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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

ANALYSIS OF SAFETY IMPACTS FROM EXTERNAL FLOODING USING THE RISK-INFORMED SAFETY MARGIN CHARACTERIZATION (RISMC) TOOLKIT

The existing fleet of U.S. nuclear power plants is in the process of extending its lifetime and increasing the power generated from these plants via power uprates. In order to evaluate the impact of these factors on the safety of the plant, the Risk-Informed Safety Margin Characterization (RISMC) project aims to provide insight to decision makers through a series of simulations of the plant dynamics for different initial conditions (e.g., probabilistic analysis and uncertainty quantification). This paper demonstrates how Idaho National Laboratory (INL) researchers use the RISMC Toolkit to investigate complex nuclear plant phenomena using RAVEN and RELAP-7. The analysis focused on a highly relevant topic currently facing some nuclear power plants – specifically flooding issues. This research and development looked at challenges to a hypothetical pressurized water reactor, including: (1) a potential loss of off-site power followed by the possible loss of all diesel generators (i.e., a station black-out event), (2) earthquake induced station-blackout, and (3) a potential earthquake induced tsunami flood. The analysis is performed by using a set of codes: a thermal-hydraulic code (RELAP-7), a flooding simulation tool (NEUTRINO) and a stochastic analysis tool (RAVEN) – these are currently under development at INL. Using RAVEN, we were able to perform multiple RELAP-7 simulation runs by changing specific parts of the model in order to reflect specific aspects of different scenarios, including both the failure and recovery of critical components. The simulation employed traditional statistical tools (such as Monte-Carlo sampling) and more advanced machine-learning based algorithms to perform uncertainty quantification in order to understand changes in system performance and limitations as a consequence of power uprate. Qualitative and quantitative results obtained gave a detailed picture of the issues associated with potential accident scenarios. These types of insights can provide useful material for decision makers to perform risk-informed margins management.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition

Anthropogenic mercury (Hg(0)) emissions oxidize to gaseous Hg(II) compounds, before deposition to Earth surface ecosystems. Atmospheric reduction of Hg(II) competes with deposition, thereby modifying the magnitude and pattern of Hg deposition. Global Hg models have postulated that Hg(II) reduction in the atmosphere occurs through aqueous-phase photoreduction that may take place in clouds. Here we report that experimental rainfall Hg(II) photoreduction rates are much slower than modelled rates. We compute absorption cross sections of Hg(II) compounds and show that fast gas-phase Hg(II) photolysis can dominate atmospheric mercury reduction and lead to a substantial increase in the modelled, global atmospheric Hg lifetime by a factor two. Models with Hg(II) photolysis show enhanced Hg (0) deposition to land, which may prolong recovery of aquatic ecosystems long after Hg emissions are lowered, due to the longer residence time of Hg in soils compared with the ocean. Fast Hg(II) photolysis substantially changes atmospheric Hg dynamics and requires further assessment at regional and local scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Intricacies of frustrated magnetism in the Kondo metal YbAgGe

The combination of localized magnetic moments, their frustration and interaction with itinerant electrons is a key challenge of condensed matter physics. Frustrated magnetic interactions promote degenerate ground states with enhanced fluctuations, a topic that is predominantly studied in magnetic insulators. The coupling between itinerant and localized electrons in metals add complexity to the problem, and is presently formulated only for extreme cases in which the itinerant electrons mediate exchange between localized spins (RKKY interaction) or suppress the formation of magnetic moments (Kondo screening). Here, we report an in-depth experimental study of the distorted Kagome metal YbAgGe, unravelling the open questions of how frustration, localized magnetism and itinerant electrons are intertwined in frustrated Kondo metals. We find that coupled itinerant and localized electrons give rise to dynamic magnetic correlations below T* ≈ 20 K. At lower temperature, frustrated magnetic interactions establish anisotropic magnetic short-range correlations that culminate into antiferromagnetic long-range order below T N = 0.68 K with a significantly reduced modulated magnetic moment. We show that local moment Hamiltonians can yield limited understanding of the microscopic behaviour in frustrated metals, and prompt the extension of more sophisticated model Hamiltonians incorporating itinerant effects.

