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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Stardust Sample Collection at Wild 2 and Its Preliminary Examination

The primary objective of STARDUST is to collect coma samples from 81P/Wild 2. This was made on January 2, 2004. Before the encounter three significant model predictions existed for the number and size of samples to be captured. Three investigations during the Wild 2 encounter (Dust Flux Monitor, Comet and Interstellar Dust Analyzer and Dynamic Science) made in situ measurements of the dust. Spectacular images were captured of the Wild 2 nucleus and dust jets. This abstract compares the model predictions with the in situ measurements and Wild 2 images and assesses the likely samples to be returned for analysis on January 15, 2006. To give some lead time for sample analysts to prepare for the analyses of the returned samples, the organization of the Preliminary Examination is presented.

Tsou, P.↗
DOE OSTI2018

Ultraviolet light induced degradation of luminescence in CsPbBr3 perovskite nanocrystals

Highlights: • The degradation of PL in CsPbBr{sub 3} nanocrystals under UV illumination was studied. • The degradation was attributed to the photo-oxidation of lead atoms on NC surface. • The PbCO{sub 3} and PbO phases were observed after long illumination time. • The change in PL intensity, peak energy, and linewidth as well as lifetimes under illumination was discussed. - Abstract: Perovskite nanocrystals (NCs) have been applied in light emitting diodes, but their stability is always the decisive factor to limit the practical application of devices. In this work, the influence of ultraviolet light illumination on the structural and luminescent properties of CsPbBr{sub 3} NC films with emissions of 495 and 520 nm was studied. It was demonstrated that the CsPbBr{sub 3} NC films exhibited significant degradation of photoluminescence (PL) under the illumination in air. The PbCO{sub 3} and PbO phases in CsPbBr{sub 3} NC films were observed after long illumination time with X-ray photoemission spectroscopy. The temperature-dependent PL spectra revealed that large amount of nonradiative traps were formed with increasing illumination time. The PL intensities, band energies, and bandwidths as well as PL lifetimes of the illuminated CsPbBr{sub 3} NC films were analyzed. The experimental results indicated that the PL degradation was attributed to the photo-oxidation of NCs under the illumination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

PV degradation curves: non‐linearities and failure modes

Abstract Photovoltaic (PV) reliability and durability have seen increased interest in recent years. Historically, and as a preliminarily reasonable approximation, linear degradation rates have been used to quantify long‐term module and system performance. The underlying assumption of linearity can be violated at the beginning of the life, as has been well documented, especially for thin‐film technology. Additionally, non‐linearities in the wear‐out phase can have significant economic impact and appear to be linked to different failure modes. In addition, associating specific degradation and failure modes with specific time series behavior will aid in duplicating these degradation modes in accelerated tests and, eventually, in service life prediction. In this paper, we discuss different degradation modes and how some of these may cause approximately linear degradation within the measurement uncertainty (e.g., modules that were mainly affected by encapsulant discoloration) while other degradation modes lead to distinctly non‐linear degradation (e.g., hot spots caused by cracked cells or solder bond failures and corrosion). The various behaviors are summarized with the goal of aiding in predictions of what may be seen in other systems. Published 2016. This article is a U.S. Government work and is in the public domain in the USA.

Jordan, Dirk C.↗
DOE OSTI2023

Models of dislocation glide and strengthening mechanisms in bcc complex concentrated alloys

Abstract The mechanical response of complex concentrated alloys (CCAs) deviates from that of their pure and dilute counterparts due to the introduction of a combinatorially sized chemical concentration dimension. Compositional fluctuations constantly alter the energy landscape over which dislocations move, leading to line roughness and the appearance of defects such as kinks and jogs under stress and temperature conditions where they would ordinarily not exist in pure metals and dilute alloys. The presence of such chemical defects gives rise to atomic-level mechanisms that fundamentally change how CCAs deform plastically at meso- and macroscales. In this article, we provide a review of recent advances in modeling dislocation glide processes in CCAs, including atomistic simulations of dislocation glide using molecular dynamics, kinetic Monte Carlo simulations of edge and screw dislocation motion in refractory CCAs, and phase-field models of dislocation evolution over complex energy landscapes. We also discuss pathways to develop comprehensive simulation methodologies that connect an atomic-level description of the compositional complexity of CCAs with their mesoscopic dislocation-mediated plastic response with an eye toward improved design of CCA with superior mechanical response. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nonequilibrium Lattice Dynamics in Photoexcited 2D Perovskites

