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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Crystal Orientation Independent Strong TERS Response in Anisotropic ReS2 on Gold

Rhenium disulfide (ReS2) crystallizes in a distorted 1T' lattice with triclinic symmetry arising from Re–Re dimerization, which produces in-plane anisotropic properties and a dense set of Raman-active modes with mixed atomic displacements. Unlike far-field Raman spectroscopy, which shows strong polarization and orientation dependence, tip-enhanced Raman spectroscopy (TERS) probes out-of-plane Raman tensor components. Here we use 785 nm (1.58 eV) gap-mode TERS to investigate monolayer to four-layer thick ReS2 crystals.. TERS maps and averaged spectra reveal that all modes remain invariant under 90° rotation of the crystal, and the only thickness-dependent feature is the emergence of the multilayer breathing mode. These results demonstrate that TERS yields a crystal-orientation-independent Raman response in ReS2 and provides direct access to Raman tensor components that are not easily accessible in conventional far-field measurements.

Valencia Acuna, Pavel A.↗
DOE OSTI2023

Antireflective Multi‐Dielectric Metasurfaces Operating in the Visible

Abstract As increasingly more demanding photonics applications are brought on‐chip, more complex design solutions are employed to deliver enhanced performance: e.g., meta‐molecules, inverse‐designed freeform structures, and multilayer metasurfaces. Instead, this study introduces anti‐reflective metasurfaces fabricated in a single nanolithography step that follows deposition of multiple dielectrics onto a substrate. Anti‐reflective metasurfaces offer fundamentally better transmission efficiencies compared to conventional equivalents. Conventional and anti‐reflective metalenses, both fabricated in the Ta 2 O 5 /SiO 2 material platform for 461 nm operation, show an improvement in focusing efficiencies from ≈ 55% to ≈ 90% at low numerical apertures and from ≈ 35% to ≈ 65% at high numerical apertures. Simulations of ideal and imperfect metalenses indicate that anti‐reflective metasurfaces not only improve transmission at the design library level, but also reduce spurious diffraction and protect against higher‐order scattering.

Optics↗
DOE OSTI2021

Near surface defects: Cause of deficit between internal and external open-circuit voltage in solar cells

The presence of interface recombination in a complex multilayered thin-film solar structure causes a disparity between the internal open-circuit voltage (V OC,in ), measured by photoluminescence, and the external open-circuit voltage (V OC,ex ) i.e. an additional V OC deficit. Higher V OC,ex value aim require a comprehensive understanding of connection between V OC deficit and interface recombination. Here, a deep near-surface defect model at the absorber/buffer interface is developed for copper indium di-selenide solar cells grown under Cu excess conditions to explain the disparity between V OC ,in and V OC,ex . The model is based on experimental analysis of admittance spectroscopy and deep-level transient spectroscopy, which show the signature of deep acceptor defect. Further, temperature-dependent current-voltage measurements confirm the presence of near surface defects as the cause of interface recombination. The numerical simulations show strong decrease in the local V OC ,in near the absorber/buffer interface leading to a V OC deficit in the device. This loss mechanism leads to interface recombination without a reduced interface bandgap or Fermi level pinning. Further, these findings demonstrate that the V OC ,in measurements alone can be inconclusive and might conceal the information on interface recombination pathways, establishing the need for complementary techniques like temperature dependent current voltage measurements to identify the cause of interface recombination in the devices.

14 SOLAR ENERGY↗
DOE OSTI2020

Permanently Magnetized Insulating Thin-Film Devices by Reduction

A reduction-based manufacturing process for creating technologically important multilayer structures from lattice-matched ferromagnetic insulators and ferromagnetic conductors is reported. The process is demonstrated by growing a permanently magnetized double-layer structure, consisting of lattice-matched conducting (Ni,Co) and insulating (Ni 0.4 Co 0.6 ) 3 O 3 layers, through a single deposition cycle. The orientation of the metal cation network is preserved after reduction. Close-packing displacements of Ni and Co take place in such a manner that the in-plane hexagonal arrangement is preserved. This is critical for ensuring high-quality interfaces joining the layers. At room temperature the hysteresis loop is centered. At low temperature the oxide layer becomes ferrimagnetically ordered, accompanied by a shift of the hysteresis loop along the magnetic field axis. The shift is assigned to exchange bias phenomenon. Biaxial compressive strain is responsible for the required ferrimagnetic ordering. Finally, spin valves and closely related magnetoresistance random access memory and spin-transfer-torque magnetic random access memory devices are addressed as potential applications.

