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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reduced recombination via tunable surface fields in perovskite thin films

Here, the ability to reduce energy loss at semiconductor surfaces through passivation or surface field engineering is an essential step in the manufacturing of efficient photovoltaic (PV) and optoelectronic devices. Similarly, surface modification of emerging halide perovskites with quasi-two-dimensional (2D) heterostructures is now ubiquitous to achieve PV power conversion efficiencies (PCEs) >25%, yet a fundamental understanding to how these treatments function is still generally lacking. Here we use a unique combination of depth-sensitive nanoscale characterization techniques to uncover a tunable passivation strategy and mechanism found in perovskite PV devices that were the first to reach the >25% PCE milestone. Namely, treatment with hexylammonium bromide leads to the simultaneous formation of an iodide-rich 2D layer along with a Br halide gradient that extends from defective surfaces and grain boundaries into the bulk three-dimensional (3D) layer. This interface can be optimized to extend the charge carrier lifetime to record values >30 μs and to reduce interfacial recombination velocities to values as low as <7 cm s −1 .

Devices for energy harvesting↗
DOE OSTI2023

Vertical and horizontal gene transfer shaped plant colonization and biomass degradation in the fungal genus Armillaria

The fungal genus Armillaria contains necrotrophic pathogens and some of the largest terrestrial organisms that cause tremendous losses in diverse ecosystems, yet how they evolved pathogenicity in a clade of dominantly non-pathogenic wood degraders remains elusive. Here we show that Armillaria species, in addition to gene duplications and de novo gene origins, acquired at least 1,025 genes via 124 horizontal gene transfer events, primarily from Ascomycota. Horizontal gene transfer might have affected plant biomass degrading and virulence abilities of Armillaria, and provides an explanation for their unusual, soft rot-like wood decay strategy. Furthermore, combined multi-species expression data revealed extensive regulation of horizontally acquired and wood-decay related genes, putative virulence factors and two novel conserved pathogenicity-induced small secreted proteins, which induced necrosis in planta. Overall, this study details how evolution knitted together horizontally and vertically inherited genes in complex adaptive traits of plant biomass degradation and pathogenicity in important fungal pathogens.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

A Dive into Underwater Solar Cells

Our oceans are vast, mostly unexplored and difficult to monitor. Large-scale implementation of a fully autonomous 'Internet of Underwater Things' would transform how we collect and share data from this domain; however, deployment is prohibited by the lack of persistent power sources. In principle, underwater solar-energy generation can complement the use of batteries and provide a solution, although dedicated research is needed since traditional silicon solar cells do not perform well underwater due to water's strong absorption of near-infrared light. In this Perspective we present examples of solar-powered underwater applications and discuss which types of solar-harvesting materials could be appropriate, including GaInP variants, CdTe, organic semiconductors, and perovskite semiconductors. We also discuss challenges that need to be addressed, such as the development of effective antifouling coatings and new certification standards given that underwater conditions are starkly different from those in terrestrial environments.

antifouling coatings↗
DOE OSTI2020

The FLUXNET2015 dataset and the ONEFlux processing pipeline for eddy covariance data

The FLUXNET2015 dataset provides ecosystem-scale data on CO2, water, and energy exchange between the biosphere and the atmosphere, and other meteorological and biological measurements, from 212 sites around the globe (over 1500 site-years, up to and including year 2014). These sites, independently managed and operated, voluntarily contributed their data to create global datasets. Data were quality controlled and processed using uniform methods, to improve consistency and intercomparability across sites. The dataset is already being used in a number of applications, including ecophysiology studies, remote sensing studies, and development of ecosystem and Earth system models. FLUXNET2015 includes derived-data products, such as gap-filled time series, ecosystem respiration and photosynthetic uptake estimates, estimation of uncertainties, and metadata about the measurements, presented for the first time in this paper. In addition, 206 of these sites are for the first time distributed under a Creative Commons (CC-BY 4.0) license. This paper details this enhanced dataset and the processing methods, now made available as open-source codes, making the dataset more accessible, transparent, and reproducible.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

A new non-diffusional gas bubble production route in used nuclear fuel: Implications for fission gas release, cladding corrosion, and next generation fuel design

