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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Dynamically tunable membrane metasurfaces for infrared spectroscopy and strong light-matter interactions

Mid-infrared spectroscopy enables biochemical sensing by identifying vibrational molecular fingerprints, but it faces limitations in instrumentation portability and analytical sensitivity. Optical metasurfaces with strong mid-infrared photonic resonances provide an attractive solution towards on-chip spectrometry and sensitive molecular detection, yet their static nature hinders their anticipated impact. Here, we introduce and demonstrate dynamically tunable silicon membrane metasurfaces exhibiting high-Q transmissive resonances in the fingerprint region. By harnessing silicon’s thermo-optical properties, we achieve continuous modulation of coupling-induced transparency (CIT) modes that emerge upon the interference of quasi-bound states in the continuum (q-BICs) and surface lattice modes (SLMs). We measure a spectral tuning rate of 0.06 cm −1 K −1 by continuously sweeping the sharp CIT resonances over a 23.5 cm −1 spectral range across a temperature range of 300–700 K. In the current proof‑of‑concept implementation, the dynamic transmission control enables non-contact chemical analysis of polymer films by detecting characteristic absorption bands of polystyrene (1450 and 1492 cm −1 ) and poly(methyl methacrylate) (1730 cm −1 ) without requiring conventional spectrometers. When analyte molecules fill the metasurface-generated photonic cavities, we demonstrate vibrational strong coupling between the poly(methyl methacrylate)’s carbonyl band and the CIT mode, manifested in a Rabi splitting of ~43 cm −1 . Our results establish a new photonic platform that unites spectral precision, strong field enhancement, and reconfigurability, offering diverse potential for compact mid-infrared spectroscopy, molecular sensing, and programmable polaritonic photonics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle

Skeletal muscle is more resilient to ischemia-reperfusion injury than other organs. Tissue specific post-translational modifications of cytochrome c (Cytc) are involved in ischemia-reperfusion injury by regulating mitochondrial respiration and apoptosis. Here, we describe an acetylation site of Cytc, lysine 39 (K39), which was mapped in ischemic porcine skeletal muscle and removed by sirtuin5 in vitro. Using purified protein and cellular double knockout models, we show that K39 acetylation and acetylmimetic K39Q replacement increases cytochrome c oxidase (COX) activity and ROS scavenging while inhibiting apoptosis via decreased binding to Apaf-1, caspase cleavage and activity, and cardiolipin peroxidase activity. These results are discussed with X-ray crystallography structures of K39 acetylated (1.50 Å) and acetylmimetic K39Q Cytc (1.36 Å) and NMR dynamics. We propose that K39 acetylation is an adaptive response that controls electron transport chain flux, allowing skeletal muscle to meet heightened energy demand while simultaneously providing the tissue with robust resilience to ischemia-reperfusion injury.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Hexanary blends: a strategy towards thermally stable organic photovoltaics

Non-fullerene based organic solar cells display a high initial power conversion efficiency but continue to suffer from poor thermal stability, especially in case of devices with thick active layers. Mixing of five structurally similar acceptors with similar electron affinities, and blending with a donor polymer is explored, yielding devices with a power conversion efficiency of up to 17.6%. The hexanary device performance is unaffected by thermal annealing of the bulk-heterojunction active layer for at least 23 days at 130 °C in the dark and an inert atmosphere. Moreover, hexanary blends offer a high degree of thermal stability for an active layer thickness of up to 390 nm, which is advantageous for high-throughput processing of organic solar cells. Here, a generic strategy based on multi-component acceptor mixtures is presented that permits to considerably improve the thermal stability of non-fullerene based devices and thus paves the way for large-area organic solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Critical role of slags in pitting corrosion of additively manufactured stainless steel in simulated seawater

