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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

High-throughput investigation of the formation of double spinels

Spinel compounds, with the general chemical formula AB 2 O 4 , are a wide class of materials, where A and B can be a variety of cations, providing this structure with a great deal of functional flexibility and giving rise to its considerable scientific interest. Recently, a spinel with the general formula ABB'O 4 has been predicted, increasing the possible usability of the spinels due to the higher cation diversity in the so-called double spinel structure. In this study, we use density functional theory calculations to predict if double spinels can be formed between experimentally synthesized normal and inverse single spinels. Our computations reveal that 49 double spinels have negative mixing enthalpies and are thus thermodynamically stable, with most of the stable compounds being formed from one of two distinct cation orderings. We show that the 17 different cations that form the different double spinels have a preferred site, tetrahedral or octahedral, except for Mn, Fe and Co which can occupy both sites interchangeably. We also study the relation between mixing enthalpies and cation-specific properties, as well as ways to classify the double spinels into distinct types and spinel groups depending on the cation ordering and cation oxidation states, respectively. Furthermore, by applying the Sure Independence Screening and Sparsifying Operator (SISSO) approach on the coordination-dependent ionic radii of the elemental constituents, we show that an interplay of local strain and electrostatic dominated terms can be used to separate the double spinels into distinct structural types depending on the cation order and their oxidation states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Transport phase diagram and anomalous metallicity in superconducting infinite-layer nickelates

Despite obvious similarities in their electronic and crystallographic structures, it remains unclear whether the interactions that shape the normal and superconducting (SC) state properties of high-T c cuprates and infinite-layer nickelates (ILNs) have the same origin. This question has been brought into sharper focus with recent studies on ILNs of improved crystallinity that reveal a SC dome of comparable extent and similar transport properties above T c as the hole-doped cuprates. The evolution of these properties in the magnetic-field-induced normal state, however, has yet to be determined. Here, we examine the magnetotransport properties of new-generation Nd 1−x Sr x NiO 2 films in the T → 0 limit across the phase diagram in fields up to 54 T. This extensive study reveals that the limiting low-T form of the normal-state resistivity in ILNs exhibits non-Fermi-liquid behaviour over an extended doping range inside the SC dome, rather than at a singular quantum critical point. While there are clear differences in the charge dynamics of ILNs and cuprates, most notably in the magnetoresistance, our findings reveal that both systems exhibit anomalous metallicity characteristic of a quantum critical phase.

Hsu, Yu-Te↗
DOE OSTI2024

AmeriFlux CA-Mer Ontario - Eastern Peatland, Mer Bleue

This is the AmeriFlux version of the carbon flux data for the site CA-Mer Ontario - Eastern Peatland, Mer Bleue. Site Description - The Mer Bleue peatland is primarily a large ombrotrophic bog located in the Ottawa River Valley, 10 km east of Ottawa, Ontario, Canada (45.40º N lat., 75.50º W long.). Mean annual temperature is 6.3ºC ranging from -10.5ºC in January to 21.0ºC in July. Mean annual precipitation is 943 mm, 268 mm of which falls during the summer months (Environment Canada; climate normals). Peat began to form approximately 8500 years ago, but the bog phase began later, about 6400 years ago (Lafleur et al., 2003; Richard, pers. comm.). The peat depth now ranges from 2 m at the edge to >5 m in the middle. Beaver ponds are found at the lagg margin of the bog. The bog is dominated by plant communities comprised primarily of the ericaceous shrubs Chamaedaphne calyculata (L.) Moench, Ledum groenlandicum Oeder, and Kalmia angustifolia L. Clusters of the deciduous shrub Vaccinium myrtilloides Michx. and the tufted sedge Eriophorum vaginatum L. are fairly common across the bog. The most common tree species found in the bog are Larix laricina (Duroi) K. Koch., Betula populifolia Marshall and Picea mariana (Miller) BSP occurring less frequently. In the poor fen, located to the north of the bog proper, community composition is primarily composed of the ericaceous shrubs listed above, including higher densities of K. angustifolia and Andromeda glaucophylla Link. The primary sedge in this area is Carex oligosperma Michx. All sites are dominated by an under story of bryophytes, mainly Sphagnum magellanicum Brid., Sphagnum capillifolium (Ehrh.) Hedw., and Polytrichum strictum Brid. in the bog, with Sphagnum papillosum Lindb., and Sphagnum fallax (Klinggr.) Klinggr. common in the wetter portions of the poor fen

