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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Capture of Iodine from Nuclear-Fuel-Reprocessing Off-Gas: Influence of Aging on a Reduced Silver Mordenite Adsorbent after Exposure to NO/NO 2

Iodine radioisotopes released during nuclear fuel reprocessing must be removed from the off-gas stream before discharge. One promising material for iodine capture is reduced silver mordenite (Ag 0 Z). Nevertheless, the adsorbent’s capacity will degrade, or age, over time when the material is exposed to other off-gas constituents. Though the overall impact of aging is known, the underlying physical and chemical processes are not. To examine these processes, Ag 0 Z samples were prepared and aged in 2% NO 2 in dry air and in 1% NO in N 2 gas streams at 150 °C for up to six months. Aged samples were then characterized using scanning electron microscopy, X-ray diffraction, Raman spectroscopy, and X-ray absorption spectroscopy. These techniques show that aging involves two overarching processes: (i) oxidation of the silver nanoparticles present in Ag 0 Z and (ii) migration of oxidized silver into the mordenite’s inner network. Silver on the nanoparticle’s surface is oxidized through adsorption of O 2 , NO, and NO 2 . Additionally, Raman spectroscopy and X-ray absorption spectroscopy indicate that nitrates are the primary products of this adsorption. Most of these nitrates migrate into the interior of the mordenite and exchange at framework binding sites, returning silver to its unreduced state (AgZ). The remaining nitrates exist at a persistent concentration without aggregating into bulk-phase AgNO 3 . X-ray absorption spectroscopy results further indicate that iodine adsorption occurs on not just Ag 0 Z but also on AgZ and a portion of the nitrates in the system. AgZ adsorbs a sizable quantity of iodine early in the aging process, but its capacity drops rapidly over time. For well-aged samples, nitrates are responsible for up to 95% of mordenite’s iodine capacity. Overall, these results have enhanced our understanding of the aging process in silver mordenite and are expected to guide the development of superior adsorbents for the capture of radioactive iodine from reprocessing off-gas.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Atomistic Probing of Defect-Engineered 2H-MoTe 2 Monolayers

Point defects dictate various physical, chemical, and optoelectronic properties of two-dimensional (2D) materials, and therefore, a rudimentary understanding of the formation and spatial distribution of point defects is a key to advancement in 2D material-based nanotechnology. In this work, we performed the demonstration to directly probe the point defects in 2H-MoTe 2 monolayers that are tactically exposed to (i) 200 °C-vacuum-annealing and (ii) 532 nm-laser-illumination; and accordingly, we utilize a deep learning algorithm to classify and quantify the generated point defects. We discovered that tellurium-related defects are mainly generated in both 2H-MoTe 2 samples; but interestingly, 200 °C-vacuum-annealing and 532 nm-laser-illumination modulate a strong n-type and strong p-type 2H-MoTe 2 , respectively. While 200 °C-vacuum-annealing generates tellurium vacancies or tellurium adatoms, 532 nm-laser-illumination prompts oxygen atoms to be adsorbed/chemisorbed at tellurium vacancies, giving rise to the p-type characteristic. This work significantly advances the current understanding of point defect engineering in 2H-MoTe 2 monolayers and other 2D materials, which is critical for developing nanoscale devices with desired functionality.

2H-MoTe 2↗
DOE OSTI2023

A High-Quality Genome-Scale Model for Rhodococcus opacus Metabolism

Rhodococcus opacus is a bacterium that has a high tolerance to aromatic compounds and can produce significant amounts of triacylglycerol (TAG). Here, we present iGR1773, the first genome-scale model (GSM) of R. opacus PD630 metabolism based on its genomic sequence and associated data. The model includes 1773 genes, 3025 reactions, and 1956 metabolites, was developed in a reproducible manner using CarveMe, and was evaluated through Metabolic Model tests (MEMOTE). We combine the model with two Constraint-Based Reconstruction and Analysis (COBRA) methods that use transcriptomics data to predict growth rates and fluxes: E-Flux2 and SPOT (Simplified Pearson Correlation with Transcriptomic data). Growth rates are best predicted by E-Flux2. Flux profiles are more accurately predicted by E-Flux2 than flux balance analysis (FBA) and parsimonious FBA (pFBA), when compared to 44 central carbon fluxes measured by 13C-Metabolic Flux Analysis (13C-MFA). Under glucose-fed conditions, E-Flux2 presents an R2 value of 0.54, while predictions based on pFBA had an inferior R2 of 0.28. We attribute this improved performance to the extra activity information provided by the transcriptomics data. For phenol-fed metabolism, in which the substrate first enters the TCA cycle, E-Flux2’s flux predictions display a high R2 of 0.96 while pFBA showed an R2 of 0.93. We also show that glucose metabolism and phenol metabolism function with similar relative ATP maintenance costs. These findings demonstrate that iGR1773 can help the metabolic engineering community predict aromatic substrate utilization patterns and perform computational strain design.

