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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Recursive Gaussian Process over graphs for Integrating Multi-timescale Measurements in Low-Observable Distribution Systems

The transition to a smarter grid is empowered by enhanced sensor deployments and smart metering infrastructure in the distribution system. Measurements from these sensors and meters can be used for many applications, including distribution system state estimation (DSSE). However, these measurements are typically sampled at different rates and could be intermittent due to losses during the aggregation process. These multi timescale measurements should be reconciled in real-time to perform accurate grid monitoring. This paper tackles this problem by formulating a recursive multi-task Gaussian process (RGP-G) approach that sequentially aggregates sensor measurements. Specifically, we formulate a recursive multi-task GP with and without network connectivity information to reconcile the multi time-scale measurements in distribution systems. Here, the proposed framework is capable of aggregating the multi-time scale measurements batch-wise or in real-time. Following the aggregation of the multi time-scale measurements, the spatial states of the consistent time-series are estimated using matrix completion based DSSE approach. Simulation results on IEEE 37 and IEEE 123 bus test systems illustrate the efficiency of the proposed methods from the standpoint of both multi time-scale data aggregation and DSSE.

42 ENGINEERING↗
DOE OSTI2023

Skyrme-Hartree-Fock-Bogoliubov mass models on a 3D mesh: III. From atomic nuclei to neutron stars

Here, we present BSkG3, the latest entry in the Brussels-Skyrme-on-a-grid series of large-scale models of nuclear structure based on an energy density functional. Compared to its predecessors, the new model offers a more realistic description of nucleonic matter at the extreme densities relevant to neutron stars. This achievement is made possible by incorporating a constraint on the infinite nuclear matter properties at high densities in the parameter adjustment, ensuring in this way that the predictions of BSkG3 for the nuclear Equation of State are compatible with the observational evidence for heavy pulsars with M > 2M ⊙ . Instead of the usual phenomenological pairing terms, we also employ a more microscopically founded treatment of nucleon pairing, resulting in extrapolations to high densities that are in line with the predictions of advanced many-body methods and are hence more suited to the study of superfluidity in neutron stars. By adopting an extended form of the Skyrme functional, we are able to reconcile the description of matter at high densities and at saturation density: the new model further refines the description of atomic nuclei offered by its predecessors. A qualitative improvement is our inclusion of ground state reflection asymmetry, in addition to the spontaneous breaking of rotational, axial, and time-reversal symmetry. Quantitatively, the model offers lowered root-mean-square deviations on 2457 masses (0.631 MeV), 810 charge radii (0.0237 fm) and an unmatched accuracy with respect to 45 primary fission barriers of actinide nuclei (0.33 MeV). Reconciling the complexity of neutron stars with those of atomic nuclei establishes BSkG3 as a tool of choice for applications to nuclear structure, the nuclear equation of state and nuclear astrophysics in general.

Physics↗
DOE OSTI2020

A Conceptual Design for a Mobile Application to Support Infield Inventory Activities

This paper introduces an inventory assistant being developed at Oak Ridge National Laboratory (ORNL) that we believe will empower users to perform inventory activities at nuclear facilities more accurately, reliably, and quickly. Inventory activities at nuclear facilities are often conducted using pen and paper, which can be time-consuming, tedious, and susceptible to reading or transcription errors. The proposed inventory assistant would replace the paper-based process used by International Atomic Energy Agency (IAEA) inspectors, nuclear facility operators, or verification monitors to complete an inventory of nuclear and non-nuclear items. In general, the inventory assistant would ingest an inventory list, distribute assigned items from the inventory list to one or more mobile devices, enable inventory teams to record their observations in the field, and then enable an inventory lead to integrate and reconcile the observations to produce a final report. The assistant consists of two software components—one for the inventory teams to record observations in the field (In-Field Observations App [IFOA]) and one for the inventory lead to reconcile the inventory list with observations (Distribution, Integration, and Reconciliation Application [DIRA]). This paper introduces the overall workflow of the inventory assistant and describes the IFOA user experience in more detail. To demonstrate the concept, the authors present a use case of IAEA inspectors conducting item counting and tag checking activities of UF6 cylinders at a gas centrifuge enrichment plant with a large number of UF6 cylinders (e.g., thousands). These activities can currently require 30–40 person-days of inspection to complete. Based on experiences during an exercised performed at the IAEA by the ORNL team in 2016, we believe an inventory assistant could allow the IAEA to complete item counting and tag checking using the global identifier or the operator’s barcode in 8–10 person-days of inspection. We would expect other users (e.g., facility operators or verification monitors) to also benefit from significant time savings.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Creating Accurate Methane Emission Inventories through Data-Driven Airborne Survey Strategies: Methods and Results from the Haynesville, Anadarko, and Permian Basins

Significantly reducing methane emissions from the oil and gas sector can decrease the rate of climate change over the next two decades, buying critical time for a global energy transition. However, emissions inventories that can be used by oil and gas operators and environmental regulators to identify optimal methane emission mitigation strategies are either based on conservative emission factor methods, or are inconsistent between studies due to differences in sampling strategies or survey technologies. We developed a new approach for methane emissions survey design that yields representative basinwide methane emissions inventories by surveying a subset of total assets in a given oil and gas basin. We identify several sampling and analysis principles, including large sample sizes, balanced sampling across oil and gas production, careful survey area definition, and a unified protocol for analysis, to be vital to producing an unbiased estimate of basin-scale emissions that can be reconciled with future studies. We further present results from deploying this strategy in two oil and gas producing regions in the United States: the Haynesville Basin in Texas and Louisiana, and the Woodford Shale in the Anadarko Basin in Oklahoma. Aerial surveys were performed in 2023 using the Insight M LeakSurveyor™ technology. Preliminary results from methane emissions detected by Insight M indicate that aerially detected emissions above roughly 30 kg(CH4)/hr by themselves contribute a fractional loss rate of 1.13% of gross gas production across oil and gas operations in the Haynesville Basin, with aerially detected emissions equivalent to 2.67% of gross gas production in the Woodford Shale. We supplement these aerial estimates with modeled emissions that are below the LeakSurveyor’s survey sensitivity using a recently published inventory-based model of methane emissions, which we update for our survey areas. We then combine our aerial detections with modeled emissions to yield methane emission distributions and inventories that incorporate the full range of potential methane emissions from the smallest to the largest. These results can be used to identify the most effective methane mitigation strategies for our study areas, and can be reconciled with future methane emissions surveys that use different technologies.

Sherwin, Evan (ORCID:0000000321804297)↗
DOE OSTI2024

Enhanced Ferromagnetism in Atomically Thin Oxides Achieved by Interfacial Reconstruction

Discoveries of ferromagnetic materials with ultrathin thickness are of great importance for both fundamental science and technological applications. Transition metal oxides (TMOs) provide promising candidates in the context of next‐generation spintronics, despite the severe decay of ferromagnetism as the thickness reduces to the nanometer regime. Here, in this work, an efficient strategy to eliminate the magnetic dead layer in atomically thin oxides is presented, by using the epitaxial interface of 3 d and 5 d oxide monolayers that reconciles both strong exchange interaction and large uniaxial magnetic anisotropy. Combining multiple experimental methods, a ferromagnetic transition in an ultrathin oxide heterostructure comprised of only one La 0.2 Sr 0.8 MnO 3 monolayer sandwiched by SrIrO 3 monolayer (total thickness of three unit‐cells) is unambiguously demonstrated. Remarkably, a largely enhanced saturation magnetization (2 µ B Mn −1 ) and Curie temperature (80 K) are observed for the single manganite monolayer, as compared to previously reported ferromagnetic monolayer oxides. The results demonstrate a general strategy for creating robust ferromagnetism in ultrathin TMOs, potentially enabling novel oxide spin‐orbitronic devices.

2D ferromagnetism↗
DOE OSTI2026

Electrode and Microstructure Dependence of Oxygen Diffusion in Ferroelectric Hafnium Zirconium Oxide Thin Films

Hafnia-based ferroelectrics hold promise to reduce energy demand for computing by enabling compute-in-memory and as non-volatile memories. The ferroelectric phase in this material system is, in part, stabilized by oxygen vacancies. While oxygen vacancies may be a necessity for phase stability, they limit device endurance through diffusion and accumulation into conducting channels. Herein, it is shown that oxygen diffusion is spatially variable within individual grains of ferroelectric hafnium zirconium oxide (HZO). Using 18 O tracers and finite difference modeling, it is shown that grain boundaries and regions near electrode interfaces allow for relatively rapid oxygen diffusion, with values as much as 10 4 larger than the grain cores. Further, the selection of electrode material affects the diffusion coefficients across all microstructural regions. HZO films in contact with TiN electrodes result in more oxygen-deficient HZO films and higher oxygen diffusion coefficients. Tungsten electrodes result in fewer vacancies and lower diffusion coefficients. Diffusion activation energy differences between the HZO with the two electrodes is reconciled by differing populations of charged and uncharged oxygen vacancies. This insight into the local vacancy populations and diffusion pathways provides a platform for designing hafnia-based films, deposition processes, and integration strategies to reduce vacancy gradients and improve performance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mesoscale Magnetostructural Phase Separation in Fe‐deficient Fe 5 GeTe 2

Two-dimensional van der Waals ferromagnet Fe 5-x GeTe 2 (F5GT) is promising for spintronic applications due to its high Curie temperature, layered structure, and ability to host complex magnetic textures. However, the origin of its sample-dependent magnetic anisotropy remains unclear, hindering control of its magnetic behavior. Here, we use spatially resolved cryogenic scanning transmission electron microscopy (STEM) to correlatively map magnetism, lattice structure, and chemistry across atomic-to-micron scales. We reveal that only mesoscale, not nanoscale, inclusions of a Fe-deficient secondary phase significantly modify magnetic behavior, establishing a previously unrecognized critical length scale. This phase separation, induced by quenching, leads to in-plane magnetic anisotropy, while slow cooling confines separation to a few nanometers and preserves out-of-plane anisotropy. These findings reconcile prior inconsistencies and establish a predictive framework for tuning magnetism in F5GT through thermal processing, with broader implications for controlling anisotropy in other two-dimensional magnetic materials.

2D ferromagnets↗
DOE OSTI2023

Measuring the Exciton Binding Energy: Learning from a Decade of Measurements on Halide Perovskites and Transition Metal Dichalcogenides

The exciton binding energy ( E b ) is a key parameter that governs the physics of many optoelectronic devices. At their best, trustworthy and precise measurements of E b challenge theoreticians to refine models, are a driving force in advancing the understanding of a material system, and lead to efficient device design. At their worst, inaccurate E b measurements lead theoreticians astray, sow confusion within the research community, and hinder device improvements by leading to poor designs. Here, this review article seeks to highlight the pros and cons of different measurement techniques used to determine E b , namely, temperature‐dependent photoluminescence, resolving Rydberg states, electroabsorption, magnetoabsorption, scanning tunneling spectroscopy, and fitting the optical absorption. Due to numerous conflicting E b values reported for halide perovskites (HP) and transition metal dichalcogenides (TMDC) monolayers, an emphasis is placed on highlighting these measurements in an attempt to reconcile the variance between different measurement techniques. It is argued that the experiments with the clearest indicators are in agreement on the following values: ≈350–450 meV for TMDC monolayers between SiO 2 and vacuum, ≈150–200 meV for hBN‐encapsulated TMDC monolayers, ≈200–300 meV for common lead‐iodide 2D HPs, and ≈10 meV for methylammonium lead iodide.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Excitonic Anisotropy in Single‐Crystalline 2D Silver Phenylchalcogenides

2D materials exhibiting in‐plane anisotropy enable new applications in directional energy transport and polarized optical response. Silver phenylchalcogenides (AgEPh) – including mithrene (AgSePh), tethrene (AgTePh), and thiorene (AgSPh) – represent an exciting new addition to this family, with optical response spanning the visible to near‐UV. Here, excitonic anisotropy is predicted and characterized in this family of materials using a combination of ab initio theory and optical micro‐spectroscopy of single‐crystalline flakes. Using density functional theory and GW with the Bethe–Salpeter equation calculations, it is revealed that all AgEPh compounds exhibit anisotropic electronic band structure and host multiple delocalized excitons with in‐plane anisotropy. Room‐temperature polarization‐resolved optical micro‐spectroscopy shows that orthogonally polarized excitons with similar energy lead to nearly isotropic absorption in AgSPh, whereas energy separation between excitonic resonances in AgSePh and AgTePh leads to strong absorption and emission anisotropy. Cryogenic reflectance micro‐spectroscopy further reveals exciton fine structure in AgSePh, reconciling the discrepancies between room‐temperature experiments and theoretical predictions. Finally, it is demonstrated that the optical response of thicker AgEPh crystals is influenced by photonic effects arising from finite crystal size. Overall, this work advances the understanding of the relationship between anisotropic structure, composition, and excitonic properties in AgEPh, providing a foundation for technological integration.

2D↗
DOE OSTI2021

Local pressure for inhomogeneous fluids

In this report definitions for a local pressure in an inhomogeneous fluid are considered for both equilibrium and local equilibrium states. Thermodynamic and mechanical (hydrodynamic) contexts are reconciled. Remaining problems and uncertainties are discussed.

42 ENGINEERING↗
DOE OSTI2020

Past and present disturbances generate spatial variation in seed predation

Seed survival is a key process for plant populations; variation in the activity and abundance of animals that consume seeds can lead to dramatic shifts in seed fate. Because granivores may respond to contemporary disturbance as well as to enduring changes in habitats caused by past disturbances, understanding seed fate requires studies capable of evaluating how past and present disturbances modify granivore communities, foraging activity, and ultimately, seed predation. Historic agricultural land use and contemporary canopy harvesting are widespread disturbances that could generate large-scale patterns of seed fate by modifying environmental characteristics that determine granivore identity and behavior. Here, to evaluate whether land-use history and canopy harvesting affect seed–animal interactions, we conducted an experiment distributed across 80,000 ha of longleaf pine woodlands that coupled large-scale canopy harvesting at seven 4-ha sites containing both post-agricultural land use and nonagricultural land use in South Carolina, United States. We deployed a total of 28,000 nail-tagged seeds and recovered the tags to quantify seed fate. Past agricultural land use and contemporary canopy harvesting interacted to affect the rate of seed predation. Seed predation rates in harvested sites depended on land-use history: Seed predation was 30% lower in post-agricultural plots than in nonagricultural plots. This interaction was driven by the differential effect of land-use history and canopy harvesting on rodent activity. Camera traps revealed that Sigmodon hispidus only foraged in harvested plots and was most active in nonagricultural plots. In harvested plots, seed removal increased with S. hispidus activity. In unharvested plots, seed removal increased with Sciurus niger activity, but S. niger was not affected by land-use history. In finding that land-use history and canopy harvesting determine the outcomes of seed–animal interactions, we show that understanding patterns of seed predation is contingent upon the interplay of disturbances in both the distant past and recent past. These results suggest that patterns of past land use and present land use may help reconcile the considerable variation in seed fate observed in ecological communities.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

The Zooplankton International Geospatial dataset: A global repository of spatiotemporal freshwater zooplankton community composition data from lakes and reservoirs to support ecological research

Zooplankton transfer substantial energy in aquatic food webs and are used as indicators of environmental change. Syntheses of zooplankton community dynamics globally require datasets that span a wide range of environmental gradients; however, these datasets are limited due to methodological differences across programs, taxonomic inconsistencies, and a lack of standardized metadata. To reconcile these challenges, we created the Zooplankton International Geospatial (ZIG) dataset, which includes original zooplankton, water physical and chemical variables, and lake morphometric data from 311 inland lakes and reservoirs. ZIG includes waterbodies ranging in size from 0.005 to 82,100 km2 and spanning broad latitudinal (−47.26 to 64.90) and longitudinal ranges (−165.04 to 176.53). Temporal coverage for individual waterbodies ranges between 1 and 60 yr with sampling frequency ranging from annually to weekly. With its extensive coverage and content, we consider ZIG to be a cornerstone for future investigations of global scale lake biodiversity change.

Figary, Stephanie [Cornell University, Ithaca, NY]↗
DOE OSTI2021

Manifestly causal in-in perturbation theory about the interacting vacuum

In-In perturbation theory is a vital tool for cosmology and nonequilibrium physics. Here, we reconcile an apparent conflict between two of its important aspects with particular relevance to De Sitter/inflationary contexts: (i) the need to slightly deform unitary time evolution with an iϵ prescription that projects the free (“Bunch-Davies”) vacuum onto the interacting vacuum and renders vertex integrals well-defined, and (ii) Weinberg’s “nested commutator” reformulation of in-in perturbation theory which makes manifest the constraints of causality within expectation values of local operators, assuming exact unitarity. We show that a modified iϵ prescription maintains the exact unitarity on which the derivation of (ii) rests, while nontrivially agreeing with (i) to all orders of perturbation theory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Sleptonic SUSY: from UV framework to IR phenomenology

We study an attractive scenario, “Sleptonic SUSY”, which reconciles the 125 GeV Higgs scalar and the non-observation of superpartners thus far with potentially pivotal roles for slepton phenomenology: providing viable ongoing targets for LHC discovery, incorporating a co-annihilation partner for detectable thermal relic dark matter, and capable of mediating the potential muon g – 2 anomaly. This is accomplished by a modestly hierarchical spectrum, with sub-TeV sleptons and electroweakinos and with multi-TeV masses for the other new states. We study new elements in the UV MSSM realization of Sleptonic SUSY based on higher-dimensional sequestering and the synergy between the resulting gaugino-mediation, hypercharge D-term mediation and Higgs-mediation of SUSY-breaking, so as to more fully capture the range of possibilities. This framework stands out by harmoniously solving the flavor, CP and μ – Bμ problems of the supersymmetric paradigm. We discuss its extension to orbifold GUTs, including gauge-coupling and b-tau unification. We also develop a non-minimal model with extra Higgs fields, in which the electroweak vacuum is more readily cosmologically stable against decay to a charge-breaking vacuum, allowing a broader range of sleptonic spectra than in the MSSM alone. We survey the rich set of signals possible at the LHC and future colliders, covering both R-parity conservation and violation, as well as for dark matter detection. While the multi-TeV squarks imply a Little Hierarchy Problem, intriguingly, small changes in parameter space to improve naturalness result in dramatic phase transitions to either electroweak-preservation or charge-breaking. In a Multiverse setting, the modest unnaturalness may then be explained by the “principle of living dangerously”.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

The role of charm and unflavored mesons in prompt atmospheric lepton fluxes

The all-sky very-high-energy (10 4 − 10 6 GeV) atmospheric muon flux measured by IceCube shows a spectral hardening at the highest energies, indicating the presence of a prompt component. IceCube has also measured the atmospheric muon neutrino flux at high energy. However, since this flux is dominated by astrophysical neutrinos, only an upper bound can be placed on the prompt atmospheric ν μ + $\overline{ν}$ μ contribution. In this work, we provide a new evaluation of the prompt atmospheric muon flux including an intrinsic charm component in the cosmic ray-air interactions. The latter enhances the forward production of $\overline{D}$ 0 , D – and Λc, which subsequently decay into final states containing muons and muon neutrinos. We show how the increase in the prompt muon flux due to intrinsic charm is accompanied by a corresponding enhancement in the prompt muon neutrino flux. We implement different intrinsic charm production models in MCEq to calculate the resulting lepton fluxes. We discuss the challenges of achieving predictions that are simultaneously consistent with both IceCube’s high-energy atmospheric muon flux measurements and IceCube upper bounds on the prompt muon neutrino flux, and we quantify the resulting discrepancies. As possible solutions, we explore scaling of the unflavored meson contributions to the prompt atmospheric muon flux to assess how such adjustments can reconcile these differences. The tensions emphasized in our work call for a refinement of the hadronic interaction models, especially the production of unflavored mesons, and for new experimental data sensitive to unflavored meson and heavy flavor production with reliable estimates of the associated uncertainties. We suggest that the energy and zenith angle dependence of muon and neutrino flux ratios from future neutrino telescope measurements may help to disentangle different scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Ab initio approaches to high-entropy alloys: a comparison of CPA, SQS, and supercell methods

In this work, we present a comparative study of different modeling approaches to the electronic properties of the Hf 0.05 Nb 0.05 Ta 0.8 Ti 0.05 Zr 0.05 high-entropy alloy. Common to our modeling is the methodology to compute the one-particle Green’s function in the framework of density functional theory. We demonstrate that the special quasi-random structures modeling and the supercell, i.e., the locally self-consistent multiple-scattering methods, provide very similar results for the ground state properties such as the spectral function (density of states) and the equilibrium lattice parameter. To reconcile the multiple-scattering single-site coherent potential approximation with the real space supercell methods, we included the effect of screening of the net charges of the alloy components. Based on the analysis of the total energy and spectral functions computed within the density functional theory, we found no signature for the long-range or local magnetic moments formation in the Hf 0.05 Nb 0.05 Ta 0.8 Ti 0.05 Zr 0.05 high-entropy alloy; instead, we find possible superconductivity below ~9K.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simultaneous Optimization of Crystal Plasticity Hardening Parameters

Crystal plasticity models relate macroscopic deformation behavior to the evolution of slip systems strength, but their parameterization is often non-unique, with multiple parameter sets being able to describe the same macroscopic behavior. To address this issue, the present work adopts a Bayesian optimization framework for the parameterization of face-centered cubic plasticity models while simultaneously considering multiple experimental datasets from the literature. For single crystal Cu, parameter optimization was guided by the tensile stress–strain curves along several crystallographic orientations, with an adequate fit being found for five orientations at once. While additional parameters allowed for the consideration of more physical mechanisms, like different slip system interaction strengths or misorientations inherent to the experimental data, the extra dimensionality was found to limit the efficiency of the global minimization procedure. For polycrystalline Ni, multiple grain sizes were considered together in a representative polycrystalline model, with the optimization able to reconcile the model with the data for three grain sizes at once. As meaningful interpretation of parameters relies on the uniqueness of their values, incorporating multiple datasets into this discerning parameterization procedure enables more robust prediction and application of crystal plasticity models.

36 MATERIALS SCIENCE↗