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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Effect of electronic transitions on near edge optical properties of off-stoichiometric boron carbide thin films

In the present study, soft x-ray optical properties of off-stoichiometric boron carbide thin films are investigated, and the structure and chemical composition of the film is analyzed using angle dependent x-ray reflectivity and x-ray photoelectron spectroscopy techniques. Energy dependent soft x-ray reflectivity measured at a fixed grazing angle of 1.5° is used to determine the optical constants in the boron K edge region by applying the Kramers–Kronig technique. The measured optical constants show near edge fine features corresponding to σ* and π* resonances. Furthermore, the electronic transitions corresponding to σ* resonance cause a 40%–75% increase in the delta value in the above boron K edge region. The π* transitions corresponding to off-stoichiometric nature of the boron carbide are observed in the absorption spectra near ~ 192.7 eV. Details of the measured soft x-ray optical properties of the off-stoichiometric boron carbide thin film are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Robustness of helical edge states under edge reconstruction

Abstract The helical edge states of time-reversal invariant two-dimensional topological insulators are protected against backscattering in idealized models. In more realistic scenarios with a shallow confining potential at the sample boundary, additional strongly interacting edge states may arise, that could interfere with the topological protection of edge conduction. We find that interaction effects within the reconstructed edges are well described by the Luttinger liquid model. While interactions between this Luttinger liquid and the helical edge states can in principle give rise to dynamical spin polarization and the breaking of time-reversal symmetry, we demonstrate that random spin-orbit coupling strongly suppresses such dynamical spin polarization, resulting in the persistence of near quantized edge conduction.

John, Niels↗
DOE OSTI2026

Evidence of Chiral Fermion Edge Modes through Geometric Engineering of Thermal Hall Effect in 𝛼−RuCl 3

The experimental observation of half-integer-quantized thermal Hall conductivity in the Kitaev candidate material α-RuCl 3 has served as a signature of non-Abelian anyons through an associated chiral Majorana edge mode. However, both the reproducibility of the quantized thermal Hall conductivity and the fundamental nature of the associated heat carriers, whether bosonic or fermionic, are subjects of ongoing and vigorous debate. In a recent theoretical work, it was proposed that varying the sample geometry through creating constrictions can distinguish between different origins of the thermal Hall effect in magnetic insulators. Here, in this study, we provide experimental evidence of chiral fermion edge modes by comparing the thermal Hall effect of a geometrically constricted α-RuCl 3 sample with that of an unconstricted sample. In contrast to the unconstricted crystals where the thermal Hall signal fades below 5 K, the constricted crystals display a significant thermal Hall signal that remains measurable even at 2 K. This sharp difference agrees well with the theoretical prediction and provides compelling evidence for the contribution of chiral fermion edge modes to the thermal Hall effect in α-RuCl 3 . More broadly, this work confirms that the geometry dependence of the thermal Hall effect can help identify chiral spin liquids in candidate materials like α-RuCl 3 and paves the way for the experimental realization of thermal anyon interferometry.

Zhang, Heda [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2022

The study of contact properties in edge-contacted graphene–aluminum Josephson junctions

Transparent contact interfaces in superconductor–graphene hybrid systems are critical for realizing superconducting quantum applications. Here, we examine the effect of the edge contact fabrication process on the transparency of the superconducting aluminum–graphene junction. We show significant improvement in the transparency of our superconductor–graphene junctions by promoting the chemical component of the edge contact etch process. Our results compare favorably with state-of-the-art graphene Josephson junctions. The findings of our study contribute to advancing the fabrication knowledge of edge-contacted superconductor–graphene junctions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Effect of helium bubbles on the mobility of edge dislocations in copper

Abstract Helium bubbles can form in materials upon exposure to irradiation. It is well known that the presence of helium bubbles can cause changes in the mechanical behavior of materials. To improve the lifetime of nuclear components, it is important to understand deformation mechanisms in helium-containing materials. In this work, we investigate the interactions between edge dislocations and helium bubbles in copper using molecular dynamics (MD) simulations. We focus on the effect of helium bubble pressure (equivalently, the helium-to-vacancy ratio) on the obstacle strength of helium bubbles and their interaction with dislocations. Our simulations predict significant differences in the interaction mechanisms as a function of helium bubble pressure. Specifically, bubbles with high internal pressure are found to exhibit weaker obstacle strength as compared to low-pressure bubbles of the same size due to the formation of super-jogs in the dislocation. Activation energies and rate constants extracted from the MD data confirm this transition in mechanism and enable upscaling of these phenomena to higher length-scale models.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Engineering a non-Hermitian second-order topological insulator state in quasicrystals

