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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Weyl Fermion magneto-electrodynamics and ultralow field quantum limit in TaAs

Topological semimetals are predicted to exhibit unconventional electrodynamics, but a central experimental challenge is singling out the contributions from the topological bands. TaAs is the prototypical example, where 24 Weyl points and 8 trivial Fermi surfaces make the interpretation of any experiment in terms of band topology ambiguous. We report magneto-infrared reflection spectroscopy measurements on TaAs. We observed sharp inter-Landau level transitions from a single pocket of Weyl Fermions in magnetic fields as low as 0.4 tesla. We determine the W2 Weyl point to be 8.3 meV below the Fermi energy, corresponding to a quantum limit—the field required to reach the lowest LL—of 0.8 tesla—unprecedentedly low for Weyl Fermions. LL spectroscopy allows us to isolate these Weyl Fermions from all other carriers in TaAs, and our result provides a way for directly exploring the more exotic quantum phenomena in Weyl semimetals, such as the chiral anomaly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Evidence for phonon hardening in laser-excited gold using x-ray diffraction at a hard x-ray free electron laser

Studies of laser-heated materials on femtosecond timescales have shown that the interatomic potential can be perturbed at sufficiently high laser intensities. For gold, it has been postulated to undergo a strong stiffening leading to an increase of the phonon energies, known as phonon hardening. Despite efforts to investigate this behavior, only measurements at low absorbed energy density have been performed, for which the interpretation of the experimental data remains ambiguous. By using in situ single-shot x-ray diffraction at a hard x-ray free-electron laser, the evolution of diffraction line intensities of laser-excited Au to a higher energy density provides evidence for phonon hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Atomistic, macromolecular model of the Populus secondary cell wall informed by solid-state NMR

Plant secondary cell walls (SCWs) are composed of a heterogeneous interplay of three major biopolymers: cellulose, hemicelluloses, and lignin. Details regarding specific intermolecular interactions and higher-order architecture of the SCW superstructure remain ambiguous. Here, we use solid-state nuclear magnetic resonance (ssNMR) measurements to infer refined details about the structural configuration, intermolecular interactions, and relative proximity of all three major biopolymers within air-dried Populus wood. To enhance the utility of these findings and enable evaluation of hypotheses in a physics-based environment in silico, the NMR observables are articulated into an atomistic, macromolecular model for biopolymer assemblies within the plant SCW. Through molecular dynamics simulation, we quantitatively evaluate several variations of atomistic models to determine structural details that are corroborated by ssNMR measurements.

09 BIOMASS FUELS↗
DOE OSTI2026

Exploring life’s hidden majority: microbial dark matter symposium highlights

The Microbial Dark Matter Symposium held on August 28–29, 2025, in Laguna Beach, Orange County, CA, convened a multidisciplinary group of scientists to address the vast unknowns in microbial life—from uncultured taxa and uncharacterized proteins to elusive viruses and spacefaring microbes. Set against a scenic coastal backdrop, the symposium highlighted advances in single-cell genomics, proximity ligation sequencing, and artificial intelligence-ready bioinformatics, while also probing the limits of microbial persistence, metabolism, and ecological distribution. Sessions explored microbial dark matter from multiple dimensions: cultivability, where new strategies are enabling recovery of elusive microbes; functional ambiguity, where metagenomic dark zones are illuminated by computational annotation; and genomic representation, where single-cell methods bridge gaps left by shotgun community sequencing. Researchers shared breakthroughs in identifying atmospheric microbiomes, “dark oxygen” production in groundwater ecosystems, and microbial survival on the International Space Station. The symposium emphasized integration of methods, disciplines, and ecosystems, advancing a collective push to illuminate the microbial dark matter on Earth and beyond. By highlighting emerging tools, pressing questions, and cross-domain insights, the symposium underscored the need for collaborative, open, and adaptive approaches to study the microbial unknown. The meeting marks a pivotal moment in microbiology, where cultivating knowledge of the uncultivated promises transformative understanding of life, everywhere.

