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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Constraining CO coverage on copper promotes high-efficiency ethylene electroproduction

The availability of inexpensive industrial CO gas streams motivates efficient electrocatalytic upgrading of CO to higher-value feedstocks such as ethylene. However, the electrosynthesis of ethylene by the CO reduction reaction (CORR) has suffered from low selectivity and energy efficiency. Here we find that the recent strategy of increasing performance through use of highly alkaline electrolyte—which is very effective in CO 2 RR—fails in CORR and drives the reaction to acetate. We then observe that ethylene selectivity increases when we constrain (decrease) CO availability. Using density functional theory, we show how CO coverage on copper influences the reaction pathways of ethylene versus oxygenate: lower CO coverage stabilizes the ethylene-relevant intermediates whereas higher CO coverage favours oxygenate formation. We then control local CO availability experimentally by tuning the CO concentration and reaction rate; we achieve ethylene Faradaic efficiencies of 72% and a partial current density of >800 mA cm -2 . The overall system provides a half-cell energy efficiency of 44% for ethylene production.

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

Transformer spin-triplet superconductivity at the onset of isospin order in bilayer graphene

We consider the origin of superconductivity found recently in Bernal bilayer graphene at the onset of isospin-polarized order, trying to infer the pairing mechanism and superconducting order from the measurements available to date. The superconductivity is induced by a parallel magnetic field and persists well above the Pauli limit, indicating an unconventional scenario of quantum-critical pairing, where soft fluctuations of isospin give rise to spin-triplet superconductivity. We consider the scenario in which the pairing interaction is entirely repulsive, which stands in contrast to the typical quantum-critical pairing mechanisms. Superconductivity emerges through a “transformer” mechanism where, in the presence of an in-plane magnetic field, the incipient valley polarization converts a frequency-independent repulsion into one with a strong nonmonotonic frequency dependence. Such an interaction enables a nonzero solution for the pairing gap function that changes sign as a function of frequency. Furthermore, the same mechanism holds at zero field in the presence of spin-orbit coupling, providing a likely explanation for the recently observed superconductivity in bilayer graphene on the WSe 2 monolayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Recent advances in integrated hydrologic models: Integration of new domains

Over the past several decades, hydrologic models have advanced from independent models of the surface and subsurface to integrated models that can capture the terrestrial hydrologic cycle within one framework. In recent years, these coupled frameworks have seen the inclusion of biogeochemical processes, ecohydrology, sedimentation and erosion, cold region hydrology, anthropogenic activities, and atmospheric processes. This expansion is the result of increased computational, data, and modeling capabilities and capacities, as well as improved understanding of the processes that drive these integrated systems. Here, in this study, we review these recent advances to integrate new processes and systems into existing terrestrial hydrologic models and highlight the significant challenges and opportunities that remain. We identify that with so many models currently available and in development, selecting the most appropriate model is difficult, and we suggest a path for new or novice modelers to find the most appropriate code based on their needs. In addition, data required to parameterize and calibrate these models can often constrain their applicability and usefulness. However, advances in environmental sensors and measurement technology, in addition to data assimilation of non-traditional data (e.g. remote sensing, qualitative data) are providing new ways of addressing this issue. As we expand hydrologic models to integrate more processes and systems, our computational demands also increase. Recent and emerging advances in computational platforms, including cloud and quantum computing, in addition to the use of machine learning to capture some processes, will continue to support the use of increasingly larger and more complex, process-based models. Finally, we highlight that it is critical to develop state-of-the-science models that are accessible to all model users, not just those applied for research and development. We encourage continued development of diverse modeling platforms, considering the user needs, data availability, and computational resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

NUHOWS - Storage and Transportation of Irradiated Reactor Components in Large Packages - 13439