Abstract Pitting corrosion in seawater is one of the most difficult forms of corrosion to identify and control. A workhorse material for marine applications, 316L stainless steel (316L SS) is known to balance resistance to pitting with good mechanical properties. The advent of additive manufacturing (AM), particularly laser powder bed fusion (LPBF), has prompted numerous microstructural and mechanical investigations of LPBF 316L SS; however, the origins of pitting corrosion on as-built surfaces is unknown, despite their utmost importance for certification of LPBF 316L SS prior to fielding. Here, we show that Mn-rich silicate slags are responsible for pitting of the as-built LPBF material in sodium chloride due to their introduction of deleterious defects such as cracks or surface oxide heterogeneities. In addition, we explain how slags are formed in the liquid metal and deposited at the as-built surfaces using high-fidelity melt pool simulations. Our work uncovers how LPBF changes surface oxides due to rapid solidification and high-temperature oxidation, leading to fundamentally different pitting corrosion mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The reverse quantum limit and its implications for unconventional quantum oscillations in YbB12

Abstract The quantum limit in a Fermi liquid, realized when a single Landau level is occupied in strong magnetic fields, gives rise to unconventional states, including the fractional quantum Hall effect and excitonic insulators. Stronger interactions in metals with nearly localized f -electron degrees of freedom increase the likelihood of these unconventional states. However, access to the quantum limit is typically impeded by the tendency of f -electrons to polarize in a strong magnetic field, consequently weakening the interactions. In this study, we propose that the quantum limit in such systems must be approached in reverse, starting from an insulating state at zero magnetic field. In this scenario, Landau levels fill in the reverse order compared to regular metals and are closely linked to a field-induced insulator-to-metal transition. We identify YbB 12 as a prime candidate for observing this effect and propose the presence of an excitonic insulator state near this transition.

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

Automating data analysis for hydrogen/deuterium exchange mass spectrometry using data-independent acquisition methodology

We present a hydrogen/deuterium exchange workflow coupled to tandem mass spectrometry (HX-MS 2 ) that supports the acquisition of peptide fragment ions alongside their peptide precursors. The approach enables true auto-curation of HX data by mining a rich set of deuterated fragments, generated by collisional-induced dissociation (CID), to simultaneously confirm the peptide ID and authenticate MS 1 -based deuteration calculations. The high redundancy provided by the fragments supports a confidence assessment of deuterium calculations using a combinatorial strategy. The approach requires data-independent acquisition (DIA) methods that are available on most MS platforms, making the switch to HX-MS 2 straightforward. Importantly, we find that HX-DIA enables a proteomics-grade approach and wide-spread applications. Considerable time is saved through auto-curation and complex samples can now be characterized and at higher throughput. We illustrate these advantages in a drug binding analysis of the ultra-large protein kinase DNA-PKcs, isolated directly from mammalian cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Phage-specific immunity impairs efficacy of bacteriophage targeting Vancomycin Resistant Enterococcus in a murine model

Bacteriophage therapy is a promising approach to address antimicrobial infections though questions remain regarding the impact of the immune response on clinical effectiveness. Here, we develop a mouse model to assess phage treatment using a cocktail of five phages from the Myoviridae and Siphoviridae families that target Vancomycin-Resistant Enterococcus gut colonization. Phage treatment significantly reduces fecal bacterial loads of Vancomycin-Resistant Enterococcus. We also characterize immune responses elicited following administration of the phage cocktail. While minimal innate responses are observed after phage administration, two rounds of treatment induces phage-specific neutralizing antibodies and accelerate phage clearance from tissues. Interestingly, the myophages in our cocktail induce a more robust neutralizing antibody response than the siphophages. This anti-phage immunity reduces the effectiveness of the phage cocktail in our murine model. Collectively, this study shows phage-specific immune responses may be an important consideration in the development of phage cocktails for therapeutic use.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Absence of bulk charge density wave order in the normal state of UTe 2

A spatially modulated superconducting state, known as pair density wave (PDW), is a tantalizing state of matter with unique properties. Recent scanning tunneling microscopy (STM) studies revealed that spin-triplet superconductor UTe 2 hosts an unprecedented spin-triplet, multi-component PDW whose three wavevectors are indistinguishable from a preceding charge-density wave (CDW) order that survives to temperatures well above the superconducting critical temperature, T c . Whether the PDW is the mother or a subordinate order remains unsettled. Here, based on a systematic search for bulk charge order above T c using resonant elastic X-ray scattering (REXS), we show that the structure factor of charge order previously identified by STM is absent in the bulk within the sensitivity of REXS. Our results invite two scenarios: either the density-wave orders condense simultaneously at T c in the bulk, in which case PDW order is likely the mother phase, or the charge modulations are restricted to the surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Trapping light in air with membrane metasurfaces for vibrational strong coupling