Abstract Interplay between structural and photophysical properties of metal halide perovskites is critical to their utility in optoelectronics, but there is limited understanding of lattice response upon photoexcitation. Here, 2D perovskites butylammonium lead iodide, (BA) 2 PbI 4 , and phenethylammonium lead iodide, (PEA) 2 PbI 4 , are investigated using ultrafast transient X‐ray diffraction as a function of optical excitation fluence to discern structural dynamics. Both powder X‐ray diffraction and time‐resolved photoluminescence linewidths narrow over 1 ns following optical excitation for the fluence range studied, concurrent with slight redshifting of the optical bandgaps. These observations are attributed to transient relaxation and ordering of distorted lead iodide octahedra stimulated mainly by electron–hole pair creation. The c axis expands up to 0.37% over hundreds of picoseconds; reflections sampling the a and b axes undergo one tenth of this expansion with the same timescale. Post‐photoexcitation appearance of the (110) reflection in (BA) 2 PbI 4 would suggest a transient phase transition, however, through new single‐crystal XRD, reflections are found that violate glide plane conditions in the reported Pbca structure. The static structure space group is reassigned as P 2 1 2 1 2 1 . With this, a nonequilibrium phase transition is ruled out. These findings offer increased understanding of remarkable lattice response in 2D perovskites upon excitation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Advanced Low‐Flammable Electrolytes for Stable Operation of High‐Voltage Lithium‐Ion Batteries

Abstract Despite being an effective flame retardant, trimethyl phosphate (TMP a ) is generally considered as an unqualified solvent for fabricating electrolytes used in graphite (Gr)‐based lithium‐ion batteries as it readily leads to Gr exfoliation and cell failure. In this work, by adopting the unique solvation structure of localized high‐concentration electrolyte (LHCE) to TMP a and tuning the composition of the solvation sheaths via electrolyte additives, excellent electrochemical performance can be achieved with TMP a ‐based electrolytes in Gr∥LiNi 0.8 Mn 0.1 Co 0.1 O 2 cells. After 500 charge/discharge cycles within the voltage range of 2.5–4.4 V, the batteries containing the TMP a ‐based LHCE with a proper additive can achieve a capacity retention of 85.4 %, being significantly higher than cells using a LiPF 6 ‐organocarbonates baseline electrolyte (75.2 %). Meanwhile, due to the flame retarding effect of TMP a , TMP a ‐based LHCEs exhibit significantly reduced flammability compared with the conventional LiPF 6 ‐organocarbonates electrolyte.

Jia, Hao↗
DOE OSTI2016

A Perylene‐Based Microporous Coordination Polymer Interacts Selectively with Electron‐Poor Aromatics

Abstract The design, synthesis, and properties of the new microporous coordination polymer UMCM‐310 are described. The unique electronic character of the perylene‐based linker enables selective interaction with electron‐poor aromatics leading to efficient separation of nitroaromatics. UMCM‐310 possesses high surface area and large pore size and thus permits the separation of large organic molecules based on adsorption rather than size exclusion.

