deformation modes and stress levels. At the higher temperatures, marked coarsening caused beneficial stress reductions, but oxidation limited the life. The longitudinal grain boundaries were found to influence slip behavior. The degree of secondary slip adjacent to the boundaries was found to be related to the degree of misorientation between the grains.

Huron, Eric S.↗
DOE OSTI2024

Fully Scalable Randomized Benchmarking Without Motion Reversal

We introduce , a protocol that streamlines traditional RB by using circuits consisting almost entirely of independent identically distributed (IID) layers of gates. BiRB reliably and efficiently extracts the average error rate of a Clifford gate set by sending tensor-product eigenstates of random Pauli operators through random circuits with IID layers. Unlike existing RB methods, BiRB does not use motion reversal circuits—i.e., circuits that implement the identity (or a Pauli) operator—which simplifies both the method and the theory proving its reliability. Furthermore, this simplicity enables scaling BiRB to many more qubits than the most widely used RB methods. Published by the American Physical Society 2024

Hines, Jordan (ORCID:0000000151267256)↗