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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

High-temperature electrochemical performance of low-cost La–Ni–Fe based hydrogen storage alloys with different preparation methods

Highlights: • Effects of four different preparation processes were studied at 20/60 °C. • All NS + HT, RS and RS + HT processes can optimize the thermodynamic performance. • The HT process can provoke the precipitation of A{sub 2}B{sub 7} and leads to a poor cycling life. • Al exhibits the most remarkable dissolution for all the alloys, especially at 60 °C. - Abstract: In order to optimize the microstructure and high temperature electrochemical performances of low-cost AB{sub 5}-type Ml(NiMnAl){sub 4.2}Co{sub 0.3}Fe{sub 0.5} hydrogen storage electrode alloys, four different preparation methods including normal solidification (NS), normal solidification and 900 °C heat treatment (NS + HT), rapid solidification (RS), rapid solidification and 900 °C heat treatment (RS + HT) were adopted in this work. All alloys exhibit CaCu{sub 5} type hexagonal structure and there is a small amount of A{sub 2}B{sub 7} phase in NS + HT and RS + HT alloys. It is found the using of HT process can decrease the hydrogen equilibrium plateau pressure, the plateau slope and hysteresis at 40, 60 and 80 °C. The NS + HT and RS + HT alloys also possess better activation, high rate discharge performance, larger discharge capacity, but poor cycling performance due to the existence of A{sub 2}B{sub 7} phase which can accelerate dissolution of Ni, Mn and Fe elements in KOH alkaline electrolyte. The RS process can make alloy exhibit the best cycling performance especially at 60 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2016

O 2 Activation by Non-Heme Iron Enzymes

The non-heme Fe enzymes are ubiquitous in nature and perform a wide range of functions involving O 2 activation. These had been difficult to study relative to heme enzymes; however, spectroscopic methods have now been developed that provide significant insight into the correlation of structure with function. This Current Topics article summarizes both the molecular mechanism these enzymes use to control O 2 activation in the presence of cosubstrates and the oxygen intermediates these reactions generate. Three types of O 2 activation are observed. First, non-heme reactivity is shown to be different from heme chemistry where a low-spin Fe III -OOH non-heme intermediate directly reacts with substrate. Also, two subclasses of non-heme Fe enzymes generate high-spin Fe IV =O intermediates that provide both σ and π frontier molecular orbitals that can control selectivity. Lastly, for several subclasses of non-heme Fe enzymes, substrate binding to the Fe II site leads to the one electron reductive activation of O 2 to an Fe III -superoxide capable of H-atom abstraction and electrophilic attack.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Overcoming Carrier Concentration Limits in Polycrystalline CdTe Thin Films with In Situ Doping

Abstract Thin film materials for photovoltaics such as cadmium telluride (CdTe), copper-indium diselenide-based chalcopyrites (CIGS), and lead iodide-based perovskites offer the potential of lower solar module capital costs and improved performance to microcrystalline silicon. However, for decades understanding and controlling hole and electron concentration in these polycrystalline films has been extremely challenging and limiting. Ionic bonding between constituent atoms often leads to tenacious intrinsic compensating defect chemistries that are difficult to control. Device modeling indicates that increasing CdTe hole density while retaining carrier lifetimes of several nanoseconds can increase solar cell efficiency to 25%. This paper describes in-situ Sb, As, and P doping and post-growth annealing that increases hole density from historic 10 14 limits to 10 16 –10 17 cm −3 levels without compromising lifetime in thin polycrystalline CdTe films, which opens paths to advance solar performance and achieve costs below conventional electricity sources.