42 ENGINEERING↗
DOE OSTI2024

Optical Properties of Low‐Defect Large‐Area Hexagonal Boron Nitride for Quantum Applications

Intrinsic defects and their concentrations in hexagonal boron nitride (h-BN) play a key role in single-photon emission. In this study, the optical properties of large-area multilayer h-BN-on-sapphire grown by metal-organic chemical vapor deposition are explored. Based on the detailed spectroscopic characterization using both cathodoluminescence (CL) and photoluminescence (PL) measurements, the material is devoid of random single-point defects instead of a few clustered complex defects. The emission spectra of the measurements confirm a record-low-defect concentration of ≈10 4 cm −2 . Post-annealing, no significant changes are observed in the measured spectra and the defect concentrations remain unaltered. Through CL and PL spectroscopy, an optically active boron vacancy spin defect is identified and a novel complex defect combination arising from carbon impurities is revealed. This complex defect, previously unreported, signifies a unique aspect of the material. In these findings, the understanding of defect-induced optical properties in h-BN films is contributed, providing insights for potential applications in quantum information science.

42 ENGINEERING↗
DOE OSTI2018

Polymer Nanosheet Containing Star‐Like Copolymers: A Novel Scalable Controlled Release System

Abstract Poly(ε‐caprolactone) (PCL)‐based nanomaterials, such as nanoparticles and liposomes, have exhibited great potential as controlled release systems, but the difficulties in large‐scale fabrication limit their practical applications. Among the various methods being developed to fabricate polymer nanosheets (PNSs) for different applications, such as Langmuir–Blodgett technique and layer‐by‐layer assembly, are very effort consuming, and only a few PNSs can be obtained. In this paper, poly(ε‐caprolactone)‐based PNSs with adjustable thickness are obtained in large quantity by simple water exposure of multilayer polymer films, which are fabricated via a layer multiplying coextrusion method. The PNS is also demonstrated as a novel controlled guest release system, in which release kinetics are adjustable by the nanosheet thickness, pH values of the media, and the presence of protecting layers. Theoretical simulations, including Korsmeyer–Peppas model and Finite‐element analysis, are also employed to discern the observed guest‐release mechanisms.

Cao, Peng‐Fei↗
DOE OSTI2020

Analysis of the Stable Interphase Responsible for the Excellent Electrochemical Performance of Graphite Electrodes in Sodium-Ion Batteries

Considerable efforts have been exerted to understand the formation and properties of the solid electrolyte interphase (SEI) in sodium ion batteries. However, the puzzling existence and role of SEI behind the huge volume changes of the graphite electrodes need to be answered. Herein, the reason of how ether-derived SEI maintains excellent reversibility despite the huge volume changes during cycling is unraveled. Theoretical simulations and Fourier-transform infrared spectroscopy demonstrate the formation mechanism of an SEI between the graphite anode and electrolyte. Furthermore, the high mechanical tolerance of the ether-derived SEI is confirmed in atomic force microscopy. A depth profile of X-ray photoelectron spectroscopy points to a multilayer structure of the ether-derived SEI. The outer layer comprises organics (sodium alkoxide), while the inorganics (Na 2 CO 3 , NaF) in interior region are mixed with some organics. Notably, the presence of organics ensures the adaptability of the SEI to the volume expansion of graphite during cycling, and the concentrated distribution of inorganics improves the Young's modulus (resistance to deformation). Therefore, the graphite anode exhibits high cycle stability (96.6% capacity retention ratio at 1 A g –1 over 860 cycles) and efficiency (≈99.5%).