Tran, Ly D.↗
DOE OSTI2019

Rapid loss of an ecosystem engineer: Sphagnum decline in an experimentally warmed bog

Abstract Sphagnum mosses are keystone components of peatland ecosystems. They facilitate the accumulation of carbon in peat deposits, but climate change is predicted to expose peatland ecosystem to sustained and unprecedented warming leading to a significant release of carbon to the atmosphere. Sphagnum responses to climate change, and their interaction with other components of the ecosystem, will determine the future trajectory of carbon fluxes in peatlands. We measured the growth and productivity of Sphagnum in an ombrotrophic bog in northern Minnesota, where ten 12.8‐m‐diameter plots were exposed to a range of whole‐ecosystem (air and soil) warming treatments (+0 to +9°C) in ambient or elevated (+500 ppm) CO 2 . The experiment is unique in its spatial and temporal scale, a focus on response surface analysis encompassing the range of elevated temperature predicted to occur this century, and consideration of an effect of co‐occurring CO 2 altering the temperature response surface. In the second year of warming, dry matter increment of Sphagnum increased with modest warming to a maximum at 5°C above ambient and decreased with additional warming. Sphagnum cover declined from close to 100% of the ground area to <50% in the warmest enclosures. After three years of warming, annual Sphagnum productivity declined linearly with increasing temperature (13–29 g C/m 2 per °C warming) due to widespread desiccation and loss of Sphagnum . Productivity was less in elevated CO 2 enclosures, which we attribute to increased shading by shrubs. Sphagnum desiccation and growth responses were associated with the effects of warming on hydrology. The rapid decline of the Sphagnum community with sustained warming, which appears to be irreversible, can be expected to have many follow‐on consequences to the structure and function of this and similar ecosystems, with significant feedbacks to the global carbon cycle and climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Concentrations and Health Implications of As, Hg, and Cd and Micronutrients in Rice and Emissions of CH 4 From Variably Flooded Paddies

Abstract The flooded soil conditions under which rice is typically grown are beneficial for boosting yield and decreasing herbicide inputs but may pose a food safety and environmental health risk. Flooded soils lead to reducing conditions and anaerobic metabolisms of soil microorganisms, which mobilizes arsenic from soil into soil solution, where it can be absorbed by rice roots and transported to grain. These conditions also promote the production and emission of methane (CH 4 )—a potent greenhouse gas. To evaluate how water management affects metal(loid) grain concentrations and CH 4 emissions, we conducted a 2‐year field study in which rice paddy water was managed under a range of soil redox conditions that spanned from flooded to non‐flooded. We observed that growing rice under less flooded conditions decreased CH 4 emissions and concentrations of grain total As, grain inorganic As, grain total Hg, and grain inorganic Hg relative to flooded conditions, with more reductions observed as conditions were drier; grain organic As and Hg (MeHg) species also decreased with drier conditions particularly in Year 1. However, the driest conditions tested led to a 50%–97% increase in grain Cd concentrations that exceeded the CODEX limit and grain yield reductions as high as 25% and 40% in Year 1 and 2, respectively. While concentrations of toxic metal(loid)s could be manipulated by water management, micronutrient concentrations were similar or decreased with drier conditions, potentially increasing grain Cd bioaccessibility to humans. Because practices for rice water management are gaining momentum, more research should monitor grain Cd levels along with micronutrients.

Environmental Sciences & Ecology↗
DOE OSTI2020

A machine learning Automated Recommendation Tool for synthetic biology

Abstract Synthetic biology allows us to bioengineer cells to synthesize novel valuable molecules such as renewable biofuels or anticancer drugs. However, traditional synthetic biology approaches involve ad-hoc engineering practices, which lead to long development times. Here, we present the Automated Recommendation Tool (ART), a tool that leverages machine learning and probabilistic modeling techniques to guide synthetic biology in a systematic fashion, without the need for a full mechanistic understanding of the biological system. Using sampling-based optimization, ART provides a set of recommended strains to be built in the next engineering cycle, alongside probabilistic predictions of their production levels. We demonstrate the capabilities of ART on simulated data sets, as well as experimental data from real metabolic engineering projects producing renewable biofuels, hoppy flavored beer without hops, fatty acids, and tryptophan. Finally, we discuss the limitations of this approach, and the practical consequences of the underlying assumptions failing.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Thickness-independent scalable high-performance Li-S batteries with high areal sulfur loading via electron-enriched carbon framework