14 SOLAR ENERGY↗
DOE OSTI2024

BBN catalysis by doubly charged particles

Abstract We consider primordial nucleosynthesis in the presence of hypotheticalquasi-stable doubly charged particles. Existence ofX –– withmacroscopic lifetimes will lead to the formation of its bound states with 4 He and otherlight elements, significantly facilitating the subsequentformation of lithium nuclei. From observational constraints on maximumallowable amount of lithium, that we update in this work, we derivestrong constraints on the abundance and lifetime ofX –– . In alikely cosmological freeze-out scenario with temperatures initiallyexceeding the mass ofX –– , the BBN constrains the lifetime of theseparticles to be less than about 100 seconds. For parametrically longlifetimes, lithium abundance data constrainX –– abundance to be lessthan 10 -9 relative to protons, regardless of whether these particlesdecay or remain stable. Stable particles could saturate the dark matterdensity only if their mass is comparable to or in excess of10 10 GeV, and most ofX –– will be found in bound states withberyllium nuclei, so that chemically they would appear as abnormallyheavy helium isotopes.

Astronomy & Astrophysics↗
DOE OSTI2020

Decarbonizing US passenger vehicle transport under electrification and automation uncertainty has a travel budget

Abstract The transportation sector is at the beginning of a transition represented by electrification, shared mobility, and automation, which could lead to either increases or decreases in total travel and energy use. Understanding the factors enabling deep decarbonization of the passenger vehicle sector is essential for planning the required infrastructure investments and technology adoption policies. We examine the requirements for meeting carbon reduction targets of 80% and higher for passenger vehicle transport in the United States (US) by midcentury under uncertainty. We model the changes needed in vehicle electrification, electricity carbon intensity, and travel demand. Since growth in fleet penetration of electric vehicles (EVs) is constrained by fleet stock turnover, we estimate the EV penetration rates needed to meet climate targets. We find for a base case level of passenger vehicle travel, midcentury deep decarbonization of US passenger transport is conditional on reducing the electricity generation carbon intensity to close to zero along with electrification of about 67% or 84% of vehicle travel to meet decarbonization targets of 80% or 90%, respectively. Higher electricity generation carbon intensity and degraded EV fuel economy due to automation would require higher levels of fleet electrification and/or further constrain the total vehicle travel allowable. Transportation deep decarbonization not only depends on electricity decarbonization, but also has a total travel budget, representing a maximum total vehicle travel threshold that still enables meeting a midcentury climate target. This makes encouraging ride sharing, reducing total vehicle travel, and increasing fuel economy in both human-driven and future automated vehicles increasingly important to deep decarbonization.

Alarfaj, Abdullah F. (ORCID:0000000157360662)↗
DOE OSTI2021

Successive common envelope events from multiple planets

ABSTRACT Many stars harbour multiplanet systems. As these stars expand late in their evolutions, the innermost planet may be engulfed, leading to a common envelope (CE) event. Even if this is insufficient to eject the envelope, it may expand the star further, causing additional CE events, with the last one unbinding what remains of the envelope. This multiplanet CE scenario may have broad implications for stellar and planetary evolution across a range of systems. We develop a simplified version and show that it may be able to explain the recently observed planet WD 1856 b.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Winter hardiness of Miscanthus (III): Genome‐wide association and genomic prediction for overwintering ability in Miscanthus sinensis

Abstract Overwintering ability is an important selection criterion for Miscanthus breeding in temperate regions. Insufficient overwintering ability of the currently leading Miscanthus biomass cultivar, M . × giganteus (M×g) ‘1993–1780', in regions where average annual minimum temperatures are −26.1°C (USDA hardiness zone 5) or lower poses a pressing need to develop new cultivars with superior cold tolerance. To facilitate breeding of Miscanthus , this study characterized phenotypic and genetic variation of overwintering ability in an M. sinensis germplasm panel consisting of 564 accessions, evaluated in field trials at three locations in North America and two in Asia. Genome‐wide association (GWA) and genomic prediction analyses were performed. The Korea/N China M. sinensis genetic group is a valuable gene pool for cold tolerance. The Yangtze‐Qinling, Southern Japan, and Northern Japan genetic groups were also potential sources of cold tolerance. A total of 73 marker–trait associations were detected for overwintering ability. Estimated breeding value for overwintering ability based on these 73 markers could explain 55% of the variation for first winter overwintering ability among M. sinensis . Average genomic prediction ability for overwintering ability across 50 fivefold cross‐validations was high (~0.73) after accounting for population structure. Common genomic regions for overwintering ability were detected by GWA analyses and a previous parallel QTL mapping study using three interconnected biparental F 1 populations. One QTL on Miscanthus LG 8 encompassed five GWA hits and a known cold‐responsive gene, COR47 . The other overwintering ability QTL on Miscanthus LG 11 contained two GWA hits and three known cold stress‐related genes, carboxylesterase 13 ( CEX13 ), WRKY2 transcription factor, and cold shock domain ( CSDP1 ). Miscanthus accessions collected from high latitude locations with cold winters had higher rates of overwintering, and more alleles for overwintering, than accessions collected from southern locations with mild winters.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Antiferromagnetic-configuration–dependent high harmonic generation in bilayer CrI 3