Podar, Mircea [ORNL] (ORCID:0000000327760205)↗
DOE OSTI2021

The Indian Ocean, its supra-subduction history, and implications for ophiolites

We report Ophiolite complexes represent fragments of ocean crust and mantle formed at spreading centers and emplaced on land. The setting of their origin, whether at mid-ocean ridges, back-arc basins, or forearc basins has been debated. Geochemical classification of many ophiolite extrusive rocks reflect an approach interpreting their tectonic environment as the same as rocks with similar compositions formed in various modern oceanic settings. This approach has pointed to the formation of many ophiolitic extrusive rocks in a supra-subduction zone (SSZ) environment. Paradoxically, structural and stratigraphic evidence suggests that many apparent SSZ-produced ophiolite complexes are more consistent with mid-ocean ridge settings. Compositions of lavas in the southeastern Indian Ocean resemble those of modern SSZ environments and SSZ ophiolites, although Indian Ocean lavas clearly formed in a mid-ocean ridge setting. These facts suggest that an interpretation of the tectonic environment of ophiolite formation based solely on their geochemistry may be unwarranted. New seismic images revealing extensive Mesozoic subduction zones beneath the southern Indian Ocean provide one mechanism to explain this apparent paradox. Cenozoic mid-ocean-ridge–derived ocean floor throughout the southern Indian Ocean apparently formed above former sites of subduction. Compositional remnants of previously subducted mantle in the upper mantle were involved in generation of mid-ocean ridge lavas. The concept of historical contingency may help resolve the ambiguity on understanding the environment of origin of ophiolites. Many ophiolites with “SSZ” compositions may have formed in a mid-ocean ridge setting such as the southeastern Indian Ocean.

58 GEOSCIENCES↗
DOE OSTI2020

Clumped isotope constraints on changes in latest Pleistocene hydroclimate in the northwestern Great Basin: Lake Surprise, California

Abstract During the Last Glacial Maximum (LGM) and subsequent deglaciation, the Great Basin in the southwestern United States was covered by numerous extensive closed-basin lakes, in stark contrast with the predominately arid climate observed today. This transition from lakes in the Late Pleistocene to modern aridity implies large changes in the regional water balance. Whether these changes were driven by increased precipitation rates due to changes in atmospheric dynamics, decreased evaporation rates resulting from temperature depression and summer insolation changes, or some combination of the two remains uncertain. The factors contributing to these large-scale changes in hydroclimate are critical to resolve, given that this region is poised to undergo future anthropogenic-forced climate changes with large uncertainties in model simulations for the 21st century. Furthermore, there are ambiguous constraints on the magnitude and even the sign of changes in key hydroclimate variables between the Last Glacial Maximum and the present day in both proxy reconstructions and climate model analyses of the region. Here we report thermodynamically derived estimates of changes in temperature, precipitation, and evaporation rates, as well as the isotopic composition of lake water, using clumped isotope data from an ancient lake in the northwestern Great Basin, Lake Surprise (California). Compared to modern climate, mean annual air temperature at Lake Surprise was 4.7 °C lower during the Last Glacial Maximum, with decreased evaporation rates and similar precipitation rates to modern. During the mid-deglacial period, the growth of Lake Surprise implied that the lake hydrologic budget briefly departed from steady state. Our reconstructions indicate that this growth took place rapidly, while the subsequent lake regression took place over several thousand years. Using models for precipitation and evaporation constrained from clumped isotope results, we determine that the disappearance of Lake Surprise coincided with a moderate increase in lake temperature, along with increasing evaporation rates outpacing increasing precipitation rates. Concomitant analysis of proxy data and climate model simulations for the Last Glacial Maximum are used to provide a robust means to understand past climate change, and by extension, predict how current hydroclimates may respond to expected future climate forcings. We suggest that an expansion of this analysis to more basins across a larger spatial scale could provide valuable insight into proposed climate forcings, and aid in climate model process depiction. Ultimately, our analysis highlights the importance of temperature-driven evaporation as a mechanism for lake growth and retreat in this region.

Geology↗
DOE OSTI2021

River sinuosity describes a continuum between randomness and ordered growth

River channels are among the most common landscape features on Earth. An essential characteristic of channels is sinuosity: their tendency to take a circuitous path, which is quantified as along-stream length divided by straight-line length. River sinuosity is interpreted as a characteristic that either forms randomly at channel inception or develops over time as meander bends migrate. Studies tend to assume the latter and thus have used river sinuosity as a proxy for both modern and ancient environmental factors including climate, tectonics, vegetation, and geologic structure. But no quantitative criterion for planform expression has distinguished between random, initial sinuosity and that developed by ordered growth through channel migration. This ambiguity calls into question the utility of river sinuosity for understanding Earth’s history. We propose a quantitative framework to reconcile these competing explanations for river sinuosity. Using a coupled analysis of modeled and natural channels, we show that while a majority of observed sinuosity is consistent with randomness and limited channel migration, rivers with sinuosity ≥1.5 likely formed their geometry through sustained, ordered growth due to channel migration. This criterion frames a null hypothesis for river sinuosity that can be applied to evaluate the significance of environmental interpretations in landscapes shaped by rivers. The quantitative link between sinuosity and channel migration further informs strategies for preservation and restoration of riparian habitat and guides predictions of fluvial deposits in the rock record and in remotely sensed environments from the seafloor to planetary surfaces.