The relationship between noble metal phase particles and fission gas bubble production in used nuclear fuel is described. The majority of Te atoms within noble metal phase undergo radioactive decay to form stable Xe within a few hours after particle formation. This results in the production of clusters of Xe atoms contained within the solid metal matrix exhibiting an equivalent gas bubble pressure approaching 1 GPa. These high pressure bubbles are stabilized by the UO2 within the bulk of the fuel. However, when these bubbles form near the fuel / cladding interface, in combination with local and temporal damage caused by fission recoil, they are capable of overcoming the fracture strength of the UO2 and rupturing catastrophically. The force of the resulting bubble rupture is sufficient to eject noble metal phase particles several microns into the cladding. This proposed mechanism explains the observance of noble metal phase in cladding and is consistent with a host of morphological features found near the fuel / cladding interface.

Schwantes, Jon M.↗
DOE OSTI2021

Lithium vanadium oxide (Li 1.1 V 3 O 8 ) thick porous electrodes with high rate capacity: utilization and evolution upon extended cycling elucidated via operando energy dispersive X-ray diffraction and continuum simulation

The phase distribution of lithiated LVO in thick (~500 μm) porous electrodes (TPEs) designed to facilitate both ion and electron transport was determined using synchrotron-based operando energy dispersive X-ray diffraction (EDXRD). Probing 3 positions in the TPE while cycling at a 1C rate revealed a homogeneous phase transition across the thickness of the electrode at the 1st and 95th cycles. Additionally, continuum modelling indicated uniform lithiation across the TPE in agreement with the EDXRD results and ascribed decreasing accessible active material to be the cause of loss in delivered capacity between the 1st and 95th cycles. The model was supported by the observation of significant particle fracture by SEM consistent with loss of electrical contact. Overall, the combination of operando EDXRD, continuum modeling, and ex situ measurements enabled a deeper understanding of lithium vanadium oxide transport properties under high rate extended cycling within a thick highly porous electrode architecture.

25 ENERGY STORAGE↗
DOE OSTI2020

Lattice expansion and ligand twist during CO2 adsorption in flexible Cu bipyridine metal–organic frameworks

Flexible metal–organic frameworks (MOFs) can show exceptional selectivity and capacity for adsorption of CO 2 . The incorporation of CO 2 into flexible MOFs that have Cu 2+ coordination centers and organic pillar ligands is accompanied by a distortion of the framework lattice arising from chemical interactions between these components and CO 2 molecules. CO 2 adsorption yields a reproducible lattice expansion that is enabled by the rotation of the pillar ligands. The structures of Cu 2 (pzdc) 2 (bpy) and Cu 2 (pzdc) 2 (bpe), CPL-2 and CPL-5, were evaluated using in situ synchrotron X-ray powder diffraction at room temperature at CO 2 gas pressures up to 50 atm. The structural parameters exhibit hysteresis between pressurization and depressurization. The pore volume within CPL-2 and CPL-5 increases at elevated CO 2 pressure due to a combination of the pillar ligand rotation and the overall expansion of the lattice. Volumetric CO 2 adsorption measurements up to 50 atm reveal adsorption behavior consistent with the structural results, including a rapid uptake of CO 2 at low pressure, saturation above 20 atm, and hysteresis evident as a retention of CO 2 during depressurization. Finally, a significantly greater CO 2 uptake is observed in CPL-5 in comparison with predictions based on CO 2 pressure-induced expansion of the pore volume available for adsorption, indicating that the flexibility of the CPL structures is a key factor in enhancing adsorption capacity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Classification of gaseous UF 6 assay by femtosecond LIBS in the 424.4 nm spectral region using numerical HOGSVD-DTW features

This technical note presents experimental results using numerical features of fs-LIBS data to classify the assay value of a gaseous UF 6 material. Here, the data-driven feature vectors are computed by Higher Order Generalized Singular Value Decomposition (HOGSVD) and Dynamic Time Warp (DTW). The method achieves 96.97% accuracy in spectral classification testing with fs-LIBS samples obtained from a UF 6 material with five known assay values ranging from 0.287% to 61.740%, with 100% accuracy for the four largest assay values ranging from 4.615% to 61.740%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Topotactic Phase Transformation of Lithiated Spinel to Layered LiMn0.5Ni0.5O2: The Interaction of 3-D and 2-D Li-ion Diffusion