Most irradiated reactor components (hardware such as Control Rod Blades, Fuel Channels, Poison Curtains, etc.) generated at reactors previously required significant processing for size reduction due to the available transportation casks not being physically capable of containing unprocessed material. As of July 1, 2008, disposal for this typical waste class (B and C) became inaccessible (for the major part of the nation) due to the Barnwell, SC disposal facility being closed to all but its three compact states (CT, NJ and SC). Currently in the United States, most facilities are storing their irradiated hardware on-site in the spent fuel pools. Until recently with the opening of the Waste Control Specialists' Texas disposal facility, utilities faced the challenges of spent fuel pool space and capacity management. However, even with WCS's disposal availability, the site currently has annual Curie limitations for disposal, which will continue to promote interim on-site storage until such time as disposal is available. In response, Transnuclear Inc., (TN) an AREVA company, proceeded with designing a new large Radioactive Waste Container (RWC) that can be used to package irradiated hardware without the need for significant processing. The design features of the RWC allows for intermittent loadings of the hardware for better packaging efficiency, higher packaging density, space savings and reduced cost. This RWC is also compatible with TN's on-site modular vault storage system. Once completely loaded, the RWC can be transported to an on-site storage facility, an off-site storage facility and/or an available disposal facility. To accommodate the transportation, TN has designed a large transportation cask, the MP197HB. As the original design was for transporting fuel, it contains the necessary shielding to allow for the transport of unprocessed irradiated reactor components, while significantly reducing the amount of irradiated hardware shipments required with the use of the new RWC. This paper provides information on the unique design features of the RWC, storage module vaults, MP197HB Transportation Cask and cost saving benefits of using the large RWC for packaging, storage, transport and disposal. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Small Hydropower in the United States

Small hydropower, defined in this report as hydropower with a generating capacity of up to 10 MW typically built using existing dams, pipelines, and canals has substantial opportunity for growth. Existing small hydropower comprises about 75% of the current US hydropower fleet in terms of number of plants. The economic feasibility of developing new small hydropower projects has substantially improved recently, making small hydropower the type of new hydropower development most likely to occur. In 2013, Congress unanimously approved changes to simplify federal permitting requirements for small hydropower, lowering costs and reducing the amount of time required to receive federal approvals. In 2014, Congress funded a new federal incentive payment program for hydropower, currently worth approximately 1.5 cents/kWh. Federal and state grant and loan programs for small hydropower are becoming available. Pending changes in federal climate policy could benefit all renewable energy sources, including small hydropower. Notwithstanding remaining barriers, development of new small hydropower is expected to accelerate in response to recent policy changes.

13 HYDRO ENERGY↗
DOE OSTI2016

in silico Whole Genome Sequencer & Analyzer (iWGS): A Computational Pipeline to Guide the Design and Analysis of de novo Genome Sequencing Studies

The availability of genomes across the tree of life is highly biased toward vertebrates, pathogens, human disease models, and organisms with relatively small and simple genomes. Recent progress in genomics has enabled the de novo decoding of the genome of virtually any organism, greatly expanding its potential for understanding the biology and evolution of the full spectrum of biodiversity. The increasing diversity of sequencing technologies, assays, and de novo assembly algorithms have augmented the complexity of de novo genome sequencing projects in nonmodel organisms. To reduce the costs and challenges in de novo genome sequencing projects and streamline their experimental design and analysis, we developed iWGS (in silico Whole Genome Sequencer and Analyzer), an automated pipeline for guiding the choice of appropriate sequencing strategy and assembly protocols. iWGS seamlessly integrates the four key steps of a de novo genome sequencing project: data generation (through simulation), data quality control, de novo assembly, and assembly evaluation and validation. The last three steps can also be applied to the analysis of real data. iWGS is designed to enable the user to have great flexibility in testing the range of experimental designs available for genome sequencing projects, and supports all major sequencing technologies and popular assembly tools. Three case studies illustrate how iWGS can guide the design of de novo genome sequencing projects, and evaluate the performance of a wide variety of user-specified sequencing strategies and assembly protocols on genomes of differing architectures. iWGS, along with a detailed documentation, is freely available at https://github.com/zhouxiaofan1983/iWGS.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH{sub 4} system

We report a permutationally invariant global potential energy surface (PES) for the H + CH{sub 4} system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J{sub tot} = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Near-term acceleration of hydroclimatic change in the western U.S.

