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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

State selectivity in core ionization of methane

A clear experimental signature of the population of the lowest triplet state T 1 3 of the methane dication is identified in a photoionization experiment. This state is populated only in valence ionization and is absent when the dication is formed by core ionization followed by Auger-Meitner decay. For valence ionization, the total internal energy of the CH 3 + fragment, formed during the deprotonation of CH 4 2 + , is evaluated. Notably, the distribution of this internal energy peaks at the same value regardless of the initially populated electronic state of CH 4 2 + . We find that excited electronic states of CH 3 + are predominantly populated with significant rovibrational excitation. Published by the American Physical Society 2025

Rajput, J. (ORCID:0000000157752543)↗
DOE OSTI2021

Behavior of the Fused Quartz Suspended Core Acoustic Waveguide Sensor in Gamma Radiation

Previously, a fused-quartz acoustic waveguide named the suspended core waveguide with tight-field confinement in a small diameter was developed and its sensing potential in harsh environment was demonstrated with the fabricated periodic acoustic fiber Bragg grating. In this paper, the acoustic sensor was exposed to around 70 Gy/h gamma radiation at room temperature for 3550 h at Oak Ridge National Laboratory. For comparisons, a thermocouple and two optical fiber Bragg gratings were tested under the same conditions. The central frequency reading of the acoustic sensor was found to encounter a relatively fast decrease of 0.5 kHz in the first 800 hours. The reading then became stable, centering at 478.5 kHz with a fluctuation of ±0.2 kHz, and responded to small environmental temperature variations less than 1.2 °C. The major effect to the fluctuation was concluded to be radiation-induced material compaction and expansion. For optical fiber Bragg gratings, the same one-directional fast change of readings in the first 500 hours were observed as well. Although the optical gratings were able to track temperature changes, they also showed continuous drifts. The survivability and consistency of the acoustic sensor under long-term gamma radiation could lead to new sensing methods in nuclear applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Analysis of Distributed Energy Storage as a Core Grid Infrastructure via Production Cost Modeling

Energy storage plays a pivotal role in enabling power system operation with more flexibility and resilience. Unlike current practice that considers energy storages as attached ancillary devices, this paper focuses on storages as a core infrastructure by looking at their spatial distribution in the system. A sensitivity analysis based on production cost modeling is conducted to demonstrate the benefits of distributed energy storages. First, the modeling of energy storages in production cost modeling is presented. Second, potential optimal locations of distributed energy storages in a power system are discussed. Finally, multiple scenarios with various numbers and locations of additional distributed energy storages in the WECC 2030 model are created. The production cost modeling results of these scenarios show that distributed energy storages have higher utilization compared to the centralized ES units and therefore provide significantly more benefits in terms of reduction in generation cost, emission cost, and volatility of location marginal prices. A saturation effect is observed suggesting the selection of optimal locations will further improve the benefits.

Nguyen, Quan H.↗
DOE OSTI2022

Simulation for the fault current limiting operation of REBCO CORC superconducting cables with different core materials

With high power density and low loss, CORC superconducting cables composed of RE- Ba 2 Cu 3 O 7–δ (REBCO) coated conductors are of great interest for power transmission applications. They can also effectively be designed to serve as fault current limiters, thanks to their sharp superconducting-to-normal transition. Coupled electromagnetic-thermal finite element (FE) simulations implemented in COMSOL Multiphysics were developed and validated against the published results for the fault current limiting performance of two CORC cables of REBCO coasted conductors wound on either copper or stainless steel cores. For improved accuracy, temperature dependencies of electrical and thermal properties of all component materials were considered in the simulations. The simulations were performed in the cross-sections of the cables for every individual layer of each REBCO tape to deliver comprehensive understanding of evolution of the current distribution and temperature rise in those layers. Furthermore, the studies can suggest approaches to optimize cable design for fault current limiting (FCL) applications by assessing the role of individual components. In the paper, possible computational errors, challenges and improvements are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Flux Balancing Control of Ungapped Nanocrystalline Core-Based Transformer in Dual Active Bridge Converters

