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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
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↗
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 OSTI2013

CTLA-4Ig immunotherapy of obesity-induced insulin resistance by manipulation of macrophage polarization in adipose tissues

Highlights: •CTLA-4Ig completely alleviates HFD-induced insulin resistance. •CTLA-4Ig reduces epididymal and subcutaneous fat tissue weight and adipocyte size. •CTLA-4Ig alters ATM polarization from inflammatory M1 to anti-inflammatory M2. •CTLA-4Ig may lead to a novel anti-obesity/inflammation/insulin resistance agent. •We identified the mechanism of the novel favorable effects of CTLA-4lg. -- Abstract: It has been established that obesity alters the metabolic and endocrine function of adipose tissue and, together with accumulation of adipose tissue macrophages, contributes to insulin resistance. Although numerous studies have reported that shifting the polarization of macrophages from M1 to M2 can alleviate adipose tissue inflammation, manipulation of macrophage polarization has not been considered as a specific therapy. Here, we determined whether cytotoxic T-lymphocyte-associated antigen-4IgG1 (CTLA-4Ig) can ameliorate insulin resistance by induction of macrophages from proinflammatory M1 to anti-inflammatory M2 polarization in the adipose tissues of high fat diet-induced insulin-resistant mice. CTLA4-Ig treatment prevented insulin resistance by changing gene expression to M2 polarization, which increased the levels of arginase 1. Furthermore, flow cytometric analysis confirmed the alteration of polarization from CD11c (M1)- to CD206 (M2)-positive cells. Concomitantly, CTLA-4Ig treatment resulted in weight reductions of epididymal and subcutaneous adipose tissues, which may be closely related to overexpression of apoptosis inhibitors in macrophages. Moreover, proinflammatory cytokine and chemokine levels decreased significantly. In contrast, CCAAT enhancer binding protein α, peroxisome proliferator-activated receptor γ, and adiponectin expression increased significantly in subcutaneous adipose tissue. This novel mechanism of CTLA-4lg immunotherapy may lead to an ideal anti-obesity/inflammation/insulin resistance agent.

60 APPLIED LIFE SCIENCES↗
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↗
DOE OSTI2021

Photodepositing CdS on the Active Cyano Groups Decorated g‐C 3 N 4 in Z‐Scheme Manner Promotes Visible‐Light‐Driven Hydrogen Evolution

Abstract g‐C 3 N 4 /CdS heterojunctions are potential photocatalysts for hydrogen production but their traditional type‐II configuration generally leads to weak oxidative and reductive activity. How to construct the novel Z‐scheme g‐C 3 N 4 /CdS counterparts to address this issue remains a great challenge in this field. In this work, a new direct Z‐scheme heterojunction of defective g‐C 3 N 4 /CdS is designed by introducing cyano groups (NC‐) as the active bridge sites. Experimental observations in combination with density functional theory (DFT) calculations reveal that the unique electron‐withdrawing feature of cyano groups in the defective g‐C 3 N 4 /CdS heterostructure can endow this photocatalyst with numerous advantageous properties including high light absorption ability, strong redox performance, satisfactory charge separation efficiency, and long lifetime of charge carriers. Consequently, the resultant photocatalytic system exhibits more active performance than CdS and g‐C 3 N 4 under visible light and reaches an excellent hydrogen evolution rate of 1809.07 µmol h −1 g −1 , which is 6.09 times higher than pristine g‐C 3 N 4 . Moreover, the defective g‐C 3 N 4 /CdS photocatalyst maintains good stability after 40 h continuous test. This work provides new insights into design and construction of Z‐scheme heterojunctions for regulating the visible‐light‐induced photocatalytic activity for H 2 evolution.

Wang, Zhipeng↗
DOE OSTI2018

Quantum dynamics of a small symmetry breaking measurement device

Highlights: • Ferromagnetic measurement device exploits symmetry breaking to measure a spin. • Quantum interaction results in loss of phase coherence of test object. • Dynamics lead to sizeable correlation with, and enhancement of, microscopic object. • No reliable registration of pointer readings is observed after decoupling spin. - Abstract: A quantum measuring instrument is constructed that utilises symmetry breaking to enhance a microscopic signal. The entire quantum system consists of a system–apparatus–environment triad that is composed of a small set of spin-1/2 particles. The apparatus is a ferromagnet that measures the z-component of a single spin. A full quantum many-body calculation allows for a careful examination of the loss of phase coherence, the formation and amplification of system–apparatus correlations, the irreversibility of registration, the fault tolerance, and the bias of the device.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Siting landfills and incinerators in areas of historic unpopularity: Surveying the views of the next generation