Non-Hermitian topological phases have gained immense attention due to their potential to unlock novel features beyond Hermitian bounds. PT -symmetric (parity time-reversal symmetric) non-Hermitian models have been studied extensively over the past decade. In recent years, the topological properties of general non-Hermitian models, regardless of the balance between gains and losses, have also attracted vast attention. Here, we propose a non-Hermitian second-order topological (SOT) insulator that hosts gapless corner states on a two-dimensional quasicrystalline lattice (QL). We first construct a non-Hermitian extension of the Bernevig-Hughes-Zhang model on a QL generated by the Amman-Beenker tiling. This model has real spectra and supports helical edge states. Corner states emerge by adding a proper Wilson-mass term that gaps out the edge states. We propose two variations of the mass term that result in fascinating characteristics. In the first variation, we obtain a purely real spectra for the second-order topological phase. In the latter, we get a complex spectra with corner states localized at only two corners due to the higher-order non-Hermitian skin effect of the edge modes. Furthermore, our findings pave a path to engineering exotic SOT phases where corner states can be localized at designated corners.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Near‐Cloud Aerosol Retrieval Using Machine Learning Techniques, and Implied Direct Radiative Effects

Abstract There is a lack of satellite‐based aerosol retrievals in the vicinity of low‐topped clouds, mainly because reflectance from aerosols is overwhelmed by three‐dimensional cloud radiative effects. To account for cloud radiative effects on reflectance observations, we develop a Convolutional Neural Network and retrieve aerosol optical depth (AOD) with 100–500 m horizontal resolution for all cloud‐free regions regardless of their distances to clouds. The retrieval uncertainty is 0.01 + 5%AOD, and the mean bias is approximately −2%. In an application to satellite observations, aerosol hygroscopic growth due to humidification near clouds enhances AOD by 100% in regions within 1 km of cloud edges. The humidification effect leads to an overall 55% increase in the clear‐sky aerosol direct radiative effect. Although this increase is based on a case study, it highlights the importance of aerosol retrievals in near‐cloud regions, and the need to incorporate the humidification effect in radiative forcing estimates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Interfacial Reactivity and Speciation Emerging from Na-Montmorillonite Interactions with Water and Formic Acid at 200 °C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements

Reactive organic fluid - mineral interactions at elevated temperatures contribute to the evolution of planetary matter. One of the less studied but important transformations in this regard involves the reactions of formic acid with naturally occurring clays such as sodium montmorillonite. To advance a mechanistic understanding of these interactions, we use ReaxFF reactive molecular dynamics simulations in conjunction with infrared (IR) spectroscopy and X-ray scattering experiments to investigate the speciation behavior of water-formic acid mixtures on sodium montmorillonite interfaces at 473 K and 1 atm. Using a newly developed reactive forcefield, we show that the experimental IR spectra of unreacted and reacted mixture can be accurately reproduced by ReaxFF/MD. We further benchmark the simulation predictions of sodium carbonate and bicarbonate formation in the clay interlayers using Small and Wide-Angle X-ray Scattering measurements. Subsequently, leveraging the benchmarked forcefield, we interrogate the pathway of speciation reactions with emphasis on carbonate, formate, and hydroxide groups elucidating the energetics, transition states, intermediates, and preferred products. Further, we also delineate the differences in reactivities and catalytic effects of clay edges, facets, and interlayers owing to their local chemical environments, which have far reaching consequences in their speciation behavior. The experimental and simulation approaches described in this study and the transferable forcefields can be applied translationally to advance the science of clay-fluid interactions for several applications including subsurface fluid storage and recovery and clay-pollutant dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Evaluation of silicon carbide as a divertor armor material in DIII-D H-mode discharges