Humphreys, Elyn↗
DOE OSTI2025

AmeriFlux FLUXNET-1F CA-Mer Ontario - Eastern Peatland, Mer Bleue

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site CA-Mer Ontario - Eastern Peatland, Mer Bleue. This is the FLUXNET version of the carbon flux data for the site CA-Mer Ontario - Eastern Peatland, Mer Bleue produced by applying the standard ONEFlux (1F) software. Site Description - The Mer Bleue peatland is primarily a large ombrotrophic bog located in the Ottawa River Valley, 10 km east of Ottawa, Ontario, Canada (45.40º N lat., 75.50º W long.). Mean annual temperature is 6.3ºC ranging from -10.5ºC in January to 21.0ºC in July. Mean annual precipitation is 943 mm, 268 mm of which falls during the summer months (Environment Canada; climate normals). Peat began to form approximately 8500 years ago, but the bog phase began later, about 6400 years ago (Lafleur et al., 2003; Richard, pers. comm.). The peat depth now ranges from 2 m at the edge to >5 m in the middle. Beaver ponds are found at the lagg margin of the bog. The bog is dominated by plant communities comprised primarily of the ericaceous shrubs Chamaedaphne calyculata (L.) Moench, Ledum groenlandicum Oeder, and Kalmia angustifolia L. Clusters of the deciduous shrub Vaccinium myrtilloides Michx. and the tufted sedge Eriophorum vaginatum L. are fairly common across the bog. The most common tree species found in the bog are Larix laricina (Duroi) K. Koch., Betula populifolia Marshall and Picea mariana (Miller) BSP occurring less frequently. In the poor fen, located to the north of the bog proper, community composition is primarily composed of the ericaceous shrubs listed above, including higher densities of K. angustifolia and Andromeda glaucophylla Link. The primary sedge in this area is Carex oligosperma Michx. All sites are dominated by an under story of bryophytes, mainly Sphagnum magellanicum Brid., Sphagnum capillifolium (Ehrh.) Hedw., and Polytrichum strictum Brid. in the bog, with Sphagnum papillosum Lindb., and Sphagnum fallax (Klinggr.) Klinggr. common in the wetter portions of the poor fen

Humphreys, Elyn [Carleton University]↗
DOE OSTI2026

Grid Forming and Following Background, Future, and Strategies

The landscape of the U.S. power structure with respect to microgrid configuration strategies that utilize grid forming and grid following converters is becoming relevant. Inverter based control and coordination strategies are every changing due to critical failures and limitations. Understanding current state of grid forming and following converter technology and their normal operational guidelines will lead into the next stage of future research. Grid forming and following converter control strategies and ratio of assets review two case studies to develop an understanding of the current landscape.

29 - ENERGY PLANNING, POLICY AND ECONOMY↗
DOE OSTI2023

Uniform-in-phase-space data selection with iterative normalizing flows

Improvements in computational and experimental capabilities are rapidly increasing the amount of scientific data that are routinely generated. In applications that are constrained by memory and computational intensity, excessively large datasets may hinder scientific discovery, making data reduction a critical component of data-driven methods. Datasets are growing in two directions: the number of data points and their dimensionality. Whereas dimension reduction typically aims at describing each data sample on lower-dimensional space, the focus here is on reducing the number of data points. A strategy is proposed to select data points such that they uniformly span the phase-space of the data. The algorithm proposed relies on estimating the probability map of the data and using it to construct an acceptance probability. An iterative method is used to accurately estimate the probability of the rare data points when only a small subset of the dataset is used to construct the probability map. Instead of binning the phase-space to estimate the probability map, its functional form is approximated with a normalizing flow. Therefore, the method naturally extends to high-dimensional datasets. The proposed framework is demonstrated as a viable pathway to enable data-efficient machine learning when abundant data are available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Correlations between thermal history and keyhole porosity in laser powder bed fusion

Additive manufacturing has the potential to revolutionize the production of metallic components as it yields near net shape parts with complex geometries and minimizes waste. At the present day, additively manufactured components face qualification and certification challenges due to the difficulty in controlling defects. This has driven a significant research effort aimed at better understanding and improving processing controls – yielding a plethora of in-situ measurements aimed at correlating defects with material quality metrics of interest. In this work, we develop machine-learning methods to learn correlations between thermal history and subsurface porosity for a variety of print conditions in laser powder bed fusion. Un-normalized surface temperatures (in the form of black-body radiances) are obtained using high-speed infrared imaging and porosity formation is observed in the sample cross-section through synchrotron x-ray imaging. To demonstrate the predictive power of these features, we present four statistical machine-learning models that correlate temperature histories to subsurface porosity formation in laser fused Ti-6Al4V powder.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A parametric model for self-interacting dark matter halos