58 GEOSCIENCES↗
DOE OSTI2023

First Moments of a Polyhedron Clipped by a Paraboloid

We provide closed-form expressions for the first moments (i.e., the volume and volume-weighted centroid) of a polyhedron clipped by a paraboloid, that is, of a polyhedron intersected with the subset of the three-dimensional real space located on one side of a paraboloid. These closed-form expressions are derived following successive applications of the divergence theorem and the judicious parametrization of the intersection of the polyhedron’s faces with the paraboloid. Here, we provide means for identifying ambiguous discrete intersection topologies, and propose a corrective procedure for preventing their occurence. Finally, we put our proposed closed-form expressions and numerical approach to the test with millions of random and manually engineered polyhedron/paraboloid intersection configurations. The results of these tests show that we are able to provide robust machine-accurate estimates of the first moments at a computational cost that is within one order of magnitude of that of state-of-the-art half-space clipping algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Primary track recovery in high-definition gas time projection chambers

Abstract We develop and validate a new algorithm called primary track recovery () that effectively deconvolves known physics and detector effects from nuclear recoil tracks in gas time projection chambers (TPCs) with high-resolution readout. This gives access to the primary track charge, length, and vector direction (helping to resolve the “head-tail” ambiguity). Additionally, provides a measurement of the transverse and longitudinal diffusion widths, which can be used to determine the absolute position of tracks in the drift direction for detector fiducialization. Using simulated helium recoils in an atmospheric pressure TPC with a 70:30 mixture of $$\hbox {He:CO}_2$$ He:CO 2 we compare the performance of to traditional methods for all key track variables. We find that the algorithm reduces reconstruction errors, including those caused by charge integration, for tracks with mean length-to-width ratios 1.4 and above, corresponding to recoil energies of 20 keV and above in the studied TPCs. We show that improves on existing methods for head-tail disambiguation, particularly for highly inclined tracks, and improves the determination of the absolute position of recoils on the drift axis via transverse diffusion. We find that can partially recover charge structure integrated out by the detector in the z direction, but that its determination of energy and length have worse resolution compared to existing methods. We use experimental data to qualitatively verify these findings and discuss implications for future directional detectors at the low-energy frontier.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Extending the predictive power of perturbative QCD using the principle of maximum conformality and the Bayesian analysis

In addition to the evaluation of high-order loop contributions, the precision and predictive power of perturbative QCD (pQCD) predictions depends on two important issues: (1) how to achieve a reliable, convergent fixed-order series, and (2) how to reliably estimate the contributions of unknown higher-order terms. The recursive use of renormalization group equation, together with the Principle of Maximum Conformality (PMC), eliminates the renormalization scheme-and-scale ambiguities of the conventional pQCD series. The result is a conformal, scale-invariant series of finite order which also satisfies all of the principles of the renormalization group. In this paper we propose a novel Bayesian-based approach to estimate the size of the unknown higher order contributions based on an optimized analysis of probability distributions. We show that by using the PMC conformal series, in combination with the Bayesian analysis, one can consistently achieve high degree of reliability estimates for the unknown high order terms. Thus the predictive power of pQCD can be greatly improved. We illustrate this procedure for two pQCD observables: R e+e– and R τ , which are each known up to four loops in pQCD. Numerical analyses confirm that by using the scale-independent and more convergent PMC conformal series, one can achieve reliable Bayesian probability estimates for the unknown higher-order contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Toward extracting $$\gamma $$ from $$B\rightarrow DK$$ without binning

Abstract $$B^\pm \rightarrow DK^\pm $$ B ± → D K ± transitions are known to provide theoretically clean information about the CKM angle $$\gamma $$ γ , with the most precise available methods exploiting the cascade decay of the neutral D into CP self-conjugate states. Such analyses currently require binning in the D decay Dalitz plot, while a recently proposed method replaces this binning with the truncation of a Fourier series expansion. In this paper, we present a proof of principle of a novel alternative to these two methods, in which no approximations at the level of the data representation are required. In particular, our new strategy makes no assumptions about the amplitude and strong phase variation over the Dalitz plot. This comes at the cost of a degree of ambiguity in the choice of test statistic quantifying the compatibility of the data with a given value of $$\gamma $$ γ , with improved choices of test statistic yielding higher sensitivity. While our current proof-of-principle implementation does not demonstrate optimal sensitivity to $$\gamma $$ γ , its conceptually novel approach opens the door to new strategies for $$\gamma $$ γ extraction. More studies are required to see if these can be competitive with the existing methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