Mazzone, Daniel G. [PSI Center for Neutron and Muo↗
DOE OSTI2022

Lowest-energy broad 𝛼-cluster resonances in 19 F

There is strong astrophysical interest in the structure of 19 F states near the α-decay threshold, as their properties are important for understanding the development of α clustering in the 20 Ne region. The emergence of clustered states, and more generally of states that couple strongly to reaction channels near their decay thresholds, is also a topic of current interest in theoretical nuclear physics. In this work, we determine the parameters of broad low-spin states in 19 F near the α-decay threshold and present a theoretical study of these states. The analysis is restricted to ℓ = 0 and 1 resonances in the α + 15 N system close to the α threshold in 19 F. Excitation functions for 15 N(α,α) elastic scattering were measured using the Thick Target Inverse Kinematics (TTIK) method, and these new data, together with older high–energy-resolution measurements, were analyzed within the R-matrix framework. The nuclear structure of 19 F was calculated using configuration-interaction methods with a recently developed effective interaction Hamiltonian. As a result, we identify a sequence of α-cluster resonances in 19 F and map the distribution of clustering strength, which is relevant for astrophysical reaction modeling and for the theoretical understanding of many-body dynamics and the emergence of clustering in loosely bound or unstable nuclei. Furthermore, the work advances theoretical insight into the origins of clustering and highlights open questions for future theoretical and experimental studies.

19F↗
DOE OSTI2019

The dynamic conformational landscape of the protein methyltransferase SETD8

Elucidating the conformational heterogeneity of proteins is essential for understanding protein function and developing exogenous ligands. With the rapid development of experimental and computational methods, it is of great interest to integrate these approaches to illuminate the conformational landscapes of target proteins. SETD8 is a protein lysine methyltransferase (PKMT), which functions in vivo via the methylation of histone and nonhistone targets. Utilizing covalent inhibitors and depleting native ligands to trap hidden conformational states, we obtained diverse X-ray structures of SETD8. These structures were used to seed distributed atomistic molecular dynamics simulations that generated a total of six milliseconds of trajectory data. Markov state models, built via an automated machine learning approach and corroborated experimentally, reveal how slow conformational motions and conformational states are relevant to catalysis. These findings provide molecular insight on enzymatic catalysis and allosteric mechanisms of a PKMT via its detailed conformational landscape.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2018

Summary of the 1st AIAA Geometry and Mesh Generation Workshop (GMGW-1) and Future Plans

The 1st AIAA Geometry and Mesh Generation Workshop (GMGW-1) was held in conjunction with the AIAA Aviation Forum and Exposition 2017 and in collaboration with the 3rd AIAA Computational Fluid Dynamics (CFD) High Lift Prediction Workshop (HiLiftPW-3). As the first AIAA workshop on these topics, GMGW-1's broad objectives were to assess the current state-of-the art in geometry preprocessing and mesh generation technology as well as software as applied to aircraft and spacecraft systems. The workshop was intended to identify and develop understanding of areas of needed improvement in terms of performance, accuracy, and applicability. It was also to provide a foundation for documenting best practices for geometry preprocessing and mesh generation. The genesis of GMGW-1 is found in the indictments levied against geometry preprocessing and mesh generation - not undeservedly - by the NASA CFD Vision 2030 Study. In order to create a reference against which future progress in geometry preprocessing and mesh generation can be measured, the organizers of GMGW-1, with the assistance of the organizers of HiLiftPW- 3, focused GMGW-1 on generation of meshes of the NASA High Lift Common Research Model (HL-CRM). Some of the generated meshes were provided for use by the participants in HiLiftPW-3. All meshes and the processes by which they were generated were analyzed by GMGW-1 as a first assessment of state of the art practices. The results of GMGW-1 added quantitative detail to known problem areas including geometry modeling, data interoperability, and amount of human intervention. They do provide a clear path toward a vision of geometry preprocessing and mesh generation in the year 2030. The next milepost along this path will be a second workshop.

Chawner, John R.↗
DOE OSTI2023

Dynamics of Water, Climate, and Infrastructure

Climate and its impacts on the natural environment, and on the ability of the natural environment to support population and the built environment, stands as a threat multiplier that impacts national and global security. The Water Intersections with Climate Systems Security (WICSS) Strategic Initiative is designed to improve understanding of water’s role in, among other topics, the connection of critical infrastructure to climate in light of competing national and global security interests (including transboundary issues and stability), and identifying research gaps aligned with Sandia, and Federal agency priorities. With this impetus in mind, the WICSS Strategic Initiative team conceptualized a causal loop diagram (CLD) of the relationship between and among climate, the natural environment, population, and the built environment, with an understanding that any such regionally focused system must have externalities that influence the system from beyond its’ control, and metrics for better understanding the consequences of the set of interactions. These are discussed in light of a series of worldviews that focus on portions of the overall systems relationship. The relationships are described and documented in detail. A set of reinforcing and balancing loops are then highlighted within the context of the model. Finally, forward-looking actions are highlighted to describe how this conceptual model can be turned into modeling to address multiple problems described under the purview of the Strategic Initiative.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Disentangling climate and policy uncertainties for the Colorado River post-2026 operations