Abstract We propose a parametric model for studying self-interacting dark matter (SIDM) halos. The model uses an analytical density profile, calibrated using a controlled N-body SIDM simulation that covers the entire gravothermal evolution, including core-forming and -collapsing phases. By normalizing the calibrated density profile, we obtain a universal description for SIDM halos at any evolution phase. The model allows us to infer properties of SIDM halos based on their cold dark matter (CDM) counterparts. As a basic application, we only require two characteristic parameters of an isolated CDM halo atz = 0. We then extend the model to incorporate effects induced by halo mass changes, such as major mergers or tidal stripping, making it applicable to both isolated halos and subhalos. The parametric model is tested and validated using cosmological zoom-in SIDM simulations available in the literature.

Astronomy & Astrophysics↗
DOE OSTI2021

Comparison of Electromagnetic Transient and Phasor-based Simulation for the Stability of Grid-Forming-Inverter-based Microgrids

The increasing interest in studying feeder-level, inverter-based microgrids requires appropriate simulation methods that can effectively simulate the dynamics of distribution feeders that typically have thousands of nodes. To examine the accuracy of phasor-based simulation for the stability of feeder-level, inverter-based microgrids, a comparative study between electromagnetic transient (EMT) and phasor-based simulation was conducted. Case studies of a two-inverter small microgrid and a modified version of the IEEE 34-Node Test System that has seven grid-forming inverters show that phasor-based simulation agrees well with EMT simulation when the P-f droop gains of grid-forming inverter controllers are within normal ranges. However, under extremely high P-f droop gains, phasor-based simulation can result in over-optimistic stability results. This study provides insight into the applicability of phasor-based simulation for the stability of feeder-level, inverter-based microgrids.

Du, Wei↗
DOE OSTI2024

Erratum: Description of the Proton-Decaying 0$^{+}_{2}$ Resonance of the 𝛼 Particle [Phys. Rev. Lett. 131 , 242502 (2023)]

As pointed out by P. Yin, H. Li, A. M. Shirokov, X. Zhao, and J. P. Vary, due to the incorrect normalization of the charge density, our definition of the monopole form factor 𝐹rel⁡(𝑞 2 ) was different from that used in other papers [1,2] by a factor of 1/𝑍. Furthermore, this resulted in the overall incorrect normalization of the monopole form factor in this Letter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Physical Yukawa couplings in heterotic string compactifications

One of the challenges of heterotic compactification on a CalabiYau threefold is to determine the physical (27) 3 Yukawa couplings of the resulting four-dimensional $\mathcal{N}$ = 1 theory. In general, the calculation necessitates knowledge of the Ricci-flat metric. However, in the standard embedding, which references the tangent bundle, we can compute normalized Yukawa couplings from the Weil-Petersson metric on the moduli space of complex structure deformations of the Calabi-Yau manifold. In various examples (the Fermat quintic, the intersection of two cubics in $\mathbb{P}$ 5 , and the TianYau manifold), we calculate the normalized Yukawa couplings for (2,1)-forms using the Weil-Petersson metric obtained from the Kodaira-Spencer map. In cases where $h^{1,1}$ = 1 , this is compared to a complementary calculation based on performing period integrals. A third expression for the normalized Yukawa couplings is obtained from a machine learned approximate Ricci-flat metric making use of explicit harmonic representatives. Finally, the excellent agreement between the different approaches opens the door to precision string phenomenology.

Butbaia, Giorgi↗
DOE OSTI2023

Birefringent waveplate and method for forming a waveplate having a birefringent metasurface

The present disclosure relates to a waveplate having a substrate forming an optic. The substrate may have an integral portion forming a plurality of angled columnar features on an exposed surface thereof. The plurality of angled columnar features may further be aligned parallel with a directional plane formed non-parallel to a reference plane, with the reference plane being normal to a surface of the substrate. The metasurface forms a birefringent metasurface.

