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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Topologically trivial gap-filling in superconducting Fe(Se,Te) by one-dimensional defects

Abstract Structural distortions and imperfections are a crucial aspect of materials science, on the macroscopic scale providing strength, but also enhancing corrosion and reducing electrical and thermal conductivity. At the nanometre scale, multi-atom imperfections, such as atomic chains and crystalline domain walls have conversely been proposed as a route to topological superconductivity, whose most prominent characteristic is the emergence of Majorana Fermions that can be used for error-free quantum computing. Here, we shed more light on the nature of purported domain walls in Fe(Se,Te) that may host 1D dispersing Majorana modes. We show that the displacement shift of the atomic lattice at these line-defects results from sub-surface impurities that warp the topmost layer(s). Using the electric field between the tip and sample, we manage to reposition the sub-surface impurities, directly visualizing the displacement shift and the underlying defect-free lattice. These results, combined with observations of a completely different type of 1D defect where superconductivity remains fully gapped, highlight the topologically trivial nature of 1D defects in Fe(Se,Te).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Non-thermal emission in gap-mode plasmon photoluminescence

Abstract Photoluminescence from spatially inhomogeneous plasmonic nanostructures exhibits fascinating wavelength-dependent nonlinear behaviors due to the intraband recombination of hot electrons excited into the conduction band of the metal. The properties of the excited carrier distribution and the role of localized plasmonic modes are subjects of debate. In this work, we use plasmonic gap-mode resonators with precise nanometer-scale confinement to show that the nonlinear photoluminescence behavior can become dominated by non-thermal contributions produced by the excited carrier population that strongly deviates from the Fermi-Dirac distribution due to the confinement-induced large-momentum free carrier absorption beyond the dipole approximation. These findings open new pathways for controllable light conversion using nonequilibrium electron states at the nanoscale.

Science & Technology - Other Topics↗
DOE OSTI2025

Gapped commensurate antiferromagnetic response in a strongly underdoped model cuprate superconductor

It is a distinct possibility that spin fluctuations are the pairing interactions in numerous unconventional superconductors. In the high-transition-temperature (high-T c ) cuprates, superconductivity emerges upon doping antiferromagnetic Mott insulators, and spin fluctuations might furthermore drive unusual pseudogap phenomena. Here we use magnetic neutron scattering to study the highly underdoped cuprate HgBa 2 CuO 4+δ (hole concentration p ≈ 0.064). In contrast to prior results for other underdoped cuprates, we find no evidence of incommensurate magnetic order associated with spin-density-wave or stripe correlations. Instead, the antiferromagnetic response in both the superconducting and pseudogap states is gapped below Δ AF ≈ 6 meV, commensurate over a wide energy range, and disperses above about 55 meV. Given the pristine nature of HgBa 2 CuO 4+δ , which exhibits high structural symmetry and minimal point disorder effects, this behavior likely signifies the unmasked response of the underlying CuO 2 planes near the Mott-insulating state. These results serve as a benchmark for a refined theoretical understanding of the cuprates.

Materials science↗
DOE OSTI2023

Gray matter volume drives the brain age gap in schizophrenia: a SHAP study

Neuroimaging-based brain age is a biomarker that is generated by machine learning (ML) predictions. The brain age gap (BAG) is typically defined as the difference between the predicted brain age and chronological age. Studies have consistently reported a positive BAG in individuals with schizophrenia (SCZ). However, there is little understanding of which specific factors drive the ML-based brain age predictions, leading to limited biological interpretations of the BAG. We gathered data from three publicly available databases - COBRE, MCIC, and UCLA - and an additional dataset (TOPSY) of early-stage schizophrenia (82.5% untreated first-episode sample) and calculated brain age with pre-trained gradient-boosted trees. Then, we applied SHapley Additive Explanations (SHAP) to identify which brain features influence brain age predictions. We investigated the interaction between the SHAP score for each feature and group as a function of the BAG. These analyses identified total gray matter volume (group × SHAP interaction term β = 1.71 [0.53; 3.23]; p corr < 0.03) as the feature that influences the BAG observed in SCZ among the brain features that are most predictive of brain age. Other brain features also presented differences in SHAP values between SCZ and HC, but they were not significantly associated with the BAG. We compared the findings with a non-psychotic depression dataset (CAN-BIND), where the interaction was not significant. This study has important implications for the understanding of brain age prediction models and the BAG in SCZ and, potentially, in other psychiatric disorders.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Confronting the water potential information gap

Water potential directly controls the function of leaves, roots and microbes, and gradients in water potential drive water flows throughout the soil–plant–atmosphere continuum. Notwithstanding its clear relevance for many ecosystem processes, soil water potential is rarely measured in situ, and plant water potential observations are generally discrete, sparse, and not yet aggregated into accessible databases. These gaps limit our conceptual understanding of biophysical responses to moisture stress and inject large uncertainty into hydrologic and land-surface models. Here, we outline the conceptual and predictive gains that could be made with more continuous and discoverable observations of water potential in soils and plants. We discuss improvements to sensor technologies that facilitate in situ characterization of water potential, as well as strategies for building new networks that aggregate water potential data across sites. Here, we end by highlighting novel opportunities for linking more representative site-level observations of water potential to remotely sensed proxies. Together, these considerations offer a road map for clearer links between ecohydrological processes and the water potential gradients that have the ‘potential’ to substantially reduce conceptual and modelling uncertainties.