The performance of missing transverse momentum reconstruction and its significance with the ATLAS detector using 140 $\hbox {fb}^{-1}$ of $\sqrt{s}=13$ TeV pp collisions

This paper presents the reconstruction of missing transverse momentum ($p_{\text {T}}^{\text {miss}}$ ) in proton–proton collisions, at a center-of-mass energy of 13 TeV. This is a challenging task involving many detector inputs, combining fully calibrated electrons, muons, photons, hadronically decaying $\tau$ -leptons, hadronic jets, and soft activity from remaining tracks. Possible double counting of momentum is avoided by applying a signal ambiguity resolution procedure which rejects detector inputs that have already been used. Several $p_{\text {T}}^{\text {miss}}$ ‘working points’ are defined with varying stringency of selections, the tightest improving the resolution at high pile-up by up to 39% compared to the loosest. The $p_{\text {T}}^{\text {miss}}$ performance is evaluated using data and Monte Carlo simulation, with an emphasis on understanding the impact of pile-up, primarily using events consistent with leptonic Z decays. The studies use $140~\text {fb}^{-1}$ of data, collected by the ATLAS experiment at the Large Hadron Collider between 2015 and 2018. The results demonstrate that $p_{\text {T}}^{\text {miss}}$ reconstruction, and its associated significance, are well understood and reliably modelled by simulation. Finally, the systematic uncertainties on the soft $p_{\text {T}}^{\text {miss}}$ component are calculated. After various improvements the scale and resolution uncertainties are reduced by up to 76% and 51%, respectively, compared to the previous calculation at a lower luminosity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Do holographic CFT states have unique semiclassical bulk duals?

Here, we discuss a situation where a holographic CFT state has multiple semiclassical bulk duals. In our example, a given holographic state has two simple, semiclassical descriptions, one with a closed universe, constructed using the gravitational path integral, and one without a closed universe, constructed using the extrapolate dictionary. This highlights an ambiguity in the AdS/CFT dictionary. We propose various options for resolving this tension although none is perfectly satisfactory. We also discuss what this implies for the black hole interior and the gravitational path integral.

AdS/CFT correspondence↗
DOE OSTI2025

BuildingQA: A Benchmark for Natural Language Question Answering over Building Knowledge Graphs

Graph-based representations of building metadata using ontologies like Brick are vital for smart building applications, but querying them remains a challenge for practitioners. Knowledge Graph Question Answering (KGQA) systems, meant to retrieve answers from natural language questions, traditionally require large-scale training data, making them ill-suited for the specialized and data-scarce building domain. The advent of Large Language Models (LLMs) offers a paradigm shift, enabling zero-shot natural language querying without building/domain-specific training. Yet, there is no standardized benchmark for building-specific KGQA which can guide and validate research in this area. To address this gap, our work makes three primary contributions. First, we introduce the BuildingQA Benchmark Dataset, constructed through a multi-stage process of collecting practitioner data, augmenting it with LLMs for linguistic diversity, and curating a final set of 188 questions across 4 buildings. Second, we characterize the benchmark's complexity and ambiguity, introducing a novel method to quantify its "lexical gap" and providing a four-stage diagnostic framework for analyzing how systems fail. Third, we benchmark zero-shot LLM-powered KGQA systems to establish baseline performance and analyze their failure modes. Our evaluation reveals that top-performing systems achieve a maximum F1 score of only 0.38. This result does not indicate a failure of these powerful systems, but rather underscores the unique challenges posed by our benchmark. It demonstrates a critical performance gap, showing that current methods successful on general KGs struggle with the specific lexical and structural nuances of the building domain. BuildingQA1 thus provides the benchmark dataset and foundational analysis needed to drive the development of novel, domain-aware methods required to unlock the use of semantic data in buildings.