Abstract Lakes Mead and Powell in the Colorado River Basin underpin water and hydropower supply for the western United States. While the policies currently regulating the basin will expire by 2026, planning remains challenging due to intertwined climate variability and policy uncertainties. Based on streamflow projections from 10 dynamically downscaled CMIP6 global climate models and unique methods that add and remove internal variability, we evaluate future conditions at Powell and Mead under existing and alternative policies. Due to projected streamflow declines, under existing policy, both reservoirs will face substantial risks (>80% likelihood) of reaching dead pool before 2060. Adopting recently proposed alternative policies reduces but doesn’t eliminate such risks. All policies also exhibit tipping points where reservoir levels can change rapidly with a slight change in streamflow. A sustainable policy may require larger reductions to further reduce the reservoirs’ dead pool risks and provide better buffers from sudden changes.

Science & Technology - Other Topics↗
DOE OSTI2021

Response of extreme precipitation to uniform surface warming in quasi-global aquaplanet simulations at high resolution

Projections of precipitation extremes in simulations with global climate models are very uncertain in the tropics, in part because of the use of parameterizations of deep convection and model deficiencies in simulating convective organization. Here, we analyse precipitation extremes in high-resolution simulations that are run without a convective parameterization on a quasi-global aquaplanet. The frequency distributions of precipitation rates and precipitation cluster sizes in the tropics of a control simulation are similar to the observed distributions. In response to climate warming, 3 h precipitation extremes increase at rates of up to 9 % K - 1 in the tropics because of a combination of positive thermodynamic and dynamic contributions. The dynamic contribution at different latitudes is connected to the vertical structure of warming using a moist static stability. When the precipitation rates are first averaged to a daily timescale and coarse-grained to a typical global climate-model resolution prior to calculating the precipitation extremes, the response of the precipitation extremes to warming becomes more similar to what was found previously in coarse-resolution aquaplanet studies. However, the simulations studied here do not exhibit the high rates of increase of tropical precipitation extremes found in projections with some global climate models. This article is part of a discussion meeting issue ‘Intensification of short-duration rainfall extremes and implications for flash flood risks’.

Science & Technology - Other Topics↗
NASA NTRS2021

Land-Use Harmonization Datasets for Global Carbon Budget 2019 and Beyond

Land-use change has been the dominant source of anthropogenic carbon emissions for most of the historical period, and is currently one of the largest and most uncertain components of the global carbon cycle. Advancing the scientific understanding on this topic requires that the best data be used as input to the best models in well-organized scientific assessments. The Land-Use Harmonization dataset (LUH2), previously developed and used as input for CMIP6 simulations, has been updated annually to provide required input to land models in the annual Global Carbon Budget (GCB) assessment. These annual LUH2-GCB updates and extensions have incorporated annual FAO wood harvest data updates for dataset years after 2015 and HYDE gridded agriculture area data updates (based on annual FAO agricultural area data updates) for dataset years after 2012, along with extrapolations to the current year due to a lag of one or more years in the FAO data releases. The resulting updated LUH2-GCB datasets have provided global, annual gridded land-use and land-use change data relating toagricultural expansion, deforestation, wood harvesting, shifting cultivation, regrowth and afforestation, and crop rotationsand pasture managementand are used by both book-keeping models and Dynamic Global Vegetation Models (DGVMs) for the GCB. For GCB 2019,a more significant update to LUH2 was produced (LUH2-GCB2019) to correct cropland and grazing area errors in the underlying input datasets for the globally important region of Brazil, as far back as 1950. From 1951-2012 the LUH2-GCB2019 dataset begins to diverge from the LUH2 v2hdataset, with peak differences in Brazil in the year 2000 for grazing land (difference of 100,000 km2) and in the year 2009 for cropland (difference of 77,000 km2), along with significant sub-national reorganization of agricultural land-use patterns within Brazil. These LUH2-GCB2019 corrections for Brazil provide the base for future LUH2-GCB updates including the recent LUH2-GCB2020 dataset, and present a starting point for operationalizing the creation of these datasets toreduce time-lags due to the multiple input dataset and model latencies.