58 GEOSCIENCES↗
DOE OSTI2020

Proximity-induced superconducting gap in the quantum spin Hall edge state of monolayer WTe2

The quantum spin Hall insulator is characterized by a bandgap in the two-dimensional (2D) interior and helical 1D edge states 1 , 2 , 3 . Inducing superconductivity in the helical edge state results in a 1D topological superconductor, a highly sought-after state of matter at the core of many proposals for topological quantum computing 4 . In the present study, we report the coexistence of superconductivity and the quantum spin Hall edge state in a van der Waals heterostructure, by placing a monolayer of 1T'-WTe 2 , a quantum spin Hall insulator 1 , 2 , 3 , on a van der Waals superconductor, NbSe 2 . Using scanning tunnelling microscopy and spectroscopy (STM/STS), we demonstrate that the WTe 2 monolayer exhibits a proximity-induced superconducting gap due to the underlying superconductor and that the spectroscopic features of the quantum spin Hall edge state remain intact. Taken together, these observations provide conclusive evidence for proximity-induced superconductivity in the quantum spin Hall edge state in WTe 2 , a crucial step towards realizing 1D topological superconductivity and Majorana bound states in this van der Waals material platform.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Floquet–Bloch manipulation of the Dirac gap in a topological antiferromagnet

Floquet–Bloch manipulation, achieved by driving a material periodically with a laser pulse, is a method that enables the engineering of electronic and magnetic phases in solids by effectively modifying the structure of their electronic bands. However, the application of Floquet–Bloch manipulation in topological magnetic systems, particularly those with inherent disorder, remains largely unexplored. Here, in this study, we realize Floquet–Bloch manipulation of the Dirac surface-state mass of the topological antiferromagnet MnBi 2 Te 4 . Using time- and angle-resolved photoemission spectroscopy, we show that opposite helicities of mid-infrared circularly polarized light result in substantially different Dirac mass gaps in the antiferromagnetic phase, despite the equilibrium Dirac cone being massless. We explain our findings in terms of a Dirac fermion with a random mass. Our results underscore Floquet–Bloch manipulation as a powerful tool for controlling topology, even in the presence of disorder, and for uncovering properties of materials that may elude conventional probes.

42 ENGINEERING↗
DOE OSTI2020

Imaging the energy gap modulations of the cuprate pair-density-wave state

The defining characteristic of Cooper pairs with finite center-of-mass momentum is a spatially modulating superconducting energy gap Δ(r). Recently, this concept has been generalized to the pair density wave (PDW) state predicted to exist in cuprates. Although the signature of a cuprate PDW has been detected in Cooperpair tunneling, the distinctive signature in single-electron tunneling of a periodic Δ(r) modulation has never been observed. Here, using a new approach, we discover strong Δ(r) modulations in Bi 2 Sr 2 CaCu 2 O 8+δ that have eight-unit-cell periodicity or wavevectors Q ≈ (2π/a0)(1/8, 0) and Q ≈ (2π/a0)(0, 1/8). Simultaneous imaging of the localdensity- of-states N(r, E) reveals electronic modulations with wavevectors Q and 2Q, as anticipated when the PDW coexists with superconductivity. Finally, by visualizing the topological defects in these N(r, E) density waves at 2Q, we discover them to be concentrated in areas where the PDW spatial phase changes by !, as predicted by the theory of half-vortices in a PDW state. Overall, this is a compelling demonstration, from multiple single-electron signatures, of a PDW state coexisting with superconductivity in the canonical cuprate Bi 2 Sr 2 CaCu 2 O 8+δ .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic flux noise in superconducting qubits and the gap states continuum

In the present study we investigate the selected local aspects of the metal-induced gap states (MIGSs) at the disordered metal–insulator interface, that were previously proposed to produce magnetic moments responsible for the magnetic flux noise in some of the superconducting qubit modalities. Our analysis attempts to supplement the available studies and provide new theoretical contribution toward their validation. In particular, we explicitly discuss the behavior of the MIGSs in the momentum space as a function of the onsite energy deviation, that mimics random potential disorder at the interface in the local approximation. It is found, that when the difference between the characteristic electronic potentials in the insulator increases, the corresponding MIGSs become more localized. This effect is associated with the increasing degree of the potential disorder that was earlier observed to produce highly localized MIGSs in the superconducting qubits. At the same time, the presented findings show that the disorder-induced localization of the MIGSs can be related directly to the decay characteristics of these states as well as to the bulk electronic properties of the insulator. As a result, our study reinforces plausibility of the previous corresponding investigations on the origin of the flux noise, but also allows to draw future directions toward their better verification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Continuity of reaction kinetics across the pressure and materials gaps in CO oxidation on FeO–Pt interfaces