Transformer flux dc bias is a critical issue, impacting the reliable operation of dual active bridge (DAB) converters especially when ungapped high permeability nanocrystalline core is used. Steady state current dc bias can easily saturate ungapped nanocrystalline transformers, and it is even more dangerous in transient conditions. A dc bias model is proposed to analyze steady state dc bias in different load conditions. The magnetizing current detection is necessary for closed-loop control of dc bias; conductors' position is shown to impact sensor noise, and it is analyzed in detail. To deal with both steady state and transient dc bias, a unified flux balancing control (UFBC) is proposed introducing a predictive bias suppression (PBS) method with closed-loop flux balancing control (CFBC). With the proposed PBS, both primary/secondary current balance and flux balance can be achieved within one switching cycle using UFBC. Power characteristics and interaction between power control and flux balancing control of DAB converters are analyzed, and the CFBC needs to work in a low bandwidth due to sensor bandwidth limitation and interaction between power control and flux balancing control. Lastly, the UFBC is verified on a 300-kW cascaded DAB converter prototype.

42 ENGINEERING↗
DOE OSTI2024

Attribute-Aware RBFs: Interactive Visualization of Time Series Particle Volumes Using RT Core Range Queries

Smoothed-particle hydrodynamics (SPH) is a mesh-free method used to simulate volumetric media in fluids, astrophysics, and solid mechanics. Visualizing these simulations is problematic because these datasets often contain millions, if not billions of particles carrying physical attributes and moving over time. Radial basis functions (RBFs) are used to model particles, and overlapping particles are interpolated to reconstruct a high-quality volumetric field; however, this interpolation process is expensive and makes interactive visualization difficult. Existing RBF interpolation schemes do not account for color-mapped attributes and are instead constrained to visualizing just the density field. To address these challenges, we exploit ray tracing cores in modern GPU architectures to accelerate scalar field reconstruction. We use a novel RBF interpolation scheme to integrate per-particle colors and densities, and leverage GPU-parallel tree construction and refitting to quickly update the tree as the simulation animates over time or when the user manipulates particle radii. We also propose a Hilbert reordering scheme to cluster particles together at the leaves of the tree to reduce tree memory consumption. Finally, we reduce the noise of volumetric shadows by adopting a spatially temporal blue noise sampling scheme. Our method can provide a more detailed and interactive view of these large, volumetric, time-series particle datasets than traditional methods, leading to new insights into these physics simulations.

Particle Volumes↗
DOE OSTI2024

FunM2C: A Filter for Uncertainty Visualization of Multivariate Data on Multi-Core Devices

Uncertainty visualization is an emerging research topic in data visualization because neglecting uncertainty in visualization can lead to inaccurate assessments. In this paper, we study the propagation of multivariate data uncertainty in visualization. Although there have been a few advancements in probabilistic uncertainty visualization of multivariate data, three critical challenges remain to be addressed. First, the state-of-the-art probabilistic uncertainty visualization framework is limited to bivariate data (two variables). Second, existing uncertainty visualization algorithms use computationally intensive techniques and lack support for cross-platform portability. Third, as a consequence of the computational expense, integration into production visualization tools is impractical. In this work, we address all three issues and make a threefold contribution. First, we take a step to generalize the state-of-the-art probabilistic framework for bivariate data to multivariate data with an arbitrary number of variables. Second, through utilization of VTK-m’s shared-memory parallelism and cross-platform compatibility features, we demonstrate acceleration of multivariate uncertainty visualization on different many-core architectures, including OpenMP and AMD GPUs. Third, we demonstrate the integration of our algorithms with the ParaView software. We demonstrate the utility of our algorithms through experiments on multivariate simulation data with three and four variables.