Silicon carbide (SiC) represents a promising but largely untested plasma-facing material (PFM) for next-step fusion devices. In this work, an analytic mixed-material erosion model is developed by calculating the physical (via SDTrimSP) and chemical (via empirical scalings) sputtering yield from SiC, Si, and C. The Si content in the near-surface SiC layer is predicted to increase during D plasma bombardment due to more efficient physical and chemical sputtering of C relative to Si. Silicon erosion from SiC thereby occurs primarily from sputtering of the enriched Si layer, rather than directly from the SiC itself. SiC coatings on ATJ graphite, manufactured via chemical vapor deposition, were exposed to repeated H-mode plasma discharges in the DIII-D tokamak to test this model. The qualitative trends from analytic modeling are reproduced by the experimental measurements, obtained via spectroscopic inference using the S/XB method. Quantitatively the model slightly under-predicts measured erosion rates, which is attributed to uncertainties in the ion impact angle distribution, as well as the effect of edge-localized modes. After exposure, minimal changes to the macroscopic or microscopic surface morphology of the SiC coatings were observed. Compositional analysis reveals Si enrichment of about 10%, in line with expectations from the erosion model. Extrapolating to a DEMO-type device, an order-of-magnitude decrease in impurity sourcing, and up to a factor of 2 decrease in impurity radiation, is expected with SiC walls, relative to graphite, if low C plasma impurity content can be achieved. Furthermore, these favorable erosion properties motivate further investigations of SiC as a low-Z, non-metallic PFM.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Unifying Combinatorial and Graphical Methods in Artificial Intelligence

Recently, a new graph Laplacian, called the inner product Laplacian, was introduced which generalizes many existing Laplacians, including the normalized and combinatorial Laplacian and their weighted variants. The key observation behind the inner product Laplacian is that by defining appropriate inner product spaces on the vertices and edges, the standard Laplacians can be recovered as Hodge Laplacians over the simplicial complex formed by the edges and vertices. These inner product spaces form a natural way to incorporate non-combinatorial information into the definition of a domain-specific Laplacian. In particular, in contrast to current domain-specific weighting schemes which rely solely on edge weights, information regarding the similarity of non-adjacent vertices and arbitrary pairs of edges can be effectively incorporated into the Laplacian. In order to illustrate this approach we consider the problem of calculating the potential energy of an atomistic configuration using Graph Neural Networks. In comparison with start-of-the-art approaches, such as SchNet, our approach replaces a learned (via auto-encoder) representation of the atom types with an inner product space on atoms based on scientific knowledge (e.g., electronegativity). We will illustrate how this approach captures key chemical properties of the molecules and compare the energy calculations with state-of-the-art neural network approaches. However, to compute the resulting Laplacian involves a mixture of sparse and dense matrix computation and yields a dense matrix as the basis for the graph convolution. This dense convolutional kernel necessitates moving away from the standard message passing framework for graph neural networks and increases the computational cost of applying the kernel. In order to mitigate these costs we investigate means of leveraging the mixed sparse and dense computations to reduce the overall computational cost and how these approaches can be automatically transferred to energy efficient hardware (e.g., field programmable gate arrays (FPGAs)).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Flutter behavior of highly flexible blades for two- and three-bladed wind turbines

Abstract. With the progression of novel design, material, and manufacturing technologies, the wind energy industry has successfully produced larger and larger wind turbine rotor blades while driving down the levelized cost of energy (LCOE). Though the benefits of larger turbine blades are appealing, larger blades are prone to aeroelastic instabilities due to their long, slender, highly flexible nature, and this effect is accentuated as rotors further grow in size. In addition to the trend of larger rotors, non-traditional rotor concepts are emerging including two-bladed rotors and downwind configurations. In this work, we introduce a comprehensive evaluation of flutter behavior including classical flutter, edgewise vibration, and flutter mode characteristics for two-bladed, downwind rotors. Flutter speed trends and characteristics for a series of both two- and three-bladed rotors are analyzed and compared in order to illustrate the flutter behavior of two-bladed rotors relative to more well-known flutter characteristics of three-bladed rotors. In addition, we examine the important problem of blade design to mitigate flutter and present a solution to mitigate flutter in the structural design process. A study is carried out evaluating the effect of leading edge and trailing edge reinforcement on flutter speed and hence demonstrates the ability to increase the flutter speed and satisfy structural design requirements (such as fatigue) while maintaining or even reducing blade mass.