L Chini↗
DOE OSTI2025

A numerically exact description of ultrafast vibrational decoherence in vibration-coupled electron transfer

Broadband pump–probe spectroscopy has been widely used to measure vibrational decoherence associated with the reaction coordinate in photoinduced ultrafast vibration-coupled electron transfer (VCET) reactions. These experiments provide insight into the interplay of intramolecular coordinates along the reaction coordinate. However, a general theoretical foundation for analyzing, and even for explaining rigorously, these data is lacking. In this work, we study vibrational decoherence in a model VCET reaction using the nearly exact time-dependent density matrix renormalization group simulation method. We explore how analyzing the density matrix with quantum information measures can help elucidate the evolution of vibrational coherence in simulations of dynamics. We examine how vibrational coherence is affected by electron transfer on the timescale of approximately 100 femtoseconds. Our results suggest that electron transfer, in the nonadiabatic model, changes the vibrational equilibrium position abruptly—an example of a “quantum quench” event. This explains the concomitant vibrational decoherence. We find that abrupt vibrational decoherence can be mitigated by wavepacket motion occurring on the timescale of the electron transfer.

Science & Technology - Other Topics↗
DOE OSTI2021

Pendellösung interferometry probes the neutron charge radius, lattice dynamics, and fifth forces

Setting bounds on a fifth force Some extensions to the Standard Model of particle physics posit the existence of a fifth force to complement the existing four fundamental forces. To set bounds on the strength of such an interaction, experiments on vastly different length scales have been performed. Heacock et al . used an unusual method called Pendellösung interferometry to measure the neutron structure factors of silicon. The momentum dependence of the structure factors enabled the researchers to put more stringent bounds on the strength of a type of fifth force called the Yukawa force, as well as measure the charge radius of the neutron. —JS

Science & Technology - Other Topics↗
DOE OSTI2014

Reconstituting ring-rafts in bud-mimicking topography of model membranes

During vesicular trafficking and release of enveloped viruses, the budding and fission processes dynamically remodel the donor cell membrane in a protein- or a lipid-mediated manner. In all cases, in addition to the generation or relief of the curvature stress, the buds recruit specific lipids and proteins from the donor membrane through restricted diffusion for the development of a ring-type raft domain of closed topology. Here, by reconstituting the bud topography in a model membrane, we demonstrate the preferential localization of cholesterol- and sphingomyelin-enriched microdomains in the collar band of the bud-neck interfaced with the donor membrane. The geometrical approach to the recapitulation of the dynamic membrane reorganization, resulting from the local radii of curvatures from nanometre-to-micrometre scales, offers important clues for understanding the active roles of the bud topography in the sorting and migration machinery of key signalling proteins involved in membrane budding.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Trapped-ion quantum simulation of electron transfer models with tunable dissipation

Electron transfer is at the heart of many fundamental physical, chemical, and biochemical processes essential for life. The exact simulation of these reactions is often hindered by the large number of degrees of freedom and by the essential role of quantum effects. Here, we experimentally simulate a paradigmatic model of molecular electron transfer using a multispecies trapped-ion crystal, where the donor-acceptor gap, the electronic and vibronic couplings, and the bath relaxation dynamics can all be controlled independently. By manipulating both the ground-state and optical qubits, we observe the real-time dynamics of the spin excitation, measuring the transfer rate in several regimes of adiabaticity and relaxation dynamics. Our results provide a testing ground for increasingly rich models of molecular excitation transfer processes that are relevant for molecular electronics and light-harvesting systems.