Abstract Increasing the energy density of lithium-sulfur batteries necessitates the maximization of their areal capacity, calling for thick electrodes with high sulfur loading and content. However, traditional thick electrodes often lead to sluggish ion transfer kinetics as well as decreased electronic conductivity and mechanical stability, leading to their thickness-dependent electrochemical performance. Here, free-standing and low-tortuosity N, O co-doped wood-like carbon frameworks decorated with carbon nanotubes forest (WLC-CNTs) are synthesized and used as host for enabling scalable high-performance Li-sulfur batteries. EIS-symmetric cell examinations demonstrate that the ionic resistance and charge-transfer resistance per unit electro-active surface area of S@WLC-CNTs do not change with the variation of thickness, allowing the thickness-independent electrochemical performance of Li-S batteries. With a thickness of up to 1200 µm and sulfur loading of 52.4 mg cm −2 , the electrode displays a capacity of 692 mAh g −1 after 100 cycles at 0.1 C with a low E/S ratio of 6. Moreover, the WLC-CNTs framework can also be used as a host for lithium to suppress dendrite growth. With these specific lithiophilic and sulfiphilic features, Li-S full cells were assembled and exhibited long cycling stability.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evidence that Criegee intermediates drive autoxidation in unsaturated lipids

Significance Autoxidation leads to the slow persistent destruction of organic molecules causing oxidative stress and associated disease. The prevailing autoxidation mechanism of unsaturated lipids involves chain reactions initiated and propagated by H-atom abstraction, mediated by peroxy radicals and other reactive oxygen species. Here we report experimental evidence for an autoxidation mechanism initiated by OH, which is unanticipated and proceeds by OH addition followed by pathways involving Criegee intermediates (CIs). Although CIs are routinely encountered in atmospheric and synthetic organic chemistry, their role in autoxidation is unexpected. Our results suggest that in all likelihood these exotic species play a much more prominent and general role in the chemistry of cells, food, petrochemicals, and the environment beyond what is currently believed.

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

Synergistic effects of W–Ta alloys exposed to various ELM-like fusion events

Abstract Recently tungsten alloys have shown capabilities in suppressing morphological changes when exposed to harsh fusion conditions. Morphological changes due to He + and D + ions at high temperatures (1000–2000 K) can lead to easier erosion and sputtering of tungten (W) particles towards quenching the fusion plasma. This study investigated W–3Ta alloy as potential plasma facing materials (PFMs) exposed to different edge-localized mode (ELM)-like energies and ion loadings. Performance of W–3Ta has been tested as a function of ELM-like energies (0.6–1.5 GW m −2 ) and varying He + and D + ion concentrations (100% He + , 50% He + :50% D + ,10% He + :90% D + (similar ELM-like reactor condition), and 100% D + ions). Early-stage fuzz formation and surface pores were observed during 100% He + ion irradiation and mixed ion loadings but not observed during 100% D + ion loadings. Pores decreased in quantity and increased in size with increasing transient heat loading. Grain boundaries acted as trapping sites of helium and deuterium atoms during dual beam ion irradiations, as observed through increased pore size along the grain boundary. Qualitative erosion estimates were measured using witness plates. Increased erosion was observed with increasing D + ion concentration, which is attributed to D supersaturation in the near surface region affecting thermal and mechanical properties. More erosion was observed for W–3Ta samples compared to pure W, evident through large (>10 µ m) cracks on the surface, and an increase in W metal x-ray photoelectron spectroscopy peaks under similar loading conditions. The slight enhancement in erosion is attributed to the slightly decreased thermal properties, ∼10% thermal diffusivity drop, of W–3Ta at high temperatures. The damage threshold was impacted by ion loading, where distinct cracking was observed for 100% He + at a lower heat loading. This matrix study using reactor-like loading supports the need for extensive studies on future W alloy PFMs before selecting one as an alternative.