Chetan, Mayank (ORCID:0000000241978801)↗
DOE OSTI2022

Nafion Passivation of c-Si Surface and Edge for Electron Paramagnetic Resonance

Effective surface passivation of crystalline silicon (c-Si) surface by reducing the carrier recombination rate has led to modern c-Si solar cells with efficiencies > 25% in both laboratory and industrial settings. Typical mainstream surface passivation techniques include high-temperature silicon oxide (SiOx), amorphous silicon (a-Si:H), hydrogen-rich silicon nitride (SiNx), and aluminum oxide (Al2O3) [1]. They have demonstrated excellent surface recombination velocity of < 1 cm/s owing to both chemical passivation (via the hydrogen saturation of Si dangling bonds at the c-Si surface), and field-effect passivation (via the band bending from the fixed charge of the dielectric layers). Recently, several groups have studied solution-based organic materials for c-Si passivation, including bis(trifluoromethane)sulfonimide (TFSI), polystyrenesulfonate, and Nafion [2, 3] via spin or dip coating. All films were processed at ambient room temperature, and a high lifetime of 12 ms, as well as a low saturation current density (J0) of 16 fA/cm2, have been demonstrated using Nafion passivation [2]. However, despite the air instability, Nafion has several advantages when introduced to PV applications: (a) Wafer quality can be measured at high throughput after several process stages. (b) It is compatible with PL mapping, compared to HF liquid passivation which cannot be performed in room ambient. (c) Nafion process is fast and poses fewer constraints on process complexity, and cleanness, compared to Al2O3 and a-Si:H passivation. (d) Nafion is the ideal room temperature passivation, which can be applied onto a small fragment of a degraded module to investigate microscopic mechanisms when studying degradation mechanisms. Edge passivation is needed for advanced characterization tests such as Electron Paramagnetic Resonance (EPR), Electrically Detected Magnetic Resonance (EDMR), Deep Level Transient Spectroscopy (DLTS), local cell current-voltage (J-V), and Suns-Voc. In such cases, the laser-damaged minicell edges will obscure the true degradation mechanisms, and Nafion can effectively passivate them without causing further degradation through elevated-temperature processes. In this contribution, we show the passivation results of Nafion on bare nCz and compare it with a Al2O3 witness. We highlight the importance of edge pre-treatment before Nafion to achieve good passivation. We show that Nafion can reach decent passivation without undergoing high-temperature processes. We also explore the temperature dependency of Nafion through photoluminescence (PL) study and demonstrate the application of Nafion under cryogenic temperature (~6 K) through EPR. Our results reveal that Nafion can reduce surface and edge Si dangling bonds at low temperatures. Thus, it can be used as an effective room temperature passivation technique for advanced characterization methods.

c-Si↗
DOE OSTI2023

Plasmons in Z 2 topological insulators

Here, we study plasmonic excitations in the Kane-Mele model, a two-dimensional Z 2 topological insulator on the honeycomb lattice, using the random phase approximation (RPA). In the topologically nontrivial phase, the model has conducting edge states that traverse the bulk energy gap and display spin-momentum locking. Such a state of matter is called the quantum spin hall (QSH) phase, which is robust against time-reversal (TR) invariant perturbations. We find that in the QSH phase, gapless spin-polarized plasmons can be excited on the edges of the system. The propagation of these plasmons is chiral for each individual spin component and shows spin-momentum locking for both spin components on the same edge. Moreover, we study the effect of external magnetic fields on the gapless edge plasmons. Specifically, out-of-plane magnetic fields delocalize edge plasmons propagating in one direction without affecting the other one, while an in-plane magnetic field can be applied to selectively excite a specific spin-plasmon branch with proper doping or gating to the system. Our findings may have potential applications in novel plasmonic and spintronic devices. We also investigate plasmons in the Kane-Mele model on a finite-sized diamond-shaped nanoflake and observe low-energy plasmons circulating the boundary of the material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Faraday-effect polarimetry for current profile measurement in the tokamak plasma edge

Toroidal current profile measurements in the tokamak plasma edge are critical for fusion plasma physics research and model validation. A three-wave Faraday-effect polarimeter-interferometer with a sub-centimeter spatial resolution is proposed on the DIII-D tokamak to determine the edge current profile via Abel inversion. By using probe beams with 316 µm wavelength, a low-field-side, vertical-view, single-pass optical layout covering the plasma edge region (R = 2.15–2.27 m) is assessed. Measurements with no greater than 0.1° polarimetric systematic uncertainty, no greater than 0.01° polarimetric root-mean-square noise (1 kHz bandwidth), and a 0.8 cm radial chord spacing are considered feasible based on the achieved performance of existing systems using similar wavelengths on fusion devices. Furthermore, synthetic diagnostic calculations taking various factors into account, such as diagnostic uncertainty and quality of magnetic flux surfaces, find that the edge current profile can be determined with up to 0.12 MA/m 2 uncertainty, or about 10% of the peak current density in the pedestal of an investigated high-confinement plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Investigation of Drift Effects in UEDGE Simulations of NSTX-U Edge Plasma With Lithium Divertors

Lithium is a low-Z material, and lithium-based plasma-facing components (PFCs) are planned