This study investigates the structural evolution of LiMn0.5Ni0.5O2 cathode materials for Li-ion batteries as a function of synthesis temperature and its effect on electrochemical performance. It is demonstrated that, as the synthesis temperature increases from 400 to 900 ?C, a gradual topotactic transformation occurs between a lithiated spinel structure, denoted herein as “lithium-excess spinel” LxS-LiMn0.5Ni0.5O2 (or LxS-LMNO), and the well-known layered LiMn0.5Ni0.5O2 structure prepared at high temperature, HT-LiMn0.5Ni0.5O2 (HT-LMNO). The electrochemical capacity of the LiMn0.5Ni0.5O2 electrodes follows a parabolic trend with increasing synthesis temperature, which is attributed primarily to the gradual transformation of 3-dimensional (3-D) to 2-dimensional (2-D) diffusion pathways for the Li ions. When synthesized at 400 °C, LxS-LiMn0.5Ni0.5O2 electrodes perform well, benefitting from the 3-D network of channels within the LxS structure. By contrast, when prepared at 500-700 °C, LiMn0.5Ni0.5O2 electrodes operate poorly, which is attributed to the formation of locally disordered structural arrangements that impede Li-ion diffusion. Such an increase in local disorder in the mid-temperature synthesis range is attributed to the structural frustration between the lithium-excess spinal and layered end-members. The transformation from the locally disordered to more ordered layered components between 700 °C and 900 °C enhances electrochemical performance. The study opens new avenues for designing next-generation Mn-rich cathode materials by fine-tuning the synthesis conditions as well as the composition and structure of LxS-LMNO electrodes.

energy storage↗
DOE OSTI2021

Understanding supercooling mechanism in sodium sulfate decahydrate phase-change material

Salt hydrate-based phase-change materials are considered promising for future heat storage applications in residential heating/cooling systems. Smooth phase transition from the liquid to solid phase and vice versa is essential for effective heat exchanger; however, supercooling in salt hydrates delays the onset of liquid–solid phase transition. We investigate the molecular level mechanism of supercooling in sodium sulfate decahydrate (SSD). SSD is a complex salt hydrate whose properties are governed by electrostatic forces that include pure Coulombic interactions as well as hydrogen bonds. Experimentally, we examine the importance of a nucleator in reducing supercooling temperatures. We investigated the effect of various mass concentrations of a borax nucleator on a decrease of supercooling temperatures. Molecular dynamics simulation techniques are used to obtain a basic understanding of supercooling in SSD. We observe that by introducing borax as a nucleator, there is a decrease in the supercooling temperature before nucleation. Our molecular dynamics simulations show that long-range electrostatics between sodium and sulfate ion pairs and that with polar water molecules is responsible for delayed nucleation in SSD that results in supercooling, and also, dynamics of charged molecules slows down. The lack of crystallization leads to amorphous structures in supercooled SSD.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluation of U10Mo Fuel Plate Performance Modeling Over Hot Isostatic Press and Hydraulic Bending for MURR DDE Plates

The United States High Performance Research Reactor Program’s objective is to reduce the amount of highly enriched uranium currently implemented in research reactors. The conversion of these research reactors requires designing a monolithic U10Mo plate fuel, with the fuel plate geometry being dependent on each research reactor. The process of forming the plates includes a hot isostatic pressing (HIP) to manufacture a prototypic plate. In the case of the Missouri University Research Reactor (MURR) design demonstration element (DDE) plate manufacture, plates that have been through HIP are then curved using dies and a hydraulic press to impart the desired curvature. Both fabrication processes impart residual stresses into each fuel plate region, with the curvature of the plates taking some regions of the fuel plate up to their material yield stresses, accompanied by plastic strain. The amount of plastic strain and stress imparted onto each MURR DDE plate is determined by the radius of curvature, thickness of each region, and overall width of the fuel plates. Furthermore, this work aims to predict the yield stresses and strain using ABAQUS to simulate the proposed fabrication process of the MURR DDE plates, accompanied by discussion over the stresses and strains as to their relation to nuclear fuel performance and the impact they will have during early irradiation.