Physics↗
DOE OSTI2020

Corn stover harvest reduces soil CO 2 fluxes but increases overall C losses

Abstract Harvesting corn ( Zea mays L.) stover for use as bioenergy feedstock may provide short‐term economic benefits and perhaps improve grain yield in continuous corn systems, but excessive stover removal may lead to long‐term depletion of soil C stocks. To better quantify the impacts of stover harvest on the soil C balance, we investigated CO 2 fluxes under three harvest treatments (none, moderate, and high) in three continuous corn systems: (a) no tillage and no biochar applications, (b) chisel plowing with biochar amendments, and (c) chisel plowing without biochar amendments were quantified. We sampled static chambers 14, 13, and 15 times in 2010, 2011, and 2012, respectively, and the measurements were used to calibrate the Agricultural Production Systems sIMulator model. Although CO 2 ‐C emissions did not differ among the three systems, both moderate (approximately 30%) and high (approximately 60%) stover removal rates reduced simulated CO 2 ‐C emissions by nearly 10% and more than 22%, respectively. Despite these reductions in CO 2 flux, the sum of CO 2 ‐C and stover C exceeded CO 2 ‐C losses in those plots without stover removal. This finding suggested soil C depletion was occurring for the soil and crop management practices used, even though depletion was not evident after 3 years. Application of biochar increased soil C levels, suggesting it may be able to offset some C losses. We conclude that for sustainable, highly productive agroecosystems that include stover harvest, all agronomic practices must be optimized to minimize C losses and maintain soil quality.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Criteria for projected discovery and exclusion sensitivities of counting experiments

Abstract The projected discovery and exclusion capabilities of particle physics and astrophysics/cosmology experiments are often quantified using the median expected p-value or its corresponding significance. We argue that this criterion leads to flawed results, which for example can counterintuitively project lessened sensitivities if the experiment takes more data or reduces its background. We discuss the merits of several alternatives to the median expected significance, both when the background is known and when it is subject to some uncertainty. We advocate for standard use of the “exact Asimov significance” $$Z^\mathrm{A}$$ Z A detailed in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Mechanism of γ-irradiation induced phase transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics

The structural, infrared absorption and magnetic property transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} samples irradiated with different doses (0, 15, 25 and 50 kGy) of γ-irradiation were investigated in this work and a mechanism of phase transformation/decomposition is provided based on the metastable nature of the Mn-atoms in the spinel lattice. The nano-powder sample was prepared by solution combustion route and the pellets of the sample were exposed to γ-radiation. Up to a dose of 25 kGy of γ-radiation, the sample retained the single phase cubic spinel (Fd-3m) structure, but the disorder in the sample increased. On irradiating the sample with 50 kGy γ-radiation, the spinel phase decomposed into new stable phases such as α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases along with amorphous MnO phase, leading to a change in the surface morphology of the sample. Along with the structural transformations the magnetic properties deteriorated due to breakage of the ferrimagnetic order with higher doses of γ-irradiation. Our results are important for the understanding of the stability, durability and performance of the Mn-Zn ferrite based devices used in space applications. - Graphical abstract: The nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramic sample transforms to crystalline α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases (and amorphous MnO phase) at a γ-irradiation dose of 50 kGy, as MnO goes out of the spinel lattice. The high energy γ-irradiation causes structural damage to the nanomaterials leading to change in morphology of the sample as seen in the SEM images. - Highlights: • Mn atoms are more unstable in the Mn-Zn ferrite spinel lattice than Zn-atoms. • Displacement of Mn atoms by γ-radiation from the lattice renders phase transformation. • In Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}, Mn-ferrite cell transforms to crystalline α-Fe{sub 2}O{sub 3} and amorphous MnO. • The stable ZnFe{sub 2}O{sub 4} phase retains its structure even after 50 KGy γ-irradiation. • The γ-irradiation degrades the magnetic properties of Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