Abstract Bilayer CrI 3 accommodates both interlayer antiferromagnetic (AFM) and intralayer ferromagnetic couplings. Different alignments of intralayer ferromagnetic orders would lead to almost degenerate AFM configurations, which are insensitive to conventional techniques such as VSM and magneto-optical Kerr effect. Here, we demonstrate high harmonic generation (HHG) as a feasible means to detect the AFM configurations in bilayer CrI 3 with AB and stacking orders. When the intralayer magnetic moments are aligned along the z -axis, the AB stacked bilayer CrI 3 cancels the 3 n -order harmonics under the circularly polarized laser field. However, the stacked bilayer contains both even and odd harmonic. The 3 n -order harmonics are recovered as the intralayer magnetic moments of AB bilayer are in-plane aligned. For an in-plane linearly polarized laser field, the stacking bilayer with the magnetic moments along the x -axis contains both the even and odd harmonics in each component. However, when the magnetic moments are along the y -axis, the perpendicular component of HHG cancels out for the linearly polarized laser field along the x -axis. More interestingly, when the linearly polarized laser field is along the y -axis, the parallel component includes only the odd harmonics while the perpendicular component contains only the even harmonics. Our study provides HHG as a potential tool to detect AFM configurations.

Physics↗
DOE OSTI2017

DYNAMIC DEUTERIUM ENRICHMENT IN COMETARY WATER VIA ELEY–RIDEAL REACTIONS

The deuterium-to-hydrogen ratio (D/H) in water found in the coma of Jupiter family comet (JFC) 67P/Churyumov–Gerasimenko was reported to be (5.3 ± 0.7) × 10{sup −4}, the highest among comets and three times the value for other JFCs with an ocean-like ratio. This discrepancy suggests the diverse origins of JFCs and clouds the issue of the origin of Earth’s oceanic water. Here we demonstrate that Eley–Rideal reactions between accelerated water ions and deuterated cometary surface analogs can lead to instantaneous deuterium enrichment in water scattered from the surface. The reaction proceeds with H{sub 2}O{sup +} abstracting adsorbed D atoms, forming an excited H{sub 2}DO* state, which dissociates subsequently to produce energetic HDO. Hydronium ions are also produced readily by the abstraction of H atoms, consistent with H{sub 3}O{sup +} detection and abundance in various comets. Experiments with water isotopologs and kinematic analysis on deuterated platinum surfaces confirmed the dynamic abstraction mechanism. The instantaneous fractionation process is independent of the surface temperature and may operate on the surface of cometary nuclei or dust grains, composed of deuterium-rich silicates and carbonaceous chondrites. The requisite energetic water ions have been detected in the coma of 67P in two populations. This dynamic fractionation process may temporarily increase the water D/H ratio, especially as the comet gets closer to the Sun. The magnitude of the effect depends on the water ion energy-flux and the deuterium content of the exposed cometary surfaces.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1980

A methodology for long range prediction of air transportation

The paper describes the methodology for long-time projection of aircraft fuel requirements. A new concept of social and economic factors for future aviation industry which provides an estimate of predicted fuel usage is presented; it includes air traffic forecasts and lead times for producing new engines and aircraft types. An air transportation model is then developed in terms of an abstracted set of variables which represent the entire aircraft industry on a macroscale. This model was evaluated by testing the required output variables from a model based on historical data over the past decades.