25 ENERGY STORAGE↗
DOE OSTI2023

Photonics in Multimaterial Lateral Heterostructures Combining Group IV Chalcogenide van der Waals Semiconductors

Abstract Lateral heterostructures combining two multilayer group IV chalcogenide van der Waals semiconductors have attracted interest for optoelectronics, twistronics, and valleytronics, owing to their structural anisotropy, bulk‐like electronic properties, enhanced optical thickness, and vertical interfaces enabling in‐plane charge manipulation/separation, perpendicular to the trajectory of incident light. Group IV monochalcogenides support propagating photonic waveguide modes, but their interference gives rise to complex light emission patterns throughout the visible/near‐infrared range both in uniform flakes and single‐interface lateral heterostructures. Here, this work demonstrates the judicious integration of pure and alloyed monochalcogenide crystals into multimaterial heterostructures with unique photonic properties, notably the ability to select photonic modes with targeted discrete energies through geometric factors rather than band engineering. SnS‐GeS 1− x Se x ‐GeSe‐GeS 1− x Se x heterostructures with a GeS 1− x Se x active layer sandwiched laterally between GeSe and SnS, semiconductors with similar optical constants but smaller bandgaps, were designed and realized via sequential vapor transport synthesis. Raman spectroscopy, electron microscopy/diffraction, and energy‐dispersive X‐ray spectroscopy confirm a high crystal quality of the laterally stitched components with sharp interfaces. Nanometer‐scale cathodoluminescence spectroscopy provides evidence for a facile transfer of electron–hole pairs across the lateral interfaces and demonstrates the selection of photon emission at discrete energies in the laterally embedded active (GeS 1− x Se x ) part of the heterostructure.

2D layered crystals↗
DOE OSTI2024

Evidence of Directional Structural Superlubricity and Lévy Flights in a van der Waals Heterostructure

Abstract Structural superlubricity is a special frictionless contact in which two crystals are in incommensurate arrangement such that relative in‐plane translation is associated with vanishing energy barrier crossing. So far, it has been realized in multilayer graphene and other van der Waals (2D crystals with hexagonal or triangular crystalline symmetries, leading to isotropic frictionless contacts. Directional structural superlubricity, to date unrealized in 2D systems, is possible when the reciprocal lattices of the two crystals coincide in one direction only. Here, directional structural superlubricity a α‐bismuthene/graphite van der Waals system is evidenced, manifested by spontaneous hopping of the islands over hundreds of nanometers at room temperature, resolved by low‐energy electron microscopy and supported by registry simulations. Statistical analysis of individual and collective α‐bismuthene islands populations reveal a heavy‐tailed distribution of the hopping lengths and sticking times indicative of Lévy flight dynamics, largely unobserved in condensed‐matter systems.

Le Ster, Maxime↗
DOE OSTI2026

Decoding α-MoC 1− x Nanoparticle Formation in Continuous Flow via Machine Learning

Molybdenum carbide nanoparticles (α-MoC 1−x NPs) are promising catalysts that offer noble-metal-like performance at lower cost. We report a mild continuous-flow synthesis of α-MoC 1−x NPs from Mo(CO) 6 , coupled with in-line spectroscopic monitoring and machine learning (ML)-based analysis to quantify precursor conversion and product formation in real time. A multilayer perceptron ML model was found to accurately deconvolute complex, nonlinear spectral patterns, enabling identification of a two-step reaction pathway, involving precursor conversion to an amorphous intermediate followed by intraparticle crystallization to α-MoC 1−x NPs, with the first step being rate limiting. Ex situ small angle X-ray scattering (SAXS) and X-ray diffraction (XRD) validation confirm the predicted concentration profiles and crystallization behavior. This integrated approach showcases how ML can empower insights into NP nucleation and growth, paving the way for self-driving, flow-based platforms for NP synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Electrochemical Intercalation and Exfoliation of CrSBr into Ferromagnetic Fibers and Nanoribbons