Hari, Gautam↗
DOE OSTI2025

Hidden Allies: Decoding the Core Endohyphal Bacteriome of Aspergillus fumigatus

ABSTRACT Bacterial–fungal interactions that influence the behaviour of one or both organisms are common in nature. Well‐studied systems include endosymbiotic relationships that range from transient to long‐term associations. Diverse endohyphal bacteria associate with fungal hosts, emphasising the need to better comprehend the fungal bacteriome. We evaluated the hypothesis thatAspergillus fumigatusharbours an endohyphal community of bacteria that influence the host phenotype. We analysed whether 38A. fumigatusstrains show stable association with diverse endohyphal bacteria; all derived from single‐conidium cultures that were subjected to antibiotic and heat treatments. The fungal bacteriome, inferred through analysis of bacterial diversity within the fungal strains (short‐ and long‐ read sequencing methods), revealed the presence of core endohyphal bacterial genera. Microscopic analysis further confirmed the presence of endohyphal bacteria. The fungal strains exhibited high genetic diversity and phenotypic heterogeneity in drug susceptibility and in vivo virulence. No correlations were observed between genomic or functional traits and bacteriome diversity, but the abundance of some bacterial genera correlated with fungal virulence or posaconazole susceptibility. The observed endobacteriome may play functional roles, for example, nitrogen fixation. Our study emphasises the existence of complex interactions between fungi and endohyphal bacteria, possibly impacting the phenotype of the fungal host, including virulence.

Environmental Sciences & Ecology↗
DOE OSTI2022

Design of a Compact Dry Cooler With an Aluminum Heat Exchanger Core for a Supercritical CO2 Power Cycle Is Evaluated for a Concentrating Solar Power Application

Abstract As the supercritical CO2 power cycle develops and the component technologies mature, there is still a need to reduce the associated capital and operating costs to maintain a competitive levelized cost of electricity (LCOE) in order to enter the market. When considering concentrating solar power (CSP) coupled with an sCO2 power block and sensible thermal storage, the technology presents a clean source for utility-scale power generation to support baseload or peak-load electrical demand. However, the LCOE of the technology is still considered higher than the competing technologies and should be reduced to better compete in the market; 2030 targets for dispatchable solar plants are 5¢/kWh for baseload CSP and 10¢/kWh for peaker plants, as set by the United States Department of Energy. In response to this need, this study is targeting improvements in the power cycle precooler to reduce power block contribution to LCOE. This study considers a dry cooler, as CSP plants are sensitive to water consumption because many installations are slated for remote or arid locations where solar irradiance is very high, but water is scarce. Furthermore, the power block footprint for an sCO2 system is quite compact, especially as compared to a steam cycle. Therefore, there is interest in installing a more compact dry cooler that is proportional to the reduced footprint sCO2 power block, while conventional dry coolers are an order of magnitude larger. The competing goals of size, performance, and cost were considered in this study to develop a compact dry cooler that can easily be packaged with the power block, significantly reducing the installation and transport cost compared to the current state of the art, while maintaining or improving upon the heat transfer performance and impact on plant LCOE. This paper details the high-level findings of a large dry cooler sensitivity study for design point selection, design of the compact dry cooler, expected year-round performance for the dry cooler and the power cycle, and the predicted LCOE for a 30-year plant life. It was found that an aluminum heat exchanger core can be suitably designed to meet the pressure and temperature requirements for a precooler in an sCO2 recompression Brayton cycle. The dry cooler assembly was found to have improved heat transfer performance, allowing for increased cycle efficiencies and a reduced plant LCOE. When coupled with a centrifugal blower and compact transition duct, the dry cooler assembly was able to reduce the installation footprint by over 50%.