Ayati, M. B.↗
DOE OSTI2024

Elucidating the complex interplay between thermodynamics, kinetics, and electrochemistry in battery electrodes through phase-field modeling

Abstract This article highlights applications of phase-field modeling to electrochemical systems, with a focus on battery electrodes. We first provide an overview on the physical processes involved in electrochemical systems and applications of the phase-field approach to understand the thermodynamic and kinetic mechanisms underlying these processes. We employ two examples to highlight how realistic thermodynamics and kinetics can naturally be incorporated into phase-field modeling of electrochemical processes. One is a composite battery cathode with an intercalation compound (Li x FePO 4 ) as the electrochemically active material, and the other is a displacement reaction compound (Li–Cu–TiS 2 ). With the input parameters mostly from atomistic calculations and experimental measurements, phase-field simulations allowed us to untangle the interactions among transport, reaction, electricity, chemistry, and thermodynamics that lead to highly complex evolution of the materials within battery electrodes. The implications of these observations for battery performance and degradation are discussed. Graphical abstract

Andrews, W. Beck (ORCID:0000000287824621)↗
DOE OSTI2015

Modelling informally collected quantities of bulky waste and reusable items in Austria

Highlights: • Informal collectors from Hungary collect bulky waste and reusable items in Austria. • Two methodologies were applied to estimate the informally collected quantities. • Both approaches lead to an estimation of roughly 100,000 t p.a. informally collected. • The formal Austrian system collects 72 kg/cap/yr of bulky waste, WEE & scrap metal. • Informal collection amounts to approx. 12 kg/cap/yr. - Abstract: Disparities in earnings between Western and Eastern European countries are the reason for a well-established informal sector actively involved in collection and transboundary shipment activities from Austria to Hungary. The preferred objects are reusable items and wastes within the categories bulky waste, WEEE and metals, intended to be sold on flea markets. Despite leading to a loss of recyclable resources for Austrian waste management, these informal activities may contribute to the extension of the lifetime of certain goods when they are reused in Hungary; nevertheless they are discussed rather controversially. The aim of this paper is to provide objective data on the quantities informally collected and transhipped. The unique activities of informal collectors required the development and implementation of a new set of methodologies. The concept of triangulation was used to verify results obtained by field visits, interviews and a traffic counting campaign. Both approaches lead to an estimation of approx. 100,000 t per year of reusable items informally collected in Austria. This means that in addition to the approx. 72 kg/cap/yr formally collected bulky waste, bulky waste wood, household scrap (excluding packaging) and WEEE, up to a further 12 kg/cap/yr might, in the case that informal collection is abandoned, end up as waste or in the second-hand sector.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Sr(Ag 1− x Li x ) 2 Se 2 and [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] Tunable Direct Band Gap Semiconductors

Abstract Synthesizing solids in molten fluxes enables the rapid diffusion of soluble species at temperatures lower than in solid‐state reactions, leading to crystal formation of kinetically stable compounds. In this study, we demonstrate the effectiveness of mixed hydroxide and halide fluxes in synthesizing complex Sr/Ag/Se in mixed LiOH/LiCl. We have accessed a series of two‐dimensional Sr(Ag 1− x Li x ) 2 Se 2 layered phases. With increased LiOH/LiCl ratio or reaction temperature, Li partially substituted Ag to form solid solutions of Sr(Ag 1− x Li x ) 2 Se 2 with x up to 0.45. In addition, a new type of intergrowth compound [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] was synthesized upon further reaction of Sr(Ag 1− x Li x ) 2 Se 2 with SrSe. Both Sr(Ag 1− x Li x ) 2 Se 2 and [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] exhibit a direct band gap, which increases with increasing Li substitution ( x ). Therefore, the band gap of Sr(Ag 1− x Li x ) 2 Se 2 can be precisely tuned via fine‐tuning x that is controlled by only the flux ratio and temperature.

Zhou, Xiuquan↗