Abstract Recent studies dedicated to layered van der Waals crystals have attracted significant attention to magnetic atomically thin crystals offering unprecedented opportunities for applications in innovative magnetoelectric, magneto‐optic, and spintronic devices. The active search for original platforms for the low‐dimensional magnetism study has emphasized the entirely new magnetic properties of two dimensional (2D) semiconductor CrSBr. Herein, for the first time, the electrochemical exfoliation of bulk CrSBr in a non‐aqueous environment is demonstrated. Notably, crystal cleavage governed by the structural anisotropy occurred along two directions forming atomically thin and few‐layered nanoribbons. The exfoliated material possesses an orthorhombic crystalline structure and strong optical anisotropy, showing the polarization dependencies of Raman signals. The antiferromagnetism exhibited by multilayered CrSBr gives precedence to ferromagnetic ordering in the revealed CrSBr nanostructures. Furthermore, the potential application of CrSBr nanoribbons is pioneered for electrochemical photodetector fabrication and demonstrates its responsivity up to 30 µA cm −2 in the visible spectrum. Moreover, the CrSBr‐based anode for lithium‐ion batteries exhibited high performance and self‐improving abilities. This anticipates that the results will pave the way toward the future study of CrSBr and practical applications in magneto‐ and optoelectronics.

Chemistry↗
DOE OSTI2024

Physical signatures of fermion-coupled axion dark matter

In the presence of axion dark matter, fermion spins experience an “axion wind” torque and an “axioelectric” force. We investigate new experimental probes of these effects and find that magnetized analogs of multilayer dielectric haloscopes can explore orders of magnitude of new parameter space for the axion-electron coupling. We also revisit the calculation of axion absorption into in-medium excitations, showing that axioelectric absorption is screened in spin-polarized targets, and axion wind absorption can be characterized in terms of a magnetic energy loss function. Finally, our detailed theoretical treatment allows us to critically examine recent claims in the literature. We find that axioelectric corrections to electronic energy levels are smaller than previously estimated and that the purported electron electric dipole moment due to a constant axion field is entirely spurious.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for pair production of vector-like quarks in leptonic final states in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search is presented for vector-like T and B quark-antiquark pairs produced in proton-proton collisions at a center-of-mass energy of 13 TeV. Data were collected by the CMS experiment at the CERN LHC in 2016–2018, with an integrated luminosity of 138 fb$^{−1}$. Events are separated into single-lepton, same-sign charge dilepton, and multi-lepton channels. In the analysis of the single-lepton channel a multilayer neural network and jet identification techniques are employed to select signal events, while the same-sign dilepton and multilepton channels rely on the high-energy signature of the signal to distinguish it from standard model backgrounds. The data are consistent with standard model background predictions, and the production of vector-like quark pairs is excluded at 95% confidence level for T quark masses up to 1.54 TeV and B quark masses up to 1.56 TeV, depending on the branching fractions assumed, with maximal sensitivity to decay modes that include multiple top quarks. The limits obtained in this search are the strongest limits to date for $ \textrm{T}\overline{\textrm{T}} $ production, excluding masses below 1.48 TeV for all decays to third generation quarks, and are the strongest limits to date for $ \textrm{B}\overline{\textrm{B}} $ production with B quark decays to tW.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Artificial neural network in cosmic landscape

In this study we propose that artificial neural network, the basis of machine learning, is useful to generate the inflationary landscape from a cosmological point of view. Traditional numerical simulations of a global cosmic landscape typically need an exponential complexity when the number of fields is large. However, a basic application of artificial neural network could solve the problem based on the universal approximation theorem of the multilayer perceptron. A toy model in inflation with multiple light fields is investigated numerically as an example of such an application.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

A priori analysis on deep learning of subgrid-scale parameterizations for Kraichnan turbulence