14 SOLAR ENERGY↗
DOE OSTI2025

Revisiting the assignment of atomic charges in metal oxides based on core-level x-ray photoelectron spectra: The case of Ti in SrTiO3(001)

We demonstrate that assigning formal charges to transition metal (TM) cations based on core-level (CL) x-ray photoemission binding energies in oxides leads to physically inconsistent pictures of electronic structure. O 2p–TM 3d hybridization is well known to result in significant covalency in TM–O bonds, thereby reducing TM cation charges from their fully ionic values. However, the ionic bonding model remains the working paradigm for assigning TM CL features, and the resulting cation charges are often taken to be representative of the material under study. Here, we show that a more physically meaningful way to assign charges is to extract information about charge distributions utilizing Dirac–Hartree–Fock theory to calculate CL spectra from first principles and then use the resulting wave functions to determine charges based on orbital occupancies. TM cation charges can also be determined using density functional theory and Bader population analysis. We illustrate these two methods using the Ti 2p spectrum for SrTiO3(001) and show that the agreement between them is excellent. Significantly, the resulting Ti charge is considerably lower than the formal charge. The high degree of similarity between the Ti 2p spectrum for SrTiO3 and those for the rutile and anatase polymorphs of TiO2 suggests that the charge densities surrounding Ti in the latter materials are similar to that in SrTiO3. Taking a broader perspective, oxides containing other first-row transition metals also exhibit covalent character, leading to TM cation charges lower than the analogous fully ionic values in these materials as well.

Chambers, Scott A. (ORCID:000000025415043X)↗
DOE OSTI2022

Preparing Precollege Students for the Second Quantum Revolution with Core Concepts in Quantum Information Science

After the passage of the U.S. National Quantum Initiative Act in December 2018, the National Science Foundation (NSF) and the Office of Science and Technology Policy (OSTP) recently assembled an interagency working group and conducted a workshop titled “Key Concepts for Future Quantum Information Science Learners” that focused on identifying core concepts for future curricular and educator activities to help precollege students engage with quantum information science (QIS). Helping precollege students learn these key concepts in QIS is an effective approach to introducing them to the second quantum revolution and inspiring them to become future contributors in the growing field of quantum information science and technology as leaders in areas related to quantum computing, communication, and sensing. This paper is a call to precollege educators to contemplate including QIS concepts into their existing courses at appropriate levels and get involved in the development of curricular materials suitable for their students. Also, research shows that compare-and-contrast activities can provide an effective approach to helping students learn. Therefore, we illustrate a pedagogical approach that contrasts the classical and quantum concepts so that educators can adapt them for their students in their lesson plans to help them learn the differences between key concepts in quantum and classical contexts.

Education & Educational Research↗
DOE OSTI2022

Structure of the Core Postfusion Porcine Endogenous Retrovirus Fusion Protein

Retroviral elements from endogenous retroviruses have functions in mammalian physiology. The best-known examples are the envelope proteins that function in placenta development and immune suppression. Porcine endogenous retroviruses (PERVs) are an understudied class of endogenous retroviruses that infect cultured human cells, raising concern regarding porcine xenografts. The PERV envelope glycoprotein has also been proposed as a possible swine syncytin with a role in placental development. Despite the growing interest in PERVs, their envelope glycoproteins remain poorly characterized. Here, we successfully determined the postfusion crystal structure of the PERV core fusion ectodomain. The PERV fusion protein structure reveals a conserved class I viral fusion protein six-helix bundle. Biophysical experiments demonstrated that the thermodynamic stability of the PERV fusion protein secondary structure was the same at physiological and acidic pHs. A conserved surface analysis highlights the high degree of sequence conservation among retroviral fusogens in the chain reversal region that facilitates the large-scale conformational change required for membrane fusion. Further structural alignment of class I viral fusogens revealed a phylogenetic clustering that shows evolution into various lineages that correlate with virus mechanisms of cell entry. Our work indicates that structural dendrograms can be used to qualitatively infer insights into the fusion mechanisms of newly discovered class I viral fusogen structures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Timescales of mafic magmatic fractionation documented by paleosecular variation in basaltic drill core, Snake River Plain volcanic province, Idaho, USA