Given its large population, vigorous and water-intensive agricultural industry, and important ecological resources, the western United States presents a valuable case study for examining potential near-term changes in regional hydroclimate. Using a high-resolution, hierarchical, five-member ensemble modeling experiment that includes a global climate model (CCSM), a regional climate model (RegCM), and a hydrological model (VIC), we find that increases in greenhouse forcing over the next three decades result in an acceleration of decreases in spring snowpack and a transition to a substantially more liquid-dominated water resources regime. These hydroclimatic changes are associated with increases in cold-season days above freezing and decreases in the cold-season snow-to-precipitation ratio. The changes in the temperature and precipitation regime in turn result in shifts toward earlier snowmelt, baseflow, and runoff dates throughout the region, as well as reduced annual and warm-season snowmelt and runoff. The simulated hydrologic response is dominated by changes in temperature, with the ensemble members exhibiting varying trends in cold-season precipitation over the next three decades, but consistent negative trends in cold-season freeze days, cold-season snow-to-precipitation ratio, and April 1st snow water equivalent. Given the observed impacts of recent trends in snowpack and snowmelt runoff, the projected acceleration of hydroclimatic change in the western U.S. has important implications for the availability of water for agriculture, hydropower and human consumption, as well as for the risk of wildfire, forest die-off, and loss of riparian habitat.

Ashfaq, Moetasim↗
DOE OSTI2018

Toward the development of performance-related specification for bio-rejuvenators

The use of reclaimed asphalt pavement (RAP) and recycled asphalt shingles (RAS) has many benefits. However, premature cracking has become a serious concern for mixes containing RAP/RAS. Recently, a variety of bio-rejuvenators have been developed to address the premature cracking issue. However, there is no purchasing specification available for bio-rejuvenators. Here, this paper presents the efforts made toward the development of performance-related specification for bio-rejuvenators. A total of eight bio-rejuvenators including seven commercial bio-rejuvenators and one recycled vegetable oil, were evaluated in this study. Their chemical and rheological properties and aging characteristics were measured. In addition, the effectiveness of the eight bio-rejuvenators in improving low temperature property of (recycled) asphalt binders was investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Developments of the EXFOR Database: Possible New Formats

The EXFOR database is a collection of experimental nuclear reaction data, maintained by the IAEA on behalf of the International Network of Nuclear Reaction Data Centres (NRDC). The format for the storage of such data was first described in 1969 and while there have been many incremental changes over the years so that the format is now capable of containing a very wide range of measurement results, there is a growing realisation that a major change is required. Consequently the IAEA Nuclear Data Section (NDS) organised a Consultant's Meeting on ‘Further Development of EXFOR’ in 2012. This was an opportunity for a range of international experts to discuss ways of improving EXFOR and while this focused on new formats there was also discussion on ways of storing new data, new output formats and software tools such as editors. This paper will discuss recent and proposed changes to enable new quantities to be stored (such as coincidence measurements and covariances), the range of output formats available (e.g. C4 and X4+) which make interaction with the data more user friendly and the possible use of XML to modernise the database.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

FRAM v5.2 estimation of plutonium and uranium isotopics using digitized 3-D position-sensitive CdZnTe detectors

Gamma-ray spectroscopy is an important tool used in international safeguards to measure plutonium and uranium isotopics. Recently developed, digital, 3-D position-sensitive CdZnTe gamma-ray spectrometers are promising for safeguards, offering improved performance over commonly available CdZnTe systems, with energy resolutions approaching that of high-purity germanium. CdZnTe gamma-ray spectra from plutonium and uranium samples were processed using the commercially available software FRAM v5.2, a tool that estimates plutonium and uranium isotopics from high-purity germanium spectra, across a wide range of materials. Furthermore using digital CdZnTe systems 239 Pu/ 240 Pu isotopic composition and effective 240 Pu percentage are evaluated to within less than 3 sigma statistical measurement uncertainty across reactor to weapons-grade samples, while low and highly-enriched uranium are easily distinguished.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Critical mineral source potential from oil & gas produced waters in the United States