Roell, Garrett W.↗
DOE OSTI2024

Template Assisted Lithium Superoxide Growth for Lithium-Oxygen Batteries

Developing batteries with energy densities comparable to internal combustion technology is essential for a worldwide transition to electrified transportation. Li-O2 batteries are seen as the ‘holy grail’ of battery technologies since they have the highest theoretical energy density of all battery technologies. Current lithium-oxygen (Li-O2) batteries suffer from large charge overpotentials related to electronic resistivity of the insulating lithium peroxide (Li2O2) discharge product. One potential solution is the formation and stabilization of a lithium superoxide (LiO2) discharge intermediate that exhibits good electronic conductivity. However, LiO2 is reported to be unstable at ambient temperature despite its favorable formation energy at -1.0 eV/atom. In this paper, based on our recent work on the development of cathode materials for aprotic lithium oxygen batteries including two intermetallic compounds, LiIr3 and LiIr, that are found to form good template interfaces with LiO2, a simple goodness of fit R factor to gauge how well a template surface structure can support LiO2 growth is developed. The R factor is a quantitative measurement to calculate the geometric difference in the unit cells of specific Miller Index 2D planes of the template surface and LiO2. Using this as a guide, the R factors for LiIr3, LiIr, and La2NiO4+, are found to be good. This guide is attested by simple extension to other noble metal intermetallics with electrochemical cycling data including LiRh3, LiRh, and Li2Pd. Finally, the template concept is extended to main group elements and the R factors for LiO2 (111) and Li2Ca suggest that Li2Ca is a possible candidate for the template assisted LiO2 growth strategy.

Intermetallics↗
DOE OSTI2021

Examining normal modes as fundamental heat carriers in amorphous solids: The case of amorphous silicon

Normal mode decomposition of atomic vibrations has been used to provide microscopic understanding of thermal transport in amorphous solids for decades. In normal mode methods, it is naturally assumed that atoms vibrate around their equilibrium positions, and that individual normal modes are the fundamental vibrational excitations transporting heat. With the abundance of predictions from normal mode methods and experimental measurements now available, we carefully analyze these calculations in amorphous silicon, a model amorphous solid. We find a number of discrepancies, suggesting that treating individual normal modes as fundamental heat carriers may not be accurate in amorphous solids. Furthermore, our classical and ab initio molecular dynamics simulations of amorphous silicon demonstrate a large degree of atomic diffusion, especially at high temperatures, leading to the conclusion that thermal transport in amorphous solids could be better described starting from the perspectives of liquid physics rather than from crystalline solids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

β -decay half-lives of 55 neutron-rich isotopes beyond the N = 82 shell gap

The β -decay half-lives of 55 neutron-rich nuclei Sn 134 - 139 , Sb 134 - 142 , Te 137 - 144 , I 140 - 146 , Xe 142 - 148 , Cs 145 - 151 , Ba 148 - 153 , and La 151 - 155 were measured at the Radioactive Isotope Beam Factory employing the projectile fission fragments of U 238 . The nuclear level structure, which relates to deformation, has a large effect on the half-lives. The impact of newly measured half-lives on modeling the astrophysical origin of the heavy elements is studied in the context of r process nucleosynthesis. For a wide variety of astrophysical conditions, including those in which fission recycling occurs, the half-lives have an important local impact on the second ( A ≈ 130) peak.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

An Evaluation of Tropical Cyclone Rainfall Structures in the HighResMIP Simulations against Satellite Observations