Optical metasurfaces can manipulate electromagnetic waves in unprecedented ways at ultra-thin engineered interfaces. Specifically, in the mid-infrared (mid-IR) region, metasurfaces have enabled numerous biochemical sensing, spectroscopy, and vibrational strong coupling (VSC) applications via enhanced light-matter interactions in resonant cavities. However, mid-IR metasurfaces are usually fabricated on solid supporting substrates, which degrade resonance quality factors (Q) and hinder efficient sample access to the near-field electromagnetic hotspots. Besides, typical IR-transparent substrate materials with low refractive indices, such as CaF 2 , NaCl, KBr, and ZnSe, are usually either water-soluble, expensive, or not compatible with low-cost mass manufacturing processes. Here, we present novel free-standing Si-membrane mid-IR metasurfaces with strong light-trapping capabilities in accessible air voids. We employ the Brillouin zone folding technique to excite tunable, high-Q quasi-bound states in the continuum (qBIC) resonances with our highest measured Q-factor of 722. Leveraging the strong field localizations in accessible air cavities, we demonstrate VSC with multiple quantities of PMMA molecules and the qBIC modes at various detuning frequencies. Our new approach of fabricating mid-IR metasurfaces into semiconductor membranes enables scalable manufacturing of mid-IR photonic devices and provides exciting opportunities for quantum-coherent light-matter interactions, biochemical sensing, and polaritonic chemistry. The authors introduce a mid-IR metasurface fabricated by decorating a free-standing Si-membrane with air holes. The enhanced light-matter interactions in such air cavities enable vibrational strong coupling and advanced biochemical sensing.

infrared spectroscopy↗
DOE OSTI2020

Temporospatial shifts in the human gut microbiome and metabolome after gastric bypass surgery

Although the etiology of obesity is not well-understood, genetic, environmental, and microbiome elements are recognized as contributors to this rising pandemic. For morbid obesity, Roux-en-Y gastric bypass (RYGB) surgery alters the fecal microbiome, but data are sparse on temporal and spatial changes in the microbiome and metabolome. We characterized the structure and metabolism of the microbial communities in the gut lumen and on mucosal surfaces in morbidly obese individuals before and after RYGB surgery, and we compared our longitudinal cohort to a previously studied cross-sectional one. RYGB concurrently changed the gut microbiome and led to improvements of obesity comorbidities. Changes in the gut microbiome were reflected in the metabolome, including fermentation products and bile acids. The effects persisted 12 months post-surgery, and the microbiomes and metabolomes were similar to those found for the cross-sectional RYGB cohort. Thus, RYGB surgery had profound and persistent impacts on the intestinal microbiome and metabolome.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Colossal magnetoresistance in a nonsymmorphic antiferromagnetic insulator

Here we investigate antiferromagnetic Eu 5 In 2 Sb 6 , a nonsymmorphic Zintl phase. Our electrical transport data show that Eu 5 In 2 Sb 6 is remarkably insulating and exhibits an exceptionally large negative magnetoresistance, which is consistent with the presence of magnetic polarons. From ab initio calculations, the paramagnetic state of Eu 5 In 2 Sb 6 is a topologically nontrivial semimetal within the generalized gradient approximation (GGA), whereas an insulating state with trivial topological indices is obtained using a modified Becke–Johnson potential. Notably, GGA + U calculations suggest that the antiferromagnetic phase of Eu 5 In 2 Sb 6 may host an axion insulating state. Our results provide important feedback for theories of topological classification and highlight the potential of realizing clean magnetic narrow-gap semiconductors in Zintl materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unusual 5f magnetism in new kagome material UV 6 Sn 6