Mulayim, Ozan Baris↗
DOE OSTI2025

Position-Enhanced Gradient Attack (PEGA) on Medical Language Models

Federated Learning (FL) enables collaborative training of language models on sensitive clinical notes without sharing the data. However, this paradigm is vulnerable to gradient inversion attacks that can reconstruct private data from shared gradients. We find that state-of-the-art attacks are less effective in the medical domain, failing to overcome the unique challenges posed by its specialized vocabulary and unstructured format. To address this, we introduce the Position-Enhanced Gradient Attack (PEGA), a novel attack that makes gradients position-aware by optimizing token and position embeddings simultaneously. PEGA employs two key innovations: a periodic sorting of positional embeddings to resolve token order ambiguity and a late-stage embedding replacement strategy to correct hard-to-recover critical tokens. To evaluate the leakage of sensitive data more directly, we also propose the Unified PHI-Recall (UPHI), a new metric measuring the recovery of Protected Health Information. Experiments on the MIMIC-III dataset show that PEGA significantly outperforms leading attacks like TAG and LAMP, particularly in its ability to reconstruct identifiable patient information, exposing a more severe and nuanced privacy risk in federated medical NLP.

Xu, Nuo [University of Minnesota]↗
DOE OSTI2026

BrickQA: Bridging the Semantic Gap in Building Operations with Dynamic Graph Exploration

While standardized ontologies like the Brick schema address data heterogeneity in Building Automation Systems (BAS), accessing this semantic data remains a challenge as domain experts often lack the expertise to formulate complex SPARQL queries. To bridge this gap, we present BrickQA, a Large Language Model (LLM)-based framework that translates natural language into executable SPARQL queries through structured query decomposition, dynamic schema exploration, and inline validation. BrickQA utilizes an iterative reasoning agent to actively navigate graph topology through dynamic exploration actions without requiring exhaustive context injection or model fine-tuning. This approach effectively mitigates hallucinations, particularly in large-scale building knowledge graphs. Empirical evaluation on BuildingQA, a standardized benchmark, demonstrates that BrickQA significantly outperforms ReAct baselines, delivering a 0.291–0.355 absolute F1 improvement while achieving 3 × –12.7 × higher token cost-efficiency. Beyond these metrics, the framework maintains structural fidelity across heterogeneous buildings and remains resilient to ambiguous queries without requiring site-specific fine-tuning. Furthermore, a case study on operational analytics validates the framework’s capability to handle temporal and aggregation constraints, effectively transforming abstract semantic models into actionable facility management insights.1

Ko, Yun-Dam↗
DOE OSTI2021

Circuit Analysis of Ionizing Surface Potential Measurements of Electrolyte Solutions

Surface potential measurement values of the gas-liquid interface can be ambiguous despite the numerous electrochemical approaches used for quantification of the reported values. Calibration and normalization methods are not standardized, which often undermines the robustness of the reported values. Surface potential instrumentation and data interpretation also varies significantly across literature. Here, we propose a circuit model for an ionizing surface potential method based on the alpha decay of a radioactive americium-241 electrode. We evaluate the robustness of the circuit model for quantifying the surface potential at the air-aqueous interface. We then show successful validation of our circuit model through determination of the surface tension of the air-electrolyte interface with comparison to respective surface tension literature values. This validation reveals the reliability of surface potential measurements using the americium-241 ionizing method. We also report the surface potential difference of the air/water interface to be –0.49 V ± 0.01 V consistent with hydrogens of water pointing toward the air phase.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Do Deep Eutectic Solvents Behave Like Ionic Liquid Electrolytes? A Perspective from the Electrode-Electrolyte Interface

The differential capacitance as a function of potential and composition for choline chloride (ChCl) and ethylene glycol (EG) at 1:2,1:4, 1:6, and 1:20 molar ratios were studied using electrochemical impedance spectroscopy (EIS) on glassy carbon. In addition, ChCl:EG at the known ethaline DES composition (1:2) and 1:20 molar ratio were studied on Au and Pt electrodes, and compared to glyceline (ChCl:glycerol, 1:2). The capacitance-potential curves on glassy carbon were best interpreted by the modified Gouy-Chapman model. A dampened U-shape was observed similar to dilute electrolytes, however, the non-negligible ionic and H-bonding interactions in these electrolytes resulted in ambiguity about the point of zero charge where capacitance was weakly dependent on potential. Additionally, the differential capacitance was independent of composition on glassy carbon due to limited availability of mobile free ions and constraints by solvated ion sizes within the interface. Increases in capacitance are observed with Au as a result of desolvation and specific adsorption of Cl, and with Pt upon decreased Cl concentrations. These results indicate DESs and H-bonded electrolytes with high salt concentrations are distinct from ionic liquids and present no pronounced over screening or crowding with applied potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