Abstract The timescales over which fractional crystallization and recharge work in mafic volcano-plutonic provinces is subject to great uncertainty. Currently modeled processes are subject to the scale of measurement: monogenetic basaltic fields accumulate over hundreds of thousands of years, consistent with U-Th-Ra isotopic variations that imply 50% crystallization of basic magmas on timescales of 100,000 years or more, whereas crystal diffusion modeling implies phenocryst residence times of ~1–1000 years. Monogenetic basalts of the Snake River Plain in southern Idaho, USA, are up to 2 km thick and postdate passage over the Yellowstone–Snake River Plain hotspot. Detailed lithologic and geophysical logging of core from deep drill holes, along with chemical stratigraphy and high-resolution paleomagnetic inclination measurements, document individual eruptive units, compound lava flows, and basaltic flow groups that accumulated over 1–6 m.y. Hiatuses are commonly marked by loess or fluvial interbeds that vary from ~0.1 m thick to 20 m thick. Radiometric (40Ar-39Ar, detrital zircon U-Pb) and paleomagnetic timescale ages show that the deepest hole (Kimama drill hole, 1912 m total depth) accumulated over ~6 m.y. Cycles of fractional crystallization and recharge are recognized in the chemical stratigraphy as up-section shifts in major and trace elements; these fractionation cycles commonly represent 40%–50% fractionation. Individual fractionation cycles may comprise 20–40 eruptive units (8–17 lava flows) with little to no change in paleomagnetic inclination (0°–1°), whereas adjacent cycles may differ by several degrees from one another or reflect changes in polarity. Rates of paleosecular variation in Holocene lavas and sediments dated using 14C document significant shifts in magnetic inclination over short timescales, ranging from ~0.05° to 2°/decade, with an average of ~0.5°/decade and a minimum rate of 0.05°/decade. This implies that fractionation cycles with ≤1° variation in magnetic inclination formed on timescales of a few decades up to a few centuries (20–200 years). Thus, the lavas collectively represent only a few thousand years of eruptive activity, with major flow groups separated in time by tens to hundreds of thousands of years. We suggest that the rates defined by paleosecular variation capture the timescales of magmatic chamber evolution (fractionation/recharge) in the seismically imaged mid-crustal sill complex; in contrast, we suggest that crystal diffusion modeling captures the residence times in shallow subvolcanic magmatic chambers that underlie individual monogenetic volcanoes.

Geology↗
DOE OSTI2021

Multiscale Machine-Learned Modeling Infrastructure Core

MuMMI Core is the central component of the Multiscale Machine-Learned Modeling Infrastructure (MuMMI), a scalable and generalizable framework that couples pairs of models using machine learning and in situ feedback across three scales of resolution.

Bhatia, Harsh↗
DOE OSTI2026

Geophysical Monitoring Program Core Seismic Libraries

The Geophysical Monitoring Program Core Seismic Libraries contain a broad array of seismic and waveform analysis libraries useful for a wide range of seismic analysis processes. These include signal processing, travel time calculation, waveform correlation, array processing, geometry and geodesy, and plotting libraries.

Barno, JustinG [Lawrence Livermore National Labora↗
DOE OSTI2026

Scientific Core Library Stack (SCLS) v2026

SCLS (Scientific Core Library Stack) is an opinionated build and packaging system for scientific computing libraries developed at Lawrence Berkeley National Laboratory. It produces a coherent, reproducible stack of numerical libraries — including BLAS/LAPACK, MPI, sparse direct and iterative solvers, graph partitioners, and parallel I/O libraries (e.g., PETSc, SLEPc, HDF5, NetCDF, MUMPS, OpenBLAS) — that work together without manual repair by downstream scientific software. From a single recipe-and-flavor model, SCLS produces native RPM packages for RHEL-family Linux, DEB packages for Debian/Ubuntu, direct Unix-style prefix installs for HPC and locked-down environments, and native macOS builds. Multiple build "flavors" (e.g., GCC+OpenBLAS, GCC+MKL, Intel+MKL, debug) coexist in distinct prefixes on the same host. Compared to general-purpose meta-build frameworks, SCLS is deliberately curated rather than infinitely configurable. It enforces deterministic, audit-friendly behavior: explicit build dependencies, no silent feature autodetection, a clear open-source license policy, and rpath-based runtime linkage so installs integrate cleanly with standard package-manager workflows.