Materials in the family R V 6 Sn 6 (R = rare earth) provide a unique platform to investigate the interplay between local moments from R layers and nonmagnetic vanadium kagome layers. Yet, the investigation of actinide members remains scarce. Here we report the synthesis of UV 6 Sn 6 single crystals through the self-flux technique. Physical property measurements reveal two uranium-driven antiferromagnetic transitions at T N 1 = 29 K and T N 2 = 24 K, a complex field-temperature phase diagram, and unusual negative domain-wall magnetoresistance. Specific heat and angle-resolved photoemission spectroscopy measurements show a moderate f -electron enhancement to the density of states at the Fermi level (EF), whereas our band structure calculations place the vanadium flat bands 0.25 eV above E F . These findings point to a materials opportunity to expand the uranium 166 family with the goal of enhancing correlations by tuning 5 f and 3 d flat bands to E F .

36 MATERIALS SCIENCE↗
DOE OSTI2021

HAWC observations of the acceleration of very-high-energy cosmic rays in the Cygnus Cocoon

We report cosmic rays with energies up to a few PeV are known to be accelerated within the Milky Way. Traditionally, it has been presumed that supernova remnants were the main source of these very-high-energy cosmic rays, but theoretically it is difficult to accelerate protons to PeV energies and observationally there simply is no evidence of the remnants being sources of hadrons with energies above a few tens of TeV. One possible source of protons with those energies is the Galactic Centre region9. Here, we report observations of 1–100 TeV γ rays coming from the ‘Cygnus Cocoon’, which is a superbubble that surrounds a region of massive star formation. These γ rays are likely produced by 10–1,000 TeV freshly accelerated cosmic rays that originate from the enclosed star-forming region Cyg OB2. Until now it was not known that such regions could accelerate particles to these energies. The measured flux likely originates from hadronic interactions. The spectral shape and the emission profile of the Cocoon changes from GeV to TeV energies, which reveals the transport of cosmic particles and historical activity in the superbubble.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A deep generative model for deciphering cellular dynamics and in silico drug discovery in complex diseases

Human diseases are characterized by intricate cellular dynamics. Single-cell transcriptomics provides critical insights, yet a persistent gap remains in computational tools for detailed disease progression analysis and targeted in silico drug interventions. Here we introduce UNAGI, a deep generative neural network tailored to analyse time-series single-cell transcriptomic data. This tool captures the complex cellular dynamics underlying disease progression, enhancing drug perturbation modelling and screening. When applied to a dataset from patients with idiopathic pulmonary fibrosis, UNAGI learns disease-informed cell embeddings that sharpen our understanding of disease progression, leading to the identification of potential therapeutic drug candidates. Validation using proteomics reveals the accuracy of UNAGI’s cellular dynamics analysis, and the use of the fibrotic cocktail-treated human precision-cut lung slices confirms UNAGI’s predictions that nifedipine, an antihypertensive drug, may have anti-fibrotic effects on human tissues. UNAGI’s versatility extends to other diseases, including COVID, demonstrating adaptability and confirming its broader applicability in decoding complex cellular dynamics beyond idiopathic pulmonary fibrosis, amplifying its use in the quest for therapeutic solutions across diverse pathological landscapes.

Neural Network↗
DOE OSTI2026

Phenogenomics reveals the ecology and evolution of Trichoderma fungi for sustainable agriculture

Trichoderma fungi support sustainable agriculture by suppressing plant diseases and improving crop performance. However, emerging pathogenicity of Trichoderma warrants further ecological and genetic characterization. Here we used machine learning to correlate genomic data from 37 Trichoderma strains with over 140 phenotypic traits, spanning metabolic versatility, biotic interactions, stress tolerance and reproductive strategies. We determined Trichoderma to be an ancient, genetically cohesive and physiologically diverse genus with spores capable of germination in water and dispersal via air and water droplets. Metabolic preferences indicate universal adaptation to mycoparasitism and to niches like arboreal microbial mats, alongside broader saprotrophic versatility. Our analyses are consistent with character displacement among close relatives and convergent evolution in distant lineages, with both processes shaping ecological plasticity and traits including dispersal modes, terrestrialization or endophytism. Our findings reveal that while some Trichoderma species show traits of biosafety concern, its vast ecophysiological diversity enables the development of safe, targeted bioeffectors.

Steindorff, Andrei S. [USDOE Joint Genome Institut↗