Science & Technology - Other Topics↗
NASA NTRS2016

Aerosol Complexity and Implications for Predictability and Short-Term Forecasting

There are clear NWP and climate impacts from including aerosol radiative and cloud interactions. Changes in dynamics and cloud fields affect aerosol lifecycle, plume height, long-range transport, overall forcing of the climate system, etc. Inclusion of aerosols in NWP systems has benefit to surface field biases (e.g., T2m, U10m). Including aerosol affects has impact on analysis increments and can have statistically significant impacts on, e.g., tropical cyclogenesis. Above points are made especially with respect to aerosol radiative interactions, but aerosol-cloud interaction is a bigger signal on the global system. Many of these impacts are realized even in models with relatively simple (bulk) aerosol schemes (approx.10 -20 tracers). Simple schemes though imply simple representation of aerosol absorption and importantly for aerosol-cloud interaction particle-size distribution. Even so, more complex schemes exhibit a lot of diversity between different models, with issues such as size selection both for emitted particles and for modes. Prospects for complex sectional schemes to tune modal (and even bulk) schemes toward better selection of size representation. I think this is a ripe topic for more research -Systematic documentation of benefits of no vs. climatological vs. interactive (direct and then direct+indirect) aerosols. Document aerosol impact on analysis increments, inclusion in NWP data assimilation operator -Further refinement of baseline assumptions in model design (e.g., absorption, particle size distribution). Did not get into model resolution and interplay of other physical processes with aerosols (e.g., moist physics, obviously important), chemistry

Predictability↗
DOE OSTI2017

Catastrophic disassembly of actin filaments via Mical-mediated oxidation

Actin filament assembly and disassembly are vital for cell functions. MICAL Redox enzymes are important post-translational effectors of actin that stereo-specifically oxidize actin’s M44 and M47 residues to induce cellular F-actin disassembly. Here we show that Mical-oxidized (Mox) actin can undergo extremely fast (84 subunits/s) disassembly, which depends on F-actin’s nucleotide-bound state. Using near-atomic resolution cryoEM reconstruction and single filament TIRF microscopy we identify two dynamic and structural states of Mox-actin. Modeling actin’s D-loop region based on our 3.9 Å cryoEM reconstruction suggests that oxidation by Mical reorients the side chain of M44 and induces a new intermolecular interaction of actin residue M47 (M47-O-T351). Site-directed mutagenesis reveals that this interaction promotes Mox-actin instability. Moreover, we find that Mical oxidation of actin allows for cofilin-mediated severing even in the presence of inorganic phosphate. Thus, in conjunction with cofilin, Mical oxidation of actin promotes F-actin disassembly independent of the nucleotide-bound state.

Science & Technology - Other Topics↗
DOE OSTI2021

Building Energy Codes and Grid-Interactive Efficient Buildings: How building energy codes can enable a more dynamic and energy-efficient built environment

This report considers the role of national model codes to promote grid-interactive efficient buildings (GEBs) as part of the modernization of the U.S. electricity grid. It introduces GEBs, describes their ability to support a clean, resilient grid, and considers challenges and approaches for incorporating GEB measures into national model energy codes and standards. Desirable traits of GEB include being low energy, low peaking, and responsive to grid needs, and minimizing the curtailment of renewable energy resources. In addition, the future grid incurs a time and locational value on these types of building services. Accounting for these considerations in future code development requires a continuation and expansion of code-minimum energy efficiency requirements and inclusion of demand responsive and load flexibility measures while ensuring annual use and cost reductions. Also, efforts to include GEB measures in codes will be limited until they are fully developed into an American National Standards Institute (ANSI)-approved standard. Then it would be straightforward to address GEB measures through points or packages and/or scoring requirements. Otherwise, the building code would have to describe each specific grid responsive strategy. This document reviews topics pertinent to considering codes in this context. Specifically, the study presents the status and direction of current building energy codes, the future smart grid, low-energy buildings, and grid-integrated buildings. The report concludes with recommendations for future code development activities to support low-energy, grid-interactive buildings in order to provide added value to building owners, the grid, and society.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2014

Evaluating the effect of assay preparation on the uptake of gold nanoparticles by RAW264.7 cells

Background: Cell culture conditions can greatly influence the results of nanoparticle (NP) uptake assays. In this study, 10 nm gold nanoparticles (AuNPs) and RAW 264.7 macrophages were used as a model system, while instrumental neutron activation analysis (NAA) was used as the elemental analysis technique to determine AuNP levels produced by the various culturing conditions. Static plate-based and insert-based culture conditions were compared with a dynamic suspension culture to evaluate the conditions’ effect on the rate and extent of AuNP uptake. Results: The results indicate that a dynamic culturing condition allows for the greatest NP uptake (approximately 3-5 times over the adherent conditions), whereas the plate-based assays have the initial highest rate of NP incorporation. Conclusions: These data highlight the importance of judiciously choosing the assay conditions prior to evaluating NP uptake.

59 BASIC BIOLOGICAL SCIENCES↗