The volume of produced water, a by-product of oil & gas operations and other energy processes, has been growing across the United States (U.S.) along with the need to manage or recycle this wastewater. Produced water contains many naturally occurring elements of varying concentrations, including critical minerals which are essential to the clean energy transition. However, the current understanding of critical mineral concentrations in produced water and the associated volumes across the U.S. is limited. This study has assessed available databases and literature to gain insight into the presence and concentration of five high priority critical minerals, namely cobalt, lithium, magnesium, manganese, and nickel. The U.S. Geological Survey's National Produced Waters Geochemical Database was the main data source used for determining average critical mineral concentrations in produced water from the major oil and gas reservoirs in the U.S. The volumes of produced water for these major reservoirs were coupled with these concentrations to provide insights into where critical minerals are likely to have high abundance and therefore more recovery options. The analysis indicated the highest recovery potential for lithium and magnesium from produced water in the Permian basin and the Marcellus shale region. However, these assessments should be considered conservative due to the limited availability of reliable concentration data. Finally, it is expected more critical mineral recovery options could emerge with comprehensive characterization data from more recent and representative sources of produced water.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Graphene in perovskite solar cells: device design, characterization and implementation

Conversion of light energy directly into electricity by solar cell devices represents one of the most promising options for highly scalable renewable power. Tremendous effort has been directed at improving photovoltaic (PV) conversion efficiencies, resulting in dramatic device performance increases over the past two decades for novel, cost-effective PV systems. Nevertheless, performance issues related to device stability, scalability, and flexibility prevent these novel designs from achieving their market potential. For mechanically flexible architectures, integration of new materials such as graphene-derived nanomaterials (i.e. graphene/graphite oxide and their modified analogs with other nanocarbons and carbon nanotubes) may be necessary to enhance alternatives to silicon-based PV systems. Among the diverse solar technologies, perovskite solar cells—most notably organometal halides—have stood out from the crowd with solar efficiencies over 20% and potential for highly scalable manufacturing. Here, we review the use of graphene and graphene-derived nanomaterials in new designs of perovskite solar cells associated with organic–inorganic metal halide perovskites utilized as light-harvesting layers, outlining design perspectives, device characterization, and performance. Recent efforts to clarify stability issues and efficiency control mechanisms are also briefly discussed, and we provide some perspective on the currently available literature and future research directions in the field.

Acik, Muge↗
DOE OSTI2019

Interactions between plants and soil shaping the root microbiome under abiotic stress

Plants growing in soil develop close associations with soil microorganisms, which inhabit the areas around, on, and inside their roots. These microbial communities and their associated genes — collectively termed the root microbiome — are diverse and have been shown to play an important role in conferring abiotic stress tolerance to their plant hosts. In light of growing concerns over the threat of water and nutrient stress facing terrestrial ecosystems, especially those used for agricultural production, increased emphasis has been placed on understanding how abiotic stress conditions influence the composition and functioning of the root microbiome and the ultimate consequences for plant health. However, the composition of the root microbiome under abiotic stress conditions will not only reflect shifts in the greater bulk soil microbial community from which plants recruit their root microbiome but also plant responses to abiotic stress, which include changes in root exudate profiles and morphology. Exploring the relative contributions of these direct and plant-mediated effects on the root microbiome has been the focus of many studies in recent years. Here, we review the impacts of abiotic stress affecting terrestrial ecosystems, specifically flooding, drought, and changes in nitrogen and phosphorus availability, on bulk soil microbial communities and plants that interact to ultimately shape the root microbiome. We conclude with a perspective outlining possible directions for future research needed to advance our understanding of the complex molecular and biochemical interactions between soil, plants, and microbes that ultimately determine the composition of the root microbiome under abiotic stress.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Size-dependent mechanical properties of Mg nanoparticles used for hydrogen storage

