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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

High-resolution source imaging and moment tensor estimation of acoustic emissions during brittle creep of basalt undergoing carbonation

SUMMARY As the high-frequency analogue to field-scale earthquakes, acoustic emissions (AEs) provide a valuable complement to study rock deformation mechanisms. During the load-stepping creep experiments with CO2-saturated water injection into a basaltic sample from Carbfix site in Iceland, 8791 AE events are detected by at least one of the seven piezoelectric sensors. Here, we apply a cross-correlation-based source imaging method, called geometric-mean reverse-time migration (GmRTM) to locate those AE events. Besides the attractive picking-free feature shared with other waveform-based methods (e.g. time-reversal imaging), GmRTM is advantageous in generating high-resolution source images with reduced imaging artefacts, especially for experiments with relatively sparse receivers. In general, the imaged AE locations are found to be scattered across the sample, suggesting a complicated fracture network rather than a well-defined major shear fracture plane, in agreement with X-ray computed tomography imaging results after retrieval of samples from the deformation apparatus. Clustering the events in space and time using the nearest-neighbour approach revealed a group of ‘repeaters’, which are spatially co-located over an elongated period of time and likely indicate crack, or shear band growth. Furthermore, we select 2196 AE events with high signal-to-noise-ratio (SNR) and conduct moment tensor estimation using the adjoint (backpropagated) strain tensor fields at the locations of AE sources. The resulting AE locations and focal mechanisms support our previously assertion that creep of basalt at the experimental conditions is accommodated dominantly by distributed microcracking.

58 GEOSCIENCES↗
DOE OSTI2025

Environmental and ecological signals predict food shortages for subtropical populations of Australian flying foxes, reservoirs of Hendra virus

Food availability determines where and how animals use space across a landscape and, therefore, affects the risk of encounters leading to zoonotic spillover. This relationship is evident in Australian flying foxes (Pteropus spp.; fruit bats), where acute food shortages precede clusters of Hendra virus spillovers. Using machine learning, we predicted months of food shortages from climatological and ecological covariates (1996–2022) in subtropical Australia. Overall accuracy in predicting months of low food availability on a test set from 2018 up to 2022 reached 93.33 and 92.59% based on climatological and bat-level features, respectively. Seasonality and the Oceanic El Niño Index were the most important environmental features, while the number of bats in rescue centres and their body weights were the most important bat-level features. These models support predictive signals up to nine months in advance, facilitating action to mitigate spillover risk.

Pteropus↗
DOE OSTI2020

Frustrated magnetism in the layered triangular lattice materials K 2 Co(SeO 3 ) 2 and Rb 2 Co(SeO 3 ) 2

A study of the layered triangular lattice materials K 2 Co(SeO 3 ) 2 and Rb 2 Co(SeO 3 ) 2 is reported here. These isostructural compounds crystallize in the trigonal space group R-3m (No. 166). The magnetic Co 2+ ions form a spin-1/2 triangular lattice and display strongly frustrated magnetism. We find no evidence in the susceptibility or heat capacity for in-plane ordering of the spins; rather the in-plane inverse susceptibility is typical of that seen for frustrated magnets. At around 10 K, a ferromagnetic component appears in the magnetic susceptibility perpendicular to the triangular planes. The heat capacity at low applied fields does not show sharp features, but in larger applied fields a sharp ferromagneticlike transition appears. Field- and direction-dependent magnetization measurements at 2 K indicate that both materials have a magnetic easy axis perpendicular to the triangular planes. The magnetic properties are sensitive to the field applied perpendicular to the triangular planes, which induces a metamagnetization transition at 0.75 T. Spin polarization develops along with the increasing out-of-plane field, resulting in a saturated ferromagnetic state at high fields. In contrast, the magnetic properties are resistant to the in-plane field. Our results suggest that these materials are embodiments of Ising spins on triangular lattices with easy-axis anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