Translating atomic-scale insights from surface science studies of model catalysts to practical powder catalysts remains a persistent challenge in heterogeneous catalysis. Here, in this study, we demonstrate mechanistic continuity across the pressure and materials gaps during CO oxidation at the FeO-Pt interface using in situ microscopy, spectroscopy and computational modelling. Under reaction conditions, coordinatively unsaturated Fe (Fe cus ) sites at the interface enable selective O 2 activation on CO-saturated surfaces, circumventing the CO-poisoning limitation of platinum-group metals. We identify parallel reaction pathways involving the *O 2 -*CO intermediate. Remarkably, activation energies remain consistent at 12-15 kJ mol −1 (0.12-0.16 eV) from ultrahigh vacuum to atmospheric pressures and from FeO/Pt(111) model catalysts to FeO/Pt powder catalysts, validating mechanistic insights derived from surface science studies. Our findings show an example of bridging the long-standing divide between model and practical catalyst systems, establishing an effective approach to capture catalytic behaviours under operational conditions and advancing mechanism-driven catalyst design.

03 NATURAL GAS↗
DOE OSTI2024

Bridging the gap between academic research and industrial development in advanced all-solid-state lithium–sulfur batteries

The energy storage and vehicle industries are heavily investing in advancing all-solid-state batteries to overcome critical limitations in existing liquid electrolyte-based lithium-ion batteries, specifically focusing on mitigating fire hazards and improving energy density. All-solid-state lithium–sulfur batteries (ASSLSBs), featuring earth-abundant sulfur cathodes, high-capacity metallic lithium anodes, and non-flammable solid electrolytes, hold significant promise. Despite these appealing advantages, persistent challenges like sluggish sulfur redox kinetics, lithium metal failure, solid electrolyte degradation, and manufacturing complexities hinder their practical use. Further, to facilitate the transition of these technologies to an industrial scale, bridging the gap between fundamental scientific research and applied R&D activities is crucial. Our review will address the inherent challenges in cell chemistries within ASSLSBs, explore advanced characterization techniques, and delve into innovative cell structure designs. Furthermore, we will provide an overview of the recent trends in R&D and investment activities from both academia and industry. Building on the fundamental understandings and significant progress that has been made thus far, our objective is to motivate the battery community to advance ASSLSBs in a practical direction and propel the industrialized process.

25 ENERGY STORAGE↗
DOE OSTI2023

Understanding and controlling lithium morphology in solid polymer and gel polymer systems: mechanisms, strategies, and gaps

Lithium metal anode promises the highest theoretical energy density and may enable high energy designs such as lithium–sulfur and lithium–air batteries. However, stable lithium plating and stripping remains a challenge in all electrolyte systems including liquids, polymers, and ceramic electrolytes. In this perspective, we examine literature studies of lithium morphologies in solid polymer and gel polymer systems and compare that with well-studied liquid electrolytes. In solid polymer electrolytes, current density and mechanical properties are both governing parameters for lithium morphology, differing from conventional liquid electrolytes. Stable lithium electrodeposition may be accomplished by a polymer electrolyte with good stiffness operating at significantly lower current densities than its limiting current density, which is defined by the Sand equation. In gel polymer electrolytes, the reported lithium morphology is more similar to that in liquid electrolytes, suggesting similar nucleation and growth mechanisms. Based on experimental evidence and theoretical guidance, current strategies to control lithium morphology in solid polymer and gel polymer electrolytes are summarized. The limitations of these strategies are discussed. In particular, we note the knowledge gap in understanding the solid electrolyte interphase in solid polymer systems and the critical role it can play in regulating lithium morphologies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Low-frequency electrochemical pulsing to manage flooding and salt precipitation in zero-gap CO 2 -to-ethylene electrolyzers

The electrochemical reduction of carbon dioxide (CO 2 ) to ethylene presents a promising route for utilizing exhaust gases to produce value-added chemicals with broad manufacturing applications. While zero-gap electrolyzer architectures show great potential to enable commercial-scale CO 2 -to-ethylene conversion, their performance is often limited by failure within the first 100 hours. In this work, we demonstrate that a low-frequency electrochemical pulsing protocol effectively mitigates carbonate salt precipitation and flooding by managing water transport to and through the cathode gas diffusion electrode and associated flow fields. Operando neutron imaging further reveals the dynamics of water crossover and flooding, emphasizing the intricate interplay between electrochemical operation and ionic transport. By mitigating short-term flooding and salt precipitation failure modes, this study establishes a foundation for understanding long-term degradation mechanisms and advancing the practical viability of CO 2 electrolyzers for industrial-scale applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bounds of linear time‐varying systems with applications to quantify model gap of synchronous generators

Abstract Linear time‐varying (LTV) systems play a key role in many engineering problems, for example, trajectory sensitivity analysis of power systems. Because LTV systems do not generally have closed‐form solutions, estimates of their bounds are crucial to their analysis. In this paper, bounds for LTV systems with known inputs and unknown but bounded inputs are obtained via Grönwall's inequality. The estimated bounds are then used to quantify the gap between synchronous generators and their models in different scenarios through simulation.

42 ENGINEERING↗