Feigenbaum, Eyal↗
DOE OSTI2026

Additively Reinforced Thermoformable PETG Composite Sheets for Improved Structural Efficiency

Thermoforming of short-fiber reinforced thermoplastic sheets offers a viable pathway for producing lightweight composite components; however, inherent anisotropy in fiber-reinforced sheets can limit structural performance under multidirectional loading. In this work, short carbon fiber, glass fiber, and hybrid fiber–reinforced PETG sheets were evaluated as candidate feedstock materials for thermoforming, with flexural and tensile testing performed both along the primary fiber direction and in the off-axis orientation to establish baseline stiffness, strength, and anisotropy. As expected, short carbon fiber PETG exhibited the highest stiffness and strength in the primary fiber direction, while all systems showed reduced performance in the off-axis direction. This off-axis performance reduction provides clear justification for the use of additive reinforcement when such thermoformed sheets are intended for structural applications. The intended manufacturing sequence involves thermoforming the reinforced sheet first, followed by the application of additively manufactured lattice reinforcement; therefore, the reinforcement strategy does not impose limitations on sheet formability during thermoforming. Post-forming lattice reinforcement significantly reduced load-normalized displacement by approximately 95–99% relative to non-reinforced sheets and improved weight-normalized stiffness by ~70%. These findings demonstrate that geometry-driven additive reinforcement can effectively compensate for off-axis property reductions in thermoformed PETG composites, enabling enhanced multidirectional structural performance without compromising manufacturability.

Talabi, Isaac [ORNL] (ORCID:0000000340215594)↗
DOE OSTI2020

Mesh-Sequenced Realizations for Evaluation of Subgrid-Scale Models for Turbulent Combustion

This paper develops a new approach for analysis of subgrid closures for turbulent combustion as modeled using direct quadrature (finite-rate chemistry) techniques. The approach, termed multiresolution analysis through mesh-sequenced realizations (MRA-MSR), conducts simultaneous, constrained large-eddy simulations on a set of hierarchically coarsened meshes. Furthermore, the availability of underlying fine-mesh (subgrid) data corresponding to coarse-mesh locations allows a clearer assessment of the effects of unresolved fluctuations on apparent reactivity. A key to MRA-MSR is the correlation of eddy structures at coarser mesh levels, which is facilitated by the transfer of filtered fine-mesh velocity information. A seven-mesh MRA-MSR hierarchy using three resolution levels is applied to one of the Sydney bluff-body stabilized methane–hydrogen flames. Analysis of the simultaneously evolved data at different resolution levels reveals several interesting trends. First, at high Damköhler numbers, there is clear evidence of attenuation of apparent reactivity due to the effects of unresolved fluctuations. Secondly, single-point, single-time filtered density functions of a normalized subgrid Damköhler number show a characteristic beta probability density function (PDF) form and display evidence of scale similarity. Interrogation of the MRA-MSR database also shows that the recently-proposed least-squares minimization (LSM) turbulence–chemistry interaction model can account for the observed diminishment in reactivity at high Damköhler numbers but cannot reduce scatter significantly. A new form of the LSM model, which makes use of the normalized subgrid Damköhler number beta PDF distribution, performs slightly better than the original model, illustrating the potential of MRA-MSR both in assessing existing closure concepts and in developing new ones.

42 ENGINEERING↗
DOE OSTI2022

The eROSITA Final Equatorial-Depth Survey (eFEDS)

The eROSITA Final Equatorial Depth Survey (eFEDS), completed in survey mode during the calibration and performance verification phase of the eROSITA instrument on Spectrum Roentgen Gamma, delivers data at and beyond the final depth of the 4-yr eROSITA all-sky survey (eRASS:8), f 0.5–2 keV = 1.1 × 10 –14 erg s –1 cm –2 , over 140 deg 2 . It provides the first view of normal galaxy X-ray emission from X-ray binaries (XRBs) and the hot interstellar medium at the full depth of eRASS:8. We used the Heraklion Extragalactic Catalogue (HECATE) of galaxies to correlate with eFEDS X-ray sources and identify X-ray detected normal galaxies. This flux-limited X-ray survey is relatively free from selection effects and enables the study of integrated normal galaxy X-ray emission and its relation to galaxy parameters such as the stellar mass, star formation rate (SFR), and metallicity. We cross-correlated 32 646 eFEDS X-ray sources to 1181 HECATE normal galaxies and obtained 94 matches. We classified galaxies as star-forming, early-type, composite, and active galactic nuclei (AGN) using Sloan Digital Sky Survey (SDSS) and Six-degree Field (6dF) optical spectroscopy. The eFEDS field harbours 37 normal galaxies: 36 late-type (star-forming) galaxies and one early-type galaxy. There are 1.9 times as many normal galaxies as predicted by scaling relations via simulations, with an overabundance of late-type galaxies and a dearth of early-type galaxies. When compared with empirical relations, eFEDS dwarf galaxies with a high specific SFR have elevated L X /SFR at a fixed specific SFR and metallicity, indicating an increase in XRB emission due to low metallicity. We expect that eRASS:8 will detect 12 500 normal galaxies, the majority of which will be star-forming, with the caveat that there are unclassified sources in eFEDS and galaxy catalogue incompleteness issues that could increase the actual number of detected galaxies over these current estimates. eFEDS observations detected a rare population of galaxies – the metal-poor dwarf starbursts – that do not follow known scaling relations. eRASS is expected to discover significant numbers of these high-redshift analogues, which are important for studying the heating of the intergalactic medium at high redshift. Further investigation of the hot gas emission from normal galaxies and stochastic effects in the dwarf galaxy population are required to constrain their X-ray output.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Microstructural analysis of tristructural isotropic particles in high-temperature steam mixed gas atmospheres