Highlights: • Opinions and knowledge of young people in Italy about waste were studied. • Historic opposition to construction of waste facilities is difficult to overcome. • Awareness of waste management develops with knowledge of environmental issues. • Many stakeholders’ views are needed when siting a new waste management facility. • Respondents’ opinions were influenced by their level of environmental knowledge. - Abstract: The Campania Region in Southern Italy has suffered many problems with municipal solid waste management since the mid-1990s, leading to significant public disturbances and subsequent media coverage. This paper reports on the current views and knowledge of young people (university students) in this region about waste management operations and facilities, specifically the siting of landfills and incinerators. By means of a structured questionnaire, opinion and knowledge were systematically examined by degree type and course year. The study took place in 2011 at the University of Salerno campus. A sample of 900 students, comprising 100 students for each of the nine considered faculties, and 20 students for every academic course year, was randomly selected. Only about a quarter of respondents were not opposed to the siting of a landfill or an incinerator in their city. This clearly highlights that historic opposition to the construction of waste facilities is difficult to overcome and that distrust for previous poor management or indiscretions is long-lived and transcends generations. Students from technical faculties expressed the most reasonable opinion; opinion and knowledge were statistically related (Chi-square test, p < 0.05) to the attended faculty, and the knowledge grew linearly with progression through the university. This suggests that awareness of waste management practices develops with experience and understanding of environmental issues. There is general acceptance that many stakeholders – technicians, politicians and citizens – all have to be part of the decision process when siting a new waste management facility. The opinions of the young respondents were significantly influenced by their level of environmental knowledge.

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

Connecting Large‐Scale Meteorological Patterns to Extratropical Cyclones in CMIP6 Climate Models Using Self‐Organizing Maps

Abstract Extratropical cyclones (ETCs) are responsible for the majority of cool‐season extreme events in the northeastern United States (NEUS), often leading to high‐impact weather conditions that can have wide‐ranging socioeconomic impacts. Evaluating the ability of climate models to adequately simulate ETC dynamics is essential for improving model performance and increasing confidence in future projections used by stakeholders and policymakers. ETCs are traditionally studied using techniques such as case studies and synoptic typing, however, these approaches can be time‐consuming, require subjective analysis, and do not necessarily identify the coincident large‐scale meteorological patterns (LSMPs). Here, we apply self‐organizing maps (SOMs) as an automated machine‐learning approach to characterize the LSMPs and associated frequency and intensity of discrete ETC events over NEUS. The dominant patterns of geopotential height variability are identified through SOM analysis of five reanalysis products during the last four decades. ETC events are tracked using TempestExtremes and are integrated with SOMs to classify the accumulated cyclone activity (ACA) associated with each pattern. We then evaluate the skill of CMIP6 historical experiments in simulating the LSMPs and ETC events identified in the SOM. Our results identify a robust bias toward more zonal patterns, with models struggling to reproduce the more amplified patterns typically associated with the highest cyclone activity. While model resolution has some impact on simulation credibility, model configuration appears to be more important in LSMP representation. The vast majority of CMIP6 models produce too few ETCs, although model errors are distributed around historical reanalyses when ACA is normalized by storm frequency.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Intrinsic nanostructure induced ultralow thermal conductivity yields enhanced thermoelectric performance in Zintl phase Eu2ZnSb2

Abstract The Zintl thermoelectric phase Eu 2 ZnSb 2 has a remarkable combination of high mobility and low thermal conductivity that leads to good thermoelectric performance. The key feature of this compound is a crystal structure that has a Zn-site with a 50% occupancy. Here we use comparison of experimental thermal conductivity measurements and first principles thermal conductivity calculations to characterize the thermal conductivity reduction. We find that partial ordering, characterized by local order, but Zn-site disorder on longer scales, leads to an intrinsic nanostructuring induced reduction in thermal conductivity, while retaining electron mobility. This provides a direction for identifying Zintl compounds with ultralow lattice thermal conductivity and good electrical conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Confinement of magnetism in atomically thin La0.7Sr0.3CrO3/La0.7Sr0.3MnO3 heterostructures