This study evaluates tropical cyclone (TC) rainfall structures in the CMIP6 HighResMIP global climate model (GCM) simulations against satellite rainfall retrievals. Here, we specifically focus on TCs within the deep tropics (25°S–25°N). Analysis of TC rain rate composites indicates that in comparison to the satellite observations at the same intensity, many HighResMIP simulations tend to overproduce rain rates around TCs, in terms of both maximum rain rate magnitude and area-averaged rain rates. In addition, as model horizontal resolution increases, the magnitude of the peak rain rate appears to increase. However, the area-averaged rain rates decrease with increasing horizontal resolution, partly due to the TC eyewall being located closer to the TC center, thus occupying a smaller area and contributing less to the area-averaged rain rates. The effect of ocean coupling is to lower the TC rain rates, bringing them closer to the satellite observations, due to reduced horizontal moisture flux convergence and surface latent heat flux beneath TCs. Examination of horizontal rain rate distributions indicates that vertical wind shear–induced rainfall asymmetries in HighResMIP-simulated TCs are qualitatively consistent with the observations. In addition, a positive relationship is observed between the area-averaged inner-core rainfall and TC intensification likelihoods across the HighResMIP simulations, as GCM simulations producing stronger TCs more frequently have the greater rainfall close to the center, in agreement with previous theoretical and GCM simulation results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Five-day track forecast skills of WRF model for the western North Pacific tropical cyclones

In this study, the characteristics of simulated tropical cyclones (TCs) over the western North Pacific by a regional model (the WRF Model) are verified. We utilize 12-km horizontal grid spacing, and simulations are integrated for 5 days from model initialization. A total of 125 forecasts are divided into five clusters through the k-means clustering method. The TCs in the cluster 1 and 2 (group 1), which includes many TCs moving northward in the subtropical region, generally have larger track errors than for TCs in cluster 3 and 4 (group 2). The optimal steering vector is used to examine the difference in the track forecast skill between these two groups. The bias in the steering vector between the model and analysis data is found to be more substantial for group 1 TCs than group 2 TCs. The larger steering vector difference for group 1 TCs indicates that environmental fields tend to be poorly simulated in group 1 TC cases. Furthermore, the residual terms, including the storm-scale process, asymmetric convection distribution, or beta-related effect, are also larger for group 1 TCs than group 2 TCs. Therefore, it is probable that the large track forecast error for group 1 TCs is a result of unreasonable simulations of environmental wind fields and residual processes in the midlatitudes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Emerald Connections Weatherization Plus Health Pilot Program

The Emerald Connections Weatherization Plus Health Pilot Program (Healthy Homes Pilot or the pilot), delivered 97 comprehensive energy retrofits to low-income households in two underserved communities: Lynn, Massachusetts (57) and the Beacon Hill neighborhood in Seattle, Washington (40). Designed by Emerald Cities Collaborative (ECC) and funded via a U.S. Department of Energy (DOE) Weatherization Assistance Program (WAP) Enhancement and Innovation (E&I) grant, ECC created the pilot to expand the reach and range of services typically available to participating WAP households.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Flaring Stars in a Non-targeted mm-wave Survey with SPT-3G

We present a flare star catalog from four years of non-targeted millimeter-wave survey data from the South Pole Telescope (SPT). The data were taken with the SPT-3G camera and cover a 1500-square-degree region of the sky from $20^{h}40^{m}0^{s}$ to $3^{h}20^{m}0^{s}$ in right ascension and $-42^{\circ}$ to $-70^{\circ}$ in declination. This region was observed on a nearly daily cadence from 2019-2022 and chosen to avoid the plane of the galaxy. A short-duration transient search of this survey yields 111 flaring events from 66 stars, increasing the number of both flaring events and detected flare stars by an order of magnitude from the previous SPT-3G data release. We provide cross-matching to Gaia DR3, as well as matches to X-ray point sources found in the second ROSAT all-sky survey. We have detected flaring stars across the main sequence, from early-type A stars to M dwarfs, as well as a large population of evolved stars. These stars are mostly nearby, spanning 10 to 1000 parsecs in distance. Most of the flare spectral indices are constant or gently rising as a function of frequency at 95/150/220 GHz. The timescale of these events can range from minutes to hours, and the peak $\nu L_{\nu}$ luminosities range from $10^{27}$ to $10^{31}$ erg s$^{-1}$ in the SPT-3G frequency bands.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Suppressing Co-Crystallization of Halogenated Non-Fullerene Acceptors for Thermally Stable Ternary Solar Cells

While photovoltaic blends based on non-fullerene acceptors are touted for their thermal stability, this type of acceptor tends to crystallize, which can result in a gradual decrease in photovoltaic performance and affects the reproducibility of the devices. Two halogenated indacenodithienothiophene-based acceptors that readily co-crystallize upon mixing are studied, which indicates that the use of an acceptor mixture alone does not guarantee the formation of a disordered mixture. The addition of the donor polymer to the acceptor mixture readily suppresses the crystallization, which results in a fine-grained ternary blend with nanometer-sized domains that do not coarsen due to a high T g ≈ 200 °C. As a result, annealing at temperatures of up to 170 °C does not markedly affect the photovoltaic performance of ternary devices, in contrast to binary devices that suffer from acceptor crystallization in the active layer. The results indicate that the ternary approach enables the use of high-temperature processing protocols, which are needed for upscaling and high-throughput fabrication of organic solar cells. Further, ternary devices display a stable photovoltaic performance at 130 °C for at least 205 h, which indicates that the use of acceptor mixtures allows to fabricate devices with excellent thermal stability.

14 SOLAR ENERGY↗
DOE OSTI2020

Tailored Graphene Micropatterns by Wafer-Scale Direct Transfer for Flexible Chemical Sensor Platform

2D materials, such as graphene, exhibit great potential as functional materials for numerous novel applications due to their excellent properties. The grafting of conventional micropatterning techniques on new types of electronic devices is required to fully utilize the unique nature of graphene. However, the conventional lithography and polymer-supported transfer methods often induce the contamination and damage of the graphene surface due to polymer residues and harsh wet-transfer conditions. In this work, a novel strategy to obtain micropatterned graphene on polymer substrates using a direct curing process is demonstrated. Employing this method, entirely flexible, transparent, well-defined self-activated graphene sensor arrays, capable of gas discrimination without external heating, are fabricated on 4 in. wafer-scale substrates. Finite element method simulations show the potential of this patterning technique to maximize the performance of the sensor devices when the active channels of the 2D material are suspended and nanoscaled. This study contributes considerably to the development of flexible functional electronic devices based on 2D materials.

2D materials, Graphene, Microscale patterning, Che↗
DOE OSTI2022

More Powerful Twistron Carbon Nanotube Yarn Mechanical Energy Harvesters

We report that stretching a coiled carbon nanotube (CNT) yarn can provide large, reversible electrochemical capacitance changes, which convert mechanical energy to electricity. Here, it is shown that the performance of these “twistron” harvesters can be increased by optimizing the alignment of precursor CNT forests, plastically stretching the precursor twisted yarn, applying much higher tensile loads during precoiling twist than for coiling, using electrothermal pulse annealing under tension, and incorporating reduced graphene oxide nanoplates. The peak output power for a 1 and a 30 Hz sinusoidal deformation are 0.73 and 3.19 kW kg -1 , respectively, which are 24- and 13-fold that of previous twistron harvesters at these respective frequencies. This performance at 30 Hz is over 12-fold that of other prior-art mechanical energy harvesters for frequencies between 0.1 and 600 Hz. The maximum energy conversion efficiency is 7.2-fold that for previous twistrons. Twistron anode and cathode yarn arrays are stretched 180° out-of-phase by locating them in the negative and positive compressibility directions of hinged wine-rack frames, thereby doubling the output voltage and reducing the input mechanical energy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Coexistence of Merons with Skyrmions in the Centrosymmetric Van Der Waals Ferromagnet Fe 5– x GeTe 2

Fe 5-x GeTe 2 is a centrosymmetric, layered van der Waals (vdW) ferromagnet that displays Curie temperatures T c (270–330 K) that are within the useful range for spintronic applications. However, little is known about the interplay between its topological spin textures (e.g., merons, skyrmions) with technologically relevant transport properties such as the topological Hall effect (THE) or topological thermal transport. Here, via high-resolution Lorentz transmission electron microscopy, it is shown that merons and anti-meron pairs coexist with Néel skyrmions in Fe 5-x GeTe 2 over a wide range of temperatures and probe their effects on thermal and electrical transport. A THE is detected, even at room T, that senses merons at higher T's, as well as their coexistence with skyrmions as T is lowered, indicating an on-demand thermally driven formation of either type of spin texture. Remarkably, an unconventional THE is also observed in absence of Lorentz force, and it is attributed to the interaction between charge carriers and magnetic field-induced chiral spin textures. Here these results expose Fe 5-x GeTe 2 as a promising candidate for the development of applications in skyrmionics/meronics due to the interplay between distinct but coexisting topological magnetic textures and unconventional transport of charge/heat carriers.

two-dimensional magnets↗