Magnesium (Mg) hydride is a promising hydrogen storage material, yet its application has been limited by the slow hydrogen sorption kinetics. Recently, Mg nanoparticles have shown significant improvement of hydrogen storage properties in terms of dimensional stability upon cycling with the trend that the smaller the particle, the better the sorption kinetics. Since the volume change during sorption generates stress, leading to plastic deformation, the fundamentals of the mechanical deformation of the Mg particles are a significant issue. By using in situ transmission electron microscope compression tests and atomistic simulations on Mg nanoparticles, it was observed that deformation in the larger particles was dominated by the nucleation of 〈a〉-type dislocations from stress concentrations at the contact surface, while the smaller particles deformed more homogeneously with greater distribution of multiple types of dislocation sources. Importantly, this improvement of plastic deformation with decrease in size is orientation-independent. First-principles calculations suggest that this improved plasticity can be explained by the nearly-isotropic ideal shear strength for Mg, which becomes more important in smaller nanoparticles. As a result, the smaller Mg nanoparticles demonstrated better plastic stability to accommodate volume change upon hydrogen storage cycling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Large methane emission upon spring thaw from natural wetlands in the northern permafrost region

The permafrost carbon climate feedback is one of the major mechanisms in controlling the climate ecosystem interactions in northern high latitudes. Of this feedback, methane (CH4) emission from natural wetlands is critically important due to its high warming potential. The freeze thaw transition has been confirmed to play an important role in annual CH4 budget, yet the magnitude of this effect is uncertain. An intensive field campaign was carried out in the Sanjiang Plain, Northeast China to estimate the CH4 emission in the spring freeze thaw transition period. The observation concluded that a large CH4 source was caused by spring thaw; the maximum hourly emission rate was 48.6 g C m 2 h 1, more than three orders of the regularly observed CH4 emission rate in the growing season. In some sporadically observed 'hot spots', the spring thawing effect contributed to a large CH4 source of 31.3 10.1 g C m 2, which is approximately 80% of the previously calculated annual CH4 emission in the same study area. If our results are typical for natural wetlands in the Northern Hemisphere permafrost region, we estimate a global CH4 source strength of 0.5 1.0 Tg C (1 Tg =1012 g) caused by spring thaw in the Northern Hemisphere permafrost region in the year 2011. Combining with available satellite and flask data, a regional extrapolation reaches a temporal pattern of CH4 emission during 2003 2009 which is consistent with recently observed changes in atmospheric CH4 concentration in the high latitudes. This suggests that the CH4 emission upon spring thaw in the high latitudes might be enhanced by the projected climate warming. These findings indicate that the spring thawing effect is an important mechanism in the permafrost carbon climate feedback and needs to be incorporated in Earth system models.

Song, Changchun↗
DOE OSTI2019

Deep ugrizY imaging and DEEP2/3 spectroscopy: a photometric redshift testbed for LSST and public release of data from the DEEP3 Galaxy Redshift Survey

ABSTRACT We present catalogues of calibrated photometry and spectroscopic redshifts in the Extended Groth Strip, intended for studies of photometric redshifts (photo-z’s). The data includes ugriz photometry from Canada–France–Hawaii Telescope Legacy Survey (CFHTLS) and Y-band photometry from the Subaru Suprime camera, as well as spectroscopic redshifts from the DEEP2, DEEP3, and 3D-HST surveys. These catalogues incorporate corrections to produce effectively matched-aperture photometry across all bands, based upon object size information available in the catalogue and Moffat profile point spread function fits. We test this catalogue with a simple machine learning-based photometric redshift algorithm based upon Random Forest regression, and find that the corrected aperture photometry leads to significant improvement in photo-z accuracy compared to the original SExtractor catalogues from CFHTLS and Subaru. The deep ugrizY photometry and spectroscopic redshifts are well suited for empirical tests of photometric redshift algorithms for LSST. The resulting catalogues are publicly available at http://d-scholarship.pitt.edu/36064/. We include a basic summary of the strategy of the DEEP3 Galaxy Redshift Survey to accompany the recent public release of DEEP3 data.

79 ASTRONOMY AND ASTROPHYSICS↗