Messe, Christian [Lawrence Berkeley National Labor↗
DOE OSTI2022

Indications of a Decrease in the Depth of Deep Convective Cores with Increasing Aerosol Concentration during the CACTI Campaign

Abstract An aerosol indirect effect on deep convective cores (DCCs), by which increasing aerosol concentration increases cloud-top height via enhanced latent heating and updraft velocity, has been proposed in many studies. However, the magnitude of this effect remains uncertain due to aerosol measurement limitations, modulation of the effect by meteorological conditions, and difficulties untangling meteorological and aerosol effects on DCCs. The Cloud, Aerosol, and Complex Terrain Interactions (CACTI) campaign in 2018–19 produced concentrated aerosol and cloud observations in a location with frequent DCCs, providing an opportunity to examine the proposed aerosol indirect effect on DCC depth in a rigorous and robust manner. For periods throughout the campaign with well-mixed boundary layers, we analyze relationships that exist between aerosol variables (condensation nuclei concentration > 10 nm, 0.4% cloud condensation nuclei concentration, 55–1000-nm aerosol concentration, and aerosol optical depth) and meteorological variables [level of neutral buoyancy (LNB), convective available potential energy, midlevel relative humidity, and deep-layer vertical wind shear] with the maximum radar-echo-top height and cloud-top temperature (CTT) of DCCs. Meteorological variables such as LNB and deep-layer shear are strongly correlated with DCC depth. LNB is also highly correlated with three of the aerosol variables. After accounting for meteorological correlations, increasing values of the aerosol variables [with the exception of one formulation of aerosol optical depth (AOD)] are generally correlated at a statistically significant level with a warmer CTT of DCCs. Therefore, for the study region and period considered, increasing aerosol concentration is mostly associated with a decrease in DCC depth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Sorghum bicolor Core Metabolism Model

Upregulation of triacylglycerols (TAGs) in vegetative plant tissues such as leaves has the potential to drastically increase the energy density and biomass yield of bioenergy crops. In this context, constraint-based analysis has the promise to improve metabolic engineering strategies. Here we present a core metabolism model for the C4 biomass crop Sorghum bicolor (iTJC1414) along with a minimal model for photosynthetic CO2 assimilation, sucrose and TAG biosynthesis in C3 plants. Extending iTJC1414 to a four-cell diel model we simulate C4 photosynthesis in mature leaves with the principal photo-assimilatory product being replaced by TAG produced at different levels. Independent of specific pathways and per unit carbon assimilated, energy content and biosynthetic demands in reducing equivalents are about 1.3 to 1.4 times higher for TAG than for sucrose. For plant generic pathways, ATP- and NADPH-demands per CO2 assimilated are higher by 1.3- and 1.5-fold, respectively. If the photosynthetic supply in ATP and NADPH in iTJC1414 is adjusted to be balanced for sucrose as the sole photo-assimilatory product, overproduction of TAG is predicted to cause a substantial surplus in photosynthetic ATP. This means that if TAG synthesis was the sole photo-assimilatory process, there could be an energy imbalance that might impede the process. Adjusting iTJC1414 to a photo-assimilatory rate that approximates field conditions, we predict possible daily rates of TAG accumulation, dependent on varying ratios of carbon partitioning between exported assimilates and accumulated oil droplets (TAG, oleosin) and in dependence of activation of futile cycles of TAG synthesis and degradation. We find that, based on the capacity of leaves for photosynthetic synthesis of exported assimilates, mature leaves should be able to reach a 20% level of TAG per dry weight within one month if only 5% of the photosynthetic net assimilation can be allocated into oil droplets. From this we conclude that high TAG levels should be achievable if TAG synthesis is induced only during a final phase of the plant life cycle.

Feedstock Production↗