In the present study, we investigate different data-driven parameterizations for large eddy simulation of two-dimensional turbulence in the a priori settings. These models utilize resolved flow field variables on the coarser grid to estimate the subgrid-scale stresses. We use data-driven closure models based on localized learning that employs a multilayer feedforward artificial neural network with point-to-point mapping and neighboring stencil data mapping, and convolutional neural network fed by data snapshots of the whole domain. The performance of these data-driven closure models is measured through a probability density function and is compared with the dynamic Smagorinksy model (DSM). The quantitative performance is evaluated using the cross-correlation coefficient between the true and predicted stresses. We analyze different frameworks in terms of the amount of training data, selection of input and output features, their characteristics in modeling with accuracy, and training and deployment computational time. We also demonstrate computational gain that can be achieved using the intelligent eddy viscosity model that learns eddy viscosity computed by the DSM instead of subgrid-scale stresses. Here, we detail the hyperparameters optimization of these models using the grid search algorithm.

42 ENGINEERING↗
DOE OSTI2026

Process-driven roadmap for depositing super duplex stainless steel via wire Arc additive manufacturing

Here, this study systematically investigates the effects of shielding gas, bead spacing, weld mode, and travel speed on the phase balance, porosity, and hardness of wire arc additively manufactured (WAAM) super duplex stainless steel (ER2594). Robotic WAAM was employed to fabricate multilayer walls under systematically varied process conditions, followed by phase transformation simulations, X-ray computed tomography (XCT), electron backscatter diffraction (EBSD), and microhardness evaluation. Thermodynamic simulations predicted rapid cooling of AM process can suppress the potential formation of deleterious precipitates which was later validated via cross-sectional microstructure analyses of printed samples. XCT revealed porosity levels below 0.2% for all deposits, with reduced travel speed significantly lowering defect volume. Microstructural analyses revealed the evolution of various austenite precipitates, including grain boundary austenite (GBA), Widmanstätten austenite (WA), and intergranular austenite (IGA), sequentially upon cooling of the ferrite phase. Among all process parameters, weld transfer mode exhibited the strongest influence on phase balance; pulsed mode promoted higher ferrite retention (~ 36%) compared to RapidX mode. No consistent relationship between stabilized phase fraction and captured microhardness was observed. This work provides critical insights for optimizing WAAM parameters to control phase balance and mechanical performance, which is essential for producing high-integrity super duplex stainless-steel components for nuclear and marine applications.

Grain orientation↗
DOE OSTI2019

The pCONUS HPC: 30-Day and 180-Day In Vivo Biocompatibility Results

Background: Endovascular stents are commonly used during neurointerventional procedures; however, the concomitant use of dual anti-platelet treatment (DAPT) can limit their use. There is a need to develop stent coatings that mitigate requirement for DAPT. Methods: The hydrophilic polymer coating is a novel glycan-based multilayer polymer that inhibits platelet adhesion. After Institutional Animal Care and Use Committee approval, 18 New Zealand white rabbits (mean weight 4.02 ± 0.51 kg) were commenced on DAPT (ASA 10 mg/kg/day and clopidogrel 10 mg/kg/day). A bare nitinol pCONUS and coated pCONUS HPC were implanted into the common carotid arteries of each rabbit. Histological examinations were performed at 30 days (n = 9) and 180 days (n = 8) to assess the acute and chronic inflammatory reactions to the pCONUS HPC. Wilcoxon/Kruskal–Wallis and ANOVA were used with p value < 0.05 considered as significant. Results: There is no statistically significant difference in inflammation within the intima/media or adventitia at 30 days (p = 0.3901 and p = 1, respectively) or at 180 days (p = 0.144 and p = 1, respectively) between pCONUS and pCONUS HPC cohorts. There is no significant difference in the presence of granulomas or giant cells between the cohorts at either 30 days (p = 1 and p = 0.8363) or 180 days (p = 1.00 and p = 0.149). At 30 days and 180 days, there was near-complete endothelialisation of the stent struts and no significant difference between the pCONUS or pCONUS HPC (p = 0.7832 and p = 0.334, respectively). Conclusion: pCONUS HPC stents do not elicit an acute or chronic inflammatory response in vivo with no significant difference in the tissue response to bare nitinol pCONUS stents or pCONUS HPC stents.

62 RADIOLOGY AND NUCLEAR MEDICINE↗