Abstract At crystalline interfaces where a valence-mismatch exists, electronic, and structural interactions may occur to relieve the polar mismatch, leading to the stabilization of non-bulk-like phases. We show that spontaneous reconstructions at polar La 0.7 Sr 0.3 MnO 3 interfaces are correlated with suppressed ferromagnetism for film thicknesses on the order of a unit cell. We investigate the structural and magnetic properties of valence-matched La 0.7 Sr 0.3 CrO 3 /La 0.7 Sr 0.3 MnO 3 interfaces using a combination of high-resolution electron microscopy, first principles theory, synchrotron X-ray scattering and magnetic spectroscopy and temperature-dependent magnetometry. A combination of an antiferromagnetic coupling between the La 0.7 Sr 0.3 CrO 3 and La 0.7 Sr 0.3 MnO 3 layers and a suppression of interfacial polar distortions are found to result in robust long-range ferromagnetic ordering for ultrathin La 0.7 Sr 0.3 MnO 3 . These results underscore the critical importance of interfacial structural and magnetic interactions in the design of devices based on two-dimensional oxide magnetic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Disorder-induced heating in molecular atmospheric pressure plasmas

Abstract Recent work has shown that ions are strongly coupled in atmospheric pressure plasmas when the ionization fraction is sufficiently large, leading to a temperature increase from disorder-induced heating (DIH) that is not accounted for in standard modelling techniques. Here, we extend this study to molecular plasmas. A main finding is that the energy gained by ions in DIH gets spread over both translational and rotational degrees of freedom on a nanosecond timescale, causing the final ion and neutral gas temperatures to be lower in the molecular case than in the atomic case. A model is developed for the equilibrium temperature that agrees well with molecular dynamics simulations. The model and simulations are also applied to pressures up to ten atmospheres. We conclude that DIH is a significant and predictable phenomena in molecular atmospheric pressure plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Synthesis of NiCuZn-ferrite powders by means of mechanochemical treatment

Graphical abstract: The peak intensity for the product calcined at 500 °C is relatively weak, but it gradually increases with increasing the temperature. This implies that the temperature up to 700 °C leads to well crystallization of the spinel type of Ni{sub 0.45}Cu{sub 0.05}Zn{sub 0.5}Fe{sub 2}O{sub 4} phase. - Highlights: • NiCuZn-ferrite powders were obtained at a low temperature by mechanochemical activation. • The effects of the mechanical and thermal treatments on the mixtures were analyzed. • The mechanochemical method benefited achieving the lower M{sub s} and μ{sub i}. - Abstract: NiCuZn-ferrite powders were synthesized by mechanochemical treatments using NiCO{sub 3}⋅2Ni(OH){sub 2}⋅4H{sub 2}O, CuO, ZnO and Fe{sub 2}O{sub 3} as raw materials. Scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and vibrating sample magnetometer (VSM) were employed to evaluate the morphologies and structures of samples. The results indicated that the mechanochemical treatment produced several structural and chemical effects on reactants of the powder mixtures, and single phase Ni{sub 0.45}Cu{sub 0.05}Zn{sub 0.5}Fe{sub 2}O{sub 4} could be obtained after annealed at 700 °C for 2 h. In comparison with the traditional firing method, the mechanochemical method benefited achieving the lower M{sub s} and μ{sub i}, which indicated that the sample had better magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure development in a high-nickel austenitic stainless steel using EBSD during in situ tensile deformation

Highlights: • The number of low angle boundaries increases significantly at strains ≥ 9.5%. • Grain rotation was observed to lead to grain subdivision and even fragmentation. • Annealing twins deform due to accumulation of dislocations near their boundaries. • No deformation twins were observed and deformation took place by dislocation slip. - Abstract: Plastic deformation of surface grains has been observed by electron backscatter diffraction technique during in situ tensile testing of a high-nickel austenitic stainless steel. The evolution of low- and high-angle boundaries as well as the orientation changes within individual grains has been studied. The number of low-angle boundaries and their respective misorientation increases with increasing strain and some of them also evolve into high-angle boundaries leading to grain fragmentation. The annealing twin boundaries successively lose their integrity with increasing strain. The changes in individual grains are characterized by an increasing spread of orientations and by grains moving towards more stable orientations with <111> or <001> parallel to the tensile direction. No deformation twins were observed and deformation was assumed to be caused by dislocation slip only.

36 MATERIALS SCIENCE↗