High-temperature gas-cooled reactors (HTGRs) use tristructural isotropic (TRISO) particles embedded in a graphitic matrix material to form the integral fuel element. Potential off-normal reactor conditions for HTGRs include steam ingress with temperatures above 1,000 °C. Fuel element exposure to steam can cause the graphitic matrix material to evolve, forming an atmosphere composed of oxidants and oxidation products and potentially exposing the TRISO particles to these conditions. Investigating the oxidation response of TRISO particles exposed to a mixed gas atmosphere will provide insight into the stability under off-normal conditions. In this study, surrogate TRISO particles were exposed to high temperatures (T = 1,200 °C) in flowing steam (3% < pH 2 O < 21%) and CO (pCO < 1%) to determine the oxidation behavior of the SiC layer when exposed to various mixed gas atmospheres. Scanning electron microscopy, x-ray diffraction, and focused ion beam milling was used to determine the impact of CO and steam on the oxidation behavior of the SiC layer. Therefore, the data presented demonstrates how the SiC layer showed strong oxidation resistance due to limited SiO 2 growth and maintained its structural integrity under these off-normal conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Enhancement of detachment control with simplified real-time modelling on the KSTAR tokamak

Abstract Detachment control based on ion saturation current I sat measurements from Langmuir probes (LPs) is implemented in the KSTAR tokamak and shown to be capable of following dynamic and constant target trajectories with good accuracy, in H-mode, by moderating the flow rate of nitrogen or deuterium. I sat controllers normalize I sat in order to form attachment fraction ( A frac ) as their control parameter. The KSTAR implementation of A frac control differs from previous work in that it continuously calculates a model for attached I sat and uses that as the denominator in A frac , whereas prior implementations either record peak I sat at rollover as they pass it or take estimated I s a t , r o l l o v e r as a manual input prior to the shot. The KSTAR controller therefore does not need to keep track of rollover status and keep separate targets for pre- and post-rollover states, and it can automatically adapt to changes in scenario at any time. It is also less vulnerable to noise as it will not lock in an outlier as a rollover point.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Novel animal model of multiple sclerosis: The glial connexin gap junction as an environmental tuner for neuroinflammation

Abstract Connexins, which comprise gap junctions (GJs) via homotypic/heterotypic oligomerization, act as channels to connect opposing cells, mainly in solid organs such as the skin, liver, heart, and central/peripheral nervous system. Connexins are synthesized in the endoplasmic reticulum, assembled in the Golgi apparatus as hexamers, and inserted into the cell membrane as hemichannels. These hemichannels are closed under normal conditions until they combine to form clusters and connect to neighboring cells via GJs in a head‐to‐head configuration. Opening of hemichannels, which depends on the intra‐ or extracellular environment, allows various bioactive molecules to enter into or be released from the host cells. Recent pathological studies on human demyelinating diseases have revealed alterations of connexin expression patterns in demyelinating lesions. To elucidate the molecular mechanisms of connexins in the pathomechanisms of inflammatory demyelination, we induced experimental autoimmune encephalomyelitis (EAE) in connexin 30 (Cx30)‐deficient mice, oligodendroglia‐specific Cx47‐ablated mice, and astroglia‐specific Cx43‐ablated mice. We found that both astroglial‐Cx30‐deficient mice and Cx43‐ablated mice showed amelioration of the clinical course of EAE, while oligodendroglial‐Cx47‐ablated mice showed aggravation. These findings indicate the distinct role of connexins expressed in different cell types and the substantial contribution of connexin‐mediated pathology to demyelinating disorders. The imbalance in connexin expression, which is caused by the inflammatory environment, results in an increase in hemichannels in glial cells. The release of proinflammatory molecules induced by the increase in hemichannels on activated glial cells is a crucial mechanism of demyelinating disorders.

Yamasaki, Ryo↗