ABAQUS↗
DOE OSTI2021

A Multi-Analysis Approach for Estimating Regional Health Impacts from the 2017 Northern California Wildfires

In the evening of October 8 and early hours of October 9, 2017, high winds in Northern California downed trees and power lines, igniting some of the most devastating wildfires the state had seen, and within hours unhealthy air quality impacted millions of people. We simulated these air quality conditions using fire detection information from the MODIS, VIIRS, and GOES-16 ABI satellite instruments, and applying a set of three WRF–CMAQ simulations, one data fusion, and three machine learning methods. We investigated using the 5-min available GOES-16 fire detection data to simulate timing of fire activity to allocate emissions hourly for the WRF-CMAQ air quality modeling system. Interestingly, this approach did not necessarily improve results compared to the baseline case, which used a default time profile. However, this approach was key to simulating the initial 12-hr explosive fire activity and smoke impacts. The WRF-CMAQ simulations compared well with observational data for the October 8-15 time period and tended to overestimate concentrations October 16-20. To improve these results, we applied three machine learning algorithms. We also had a unique opportunity to evaluate results with temporary monitors deployed specifically for wildfires, and performance was markedly different. For example, at the permanent monitoring locations, the WRF-CMAQ simulations had a Pearson correlation of 0.65, and the data fusion approach improved this (Pearson correlation = 0.95), while at the temporary monitor locations across the WRF-CMAQ, data fusion, and machine learning datasets, the best Pearson correlation was 0.5. The data fusion and machine learning results were biased low and WRF-CMAQ results were biased high. Finally, we applied the optimized PM2.5 exposure estimate in a short-term exposure-response function. Total estimated mortality attributable to PM2.5 exposure during the smoke episode was 83 (95% confidence interval: 0, 196) with 47% of these deaths attributable to wildland fire smoke.

O'Neill, Susan↗
DOE OSTI2020

The Atacama Cosmology Telescope: arcminute-resolution maps of 18 000 square degrees of the microwave sky from ACT 2008–2018 data combined with Planck

This paper presents a maximum-likelihood algorithm for combining sky maps with disparate sky coverage, angular resolution and spatially varying anisotropic noise into a single map of the sky. We use this to merge hundreds of individual maps covering the 2008–2018 ACT observing seasons, resulting in by far the deepest ACT maps released so far. We also combine the maps with the full Planck maps, resulting in maps that have the best features of both Planck and ACT: Planck’s nearly white noise on intermediate and large angular scales and ACT’s high-resolution and sensitivity on small angular scales. The maps cover over 18 000 square degrees, nearly half the full sky, at 100, 150 and 220 GHz. Furthermore, they reveal 4 000 optically-confirmed clusters through the Sunyaev Zel’dovich effect (SZ) and 18 500 point source candidates at > 5σ, the largest single collection of SZ clusters and millimeter wave sources to date. The multi-frequency maps provide millimeter images of nearby galaxies and individual Milky Way nebulae, and even clear detections of several nearby stars. Other anticipated uses of these maps include, for example, thermal SZ and kinematic SZ cluster stacking, CMB cluster lensing and galactic dust science. The method itself has negligible bias. However, due to the preliminary nature of some of the component data sets, we caution that these maps should not be used for precision cosmological analysis. The maps are part of ACT DR5, and will be made available on LAMBDA no later than three months after the journal publication of this article, along with an interactive sky atlas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Design of the American Wake Experiment (AWAKEN) field campaign

The American WAKE experimeNt (AWAKEN) is a multi-institutional collaborative field campaign, starting in March 2022, that will gather an unprecedented data set including both atmospheric observations and wind plant operational data. This comprehensive data set will be used to characterize the wind plant performance and turbine loading in different operational and atmospheric conditions and validate the use of different wind plant control strategies and simulation frameworks. An extensive field campaign like AWAKEN requires proper coordination and long-term planning to be successful. In this paper, we review the major activities planned during AWAKEN to provide information for current and future project partners. Specifically, we provide information about the project sites, their planned instruments, and how these will relate to the scientific objectives of the overall AWAKEN project.

17 WIND ENERGY↗