A Generalized Nuclear Code of Accounts for Cost Estimation Standardization

This is a joint INL-EPRI study. Link to corresponding page at the Electric Power Research Institute (EPRI): https://www.epri.com/research/products/000000003002028937 Recent Advanced Reactor (AR) designs typically offer features and attributes that depart from traditional water-cooled reactors in terms of fuel forms, coolants, structural materials, size, safety margins, and other important design and operational aspects. These departures, relative to the industry experience, will likely present a challenge for potential owner-operators when evaluating one or more AR designs for commercial deployment on a like-for-like basis. This is further exacerbated with new classes of reactors gaining prominence (e.g., microreactors) and new emerging applications (e.g., floating barge reactors or space propulsion reactors). The differences in design-specific technologies are compounded by the differences in approach to cost estimation. The lack of consistency in build up toward cost estimates creates a challenge when comparing competing concepts and evaluating their associated cost drivers. The outcome of a 2019 Scoping Study conducted by the Electric Power Research Institute (EPRI) indicated the need for a cost modeling guide (CMG), which would be underpinned by a technology-neutral and inclusive Generalized Nuclear Code of Accounts (GN-COA). A code of accounts (COA) is a tool by which costs are identified in even more specific categories, providing clarity on what specific costs are included in an estimate. A parallel independent effort was meanwhile taking place at Idaho National Laboratory via funding by the Systems Analysis Integration (SA&I) campaign of the Office of Nuclear Energy under the U.S. Department of Energy (U.S. DOE-NE) to also update the COA structure to enable more flexibility and encompass a wider variety of reactor technologies. After being made aware of these synergistic efforts, the two parties decided to combine efforts and develop a joint new standard format for nuclear cost estimation that builds on previous structures. This document describes the development of this joint GN-COA and provides guidance on the implementation of the tool, which is provided as the associated GN-COA Excel document. The main attributes of this novel COA format are that all items are functionally defined (in order to be technology and application agnostic) and grouped into logical arrangements that facilitate the tabulation of costs for reactor constructions under consideration. The intent is for the GN-COA to form a standard that is endorsed by future vendors and customers.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Low-Cost Transformation of Biomass-Derived Carbon to High-Performing Nano-graphite via Low-Temperature Electrochemical Graphitization

Graphite, an essential component of energy storage devices, is traditionally synthesized via an energy-intensive thermal process (Acheson process) at ~3300 K. However, the battery performance of such graphite is abysmal under fast-charging conditions, which is deemed essential for the propulsion of electric vehicles to the next level. Herein, a low-temperature electrochemical transformation approach has been demonstrated to afford a highly crystalline nano-graphite with the capability of tuning interlayer spacing to enhance the lithium diffusion kinetics in molten salts at 850 °C. The essence of our strategy lies in the effective electrocatalytic transformation of carbon to graphite at a lower temperature that could significantly increase the energy savings, reduce the cost, shorten the synthesis time, and replace the traditional graphite synthesis. The resulting graphite exhibits high purity, crystallinity, a high degree of graphitization, and a nanoflake architecture that all ensure fast lithium diffusion kinetics (~2.0 × 10 –8 cm2 s –1 ) through its nanosheet. Such unique features enable outstanding electrochemical performance (~200 mA h g –1 at 5C for 1000 cycles, 1C = 372 mA g –1 ) as a fast-charging anode for lithium-ion batteries. Overall, this finding paves the way to make high energy-density fast-charging batteries that could boost electromobility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Holography of the photon ring

Space-based next-generation interferometers propose to measure the Lyapunov exponents of the nearly bound geodesics that comprise the photon ring surrounding the black hole M87*. We argue that these classical Lyapunov exponents equal the quantum Ruelle resonances describing the late-time approach to thermal equilibrium of the quantum microstate holographically dual to any Kerr black hole such as M87*. Moreover, we identify 'near-ring regions' in the phase space of fields propagating on Kerr that exhibit critical behavior, including emergent conformal symmetries. These are analogues for sub-extremal Kerr of the much-studied 'near-horizon regions' of (near-)extremal black holes. Here, the emergent conformal symmetries greatly constrain the observational predictions for the fine photon ring substructure around M87* and for quasinormal gravitational-wave ringdowns, as well as any proposal for a quantum holographic dual to the Kerr black hole. More generally, we hope that our identification of several universal features of Kerr spectroscopy provides a useful starting point for a bottom-up approach to holography for astrophysical black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Landau level of fragile topology

Here, we study the Hofstadter butterfly and Landau levels of the twisted bilayer graphene (TBG). We show that the nontrivial fragile topology of the lowest two bands near the charge neutral point makes their Hofstadter butterfly generically connected with higher bands, closing the gap between the first and second conduction (valence) bands at a certain magnetic flux per unit cell. We also develop a momentum space method for calculating the TBG Hofstadter butterfly, from which we identify three phases where the Hofstadter butterflies of the lowest two bands and the higher bands are connected in different ways. We show this leads to a crossing between the $\textit{ν}$ = 4 Landau fan from the charge neutral point and the zero-field band gap at one flux per moiré unit cell, which corresponds to a magnetic field 25$θ^2$ T (twist angle $\textit{θ}$ in degrees). This provides an experimentally testable feature of the fragile topology. In general, we expect it to be a generic feature that the Hofstadter butterfly of the topological bands are connected with the Hofstadter spectra of other bands. We further show the TBG band theory with Zeeman splitting being the most sizable splitting could result in Landau fans at the charge neutral point and half fillings near the magic angle, and we predict their variations under an in-plane magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation

Green's functions of fermions are described by matrix-valued Herglotz-Nevanlinna functions. Since analytic continuation is fundamentally an ill-posed problem, the causal space described by the matrix-valued Herglotz-Nevanlinna structure can be instrumental in improving the accuracy and in enhancing the robustness with respect to noise. We demonstrate a three-pronged procedure for robust analytic continuation called PES: (1) projection of data to the causal space; (2) estimation of pole locations; and (3) semidefinite relaxation within the causal space. We compare the performance of PES with the recently developed Nevanlinna and Carathéodory continuation methods and find that PES is more robust in the presence of noise and does not require the usage of extended precision arithmetics. We also demonstrate that a causal projection improves the performance of the Nevanlinna and Carathéodory methods. The PES method is generalized to bosonic response functions, for which the Nevanlinna and Carathéodory continuation methods have not yet been developed. Furthermore, it is particularly useful for studying spectra with sharp features, as they occur in the study of molecules and band structures in solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

High accuracy single-layer free-space diffractive neuromorphic classifiers for spatially incoherent light

Free-space all-optical diffractive systems have shown promise for neuromorphic classification of objects without converting light to the electronic domain. While the factors that govern these systems have been studied for coherent light, the fundamental properties for incoherent light have not been addressed, despite the importance for many applications. Here we use a co-design approach to show that optimized systems for spatially incoherent light can achieve performance on par with the best linear electronic classifiers even with a single layer containing few diffractive features. This performance is limited by the inherent linear nature of incoherent optical detection. We circumvent this limit by using a differential detection scheme that achieves greater than 94% classification accuracy on the MNIST dataset and greater than 85% classification accuracy for Fashion-MNIST, using a single layer metamaterial.

Léonard, François (ORCID:0000000249736743)↗
DOE OSTI2020

A Strategy for Constructing Pore‐Space‐Partitioned MOFs with High Uptake Capacity for C 2 Hydrocarbons and CO 2

Abstract Introduction of pore partition agents into hexagonal channels of MIL‐88 type (acs topology) endows materials with high tunability in gas sorption. Here, we report a strategy to partition acs framework into pacs (partitioned acs) crystalline porous materials (CPM). This strategy is based on insertion of in situ synthesized 4,4′‐dipyridylsulfide (dps) ligands. One third of open metal sites in the acs net are retained in pacs MOFs; two thirds are used for pore‐space partition. The Co 2 V‐pacs MOFs exhibit near or at record high uptake capacities for C 2 H 2 , C 2 H 4 , C 2 H 6 , and CO 2 among MOFs. The storage capacity of C 2 H 2 is 234 cm 3 g −1 (298 K) and 330 cm 3 g −1 (273 K) at 1 atm for CPM‐733‐dps (the Co 2 V‐BDC form, BDC=1,4‐benzenedicarboxylate). These high uptake capacities are accomplished with low heat of adsorption, a feature desirable for low‐energy‐cost adsorbent regeneration. CPM‐733‐dps is stable and shows no loss of C 2 H 2 adsorption capacity following multiple adsorption–desorption cycles.

Wang, Yong↗
DOE OSTI2025

New physics at the Muon (Synchrotron) Ion Collider: MuSIC for several scales

A Muon (Synchrotron) Ion Collider (MuSIC) can be the successor to the Electron-Ion Collider at Brookhaven National Laboratory, as well as the ideal demonstrator facility for a future multi-TeV Muon Collider. Besides its rich nuclear physics and Standard Model particle physics programs, in this work we show that the MuSIC with a TeV-scale muon beam offers also a unique opportunity to probe New Physics. In particular, the relevant searches have the potential to surpass current experimental limits and explore new regimes of the parameter space for a variety of Beyond the Standard Model scenarios including: lepton-flavor violating leptoquarks, muonphilic vector boson interactions, axion-like particles coupling to photons, and heavy sterile neutrinos. Depending on the particular case, the sensitivity of the searches in the MuSIC may span a wide range of energy scales, namely from sub-GeV particles to the few TeV New Physics mediators. Our analysis demonstrates that the MuSIC can strike a powerful chord in the search for New Physics, thanks to unique combination of features that amplify its capabilities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Inferring Stochastic Rates from Heterogeneous Snapshots of Particle Positions

Many imaging techniques for biological systems—like fixation of cells coupled with fluorescence microscopy—provide sharp spatial resolution in reporting locations of individuals at a single moment in time but also destroy the dynamics they intend to capture. In this study, these snapshot observations contain no information about individual trajectories, but still encode information about movement and demographic dynamics, especially when combined with a well-motivated biophysical model. The relationship between spatially evolving populations and single-moment representations of their collective locations is well-established with partial differential equations (PDEs) and their inverse problems. However, experimental data is commonly a set of locations whose number is insufficient to approximate a continuous-in-space PDE solution. Here, motivated by popular subcellular imaging data of gene expression, we embrace the stochastic nature of the data and investigate the mathematical foundations of parametrically inferring demographic rates from snapshots of particles undergoing birth, diffusion, and death in a nuclear or cellular domain. Toward inference, we rigorously derive a connection between individual particle paths and their presentation as a Poisson spatial process. Using this framework, we investigate the properties of the resulting inverse problem and study factors that affect quality of inference. One pervasive feature of this experimental regime is the presence of cell-to-cell heterogeneity. Rather than being a hindrance, we show that cell-to-cell geometric heterogeneity can increase the quality of inference on dynamics for certain parameter regimes. Altogether, the results serve as a basis for more detailed investigations of subcellular spatial patterns of RNA molecules and other stochastically evolving populations that can only be observed for single instants in their time evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

OCHRE: The Object-oriented, Controllable, High-resolution Residential Energy Model for Dynamic Integration Studies

Electrification and the growth of distributed energy resources (DERs), including flexible loads, are changing the energy landscape of electric distribution systems and creating new challenges and opportunities for electric utilities. Changes in demand profiles require improvements in distribution system load models, which have not historically accounted for device controllability or impacts on customer comfort. Although building modeling research has focused on these features, there is a need to incorporate them into distribution load models that include DERs and can be used to study grid-interactive buildings. In this paper, we present the Object-oriented, Controllable, High-resolution Residential Energy (OCHRE) model. OCHRE is a controllable thermal-electric residential energy model that captures building thermal dynamics, integrates grid-dependent electrical behavior, contains models for common DERs and end-use loads, and simulates at a time resolution down to 1 minute. It includes models for space heaters, air conditioners, water heaters, electric vehicles, photovoltaics, and batteries that are externally controllable and integrated in a co-simulation framework. Using a proposed zero energy ready community in Colorado, we co-simulate a distribution grid and 498 all-electric homes with a diverse set of efficiency levels and equipment properties. We show that controllable devices can reduce peak demand within a neighborhood by up to 73% during a critical peak period without sacrificing occupant comfort. We also demonstrate the importance of modeling load diversity at a high time resolution when quantifying power and voltage fluctuations across a distribution system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Local strain inhomogeneities during electrical triggering of a metal–insulator transition revealed by X-ray microscopy

Electrical triggering of a metal–insulator transition (MIT) often results in the formation of characteristic spatial patterns such as a metallic filament percolating through an insulating matrix or an insulating barrier splitting a conducting matrix. When MIT triggering is driven by electrothermal effects, the temperature of the filament or barrier can be substantially higher than the rest of the material. Using X-ray microdiffraction and dark-field X-ray microscopy, we show that electrothermal MIT triggering leads to the development of an inhomogeneous strain profile across the switching device, even when the material does not undergo a pronounced, discontinuous structural transition coinciding with the MIT. Diffraction measurements further reveal evidence of unique features associated with MIT triggering including lattice distortions, tilting, and twinning, which indicate structural nonuniformity of both low- and high-resistance regions inside the switching device. Such lattice deformations do not occur under equilibrium, zero-voltage conditions, highlighting the qualitative difference between states achieved through increasing temperature and applying voltage in nonlinear electrothermal materials. Electrically induced strain, lattice distortions, and twinning could have important contributions in the MIT triggering process and drive the material into nonequilibrium states, providing an unconventional pathway to explore the phase space in strongly correlated electronic systems.

42 ENGINEERING↗
DOE OSTI2024

Resonant inelastic x-ray scattering in the topological semimetal FeSi

The energy spectrum of topological semimetals contains protected degeneracies in reciprocal space that correspond to Weyl, Dirac, or multifold fermionic states. To exploit the unconventional properties of these states, one has to access the electronic structure of the three-dimensional bulk. In this paper, we present a joint theory-experiment study of the electronic structure of a candidate topological semimetal with resonant inelastic x-ray scattering (RIXS). We resolve the bulk electronic states of FeSi using momentum-dependent RIXS at the Fe L 3 edge. We observe a broad excitation continuum devoid of sharp features, consistent with particle-hole scattering in an underlying electronic band structure. Using density functional theory (DFT), we calculate the electronic structure of FeSi and derive a band theory formulation of RIXS in the fast collision approximation to model the scattering process with zero adjustable parameters. While band theory predicts an excitation continuum with broad spectral features similar to the observed ones, discrepancies between theory and experiment suggest the presence of low-energy processes that DFT alone does not account for. Further, this study of RIXS in a topological semimetal shows that RIXS is a useful tool for revealing unanticipated behavior of bulk electronic states in this class of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Processing Aleatory and Epistemic Uncertainties in Experimental Data From Sparse Replicate Tests of Stochastic Systems for Real-Space Model Validation

This paper presents a practical methodology for propagating and processing uncertainties associated with random measurement and estimation errors (that vary from test-to-test) and systematic measurement and estimation errors (uncertain but similar from test-to-test) in inputs and outputs of replicate tests to characterize response variability of stochastically varying test units. Also treated are test condition control variability from test-to-test and sampling uncertainty due to limited numbers of replicate tests. These aleatory variabilities and epistemic uncertainties result in uncertainty on computed statistics of output response quantities. The methodology was developed in the context of processing experimental data for “real-space” (RS) model validation comparisons against model-predicted statistics and uncertainty thereof. The methodology is flexible and sufficient for many types of experimental and data uncertainty, offering the most extensive data uncertainty quantification (UQ) treatment of any model validation method the authors are aware of. It handles both interval and probabilistic uncertainty descriptions and can be performed with relatively little computational cost through use of simple and effective dimension- and order-adaptive polynomial response surfaces in a Monte Carlo (MC) uncertainty propagation approach. A key feature of the progressively upgraded response surfaces is that they enable estimation of propagation error contributed by the surrogate model. Sensitivity analysis of the relative contributions of the various uncertainty sources to the total uncertainty of statistical estimates is also presented. Finally, the methodologies are demonstrated on real experimental validation data involving all the mentioned sources and types of error and uncertainty in five replicate tests of pressure vessels heated and pressurized to failure. Simple spreadsheet procedures are used for all processing operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Composition and in situ structure of the Methanospirillum hungatei cell envelope and surface layer

Archaea share genomic similarities with Eukarya and cellular architectural similarities with Bacteria, though archaeal and bacterial surface layers (S-layers) differ. Using cellular cryo–electron tomography, we visualized the S-layer lattice surroundingMethanospirillum hungatei, a methanogenic archaeon. Though more compact than known structures,M. hungatei’s S-layer is a flexible hexagonal lattice of dome-shaped tiles, uniformly spaced from both the overlying cell sheath and the underlying cell membrane. Subtomogram averaging resolved the S-layer hexamer tile at 6.4-angstrom resolution. By fitting an AlphaFold model into hexamer tiles in flat and curved conformations, we uncover intra- and intertile interactions that contribute to the S-layer’s cylindrical and flexible architecture, along with a spacer extension for cell membrane attachment.M. hungateicell’s end plug structure, likely composed of S-layer isoforms, further highlights the uniqueness of this archaeal cell. These structural features offer advantages for methane release and reflect divergent evolutionary adaptations to environmental pressures during early microbial emergence.

Science & Technology - Other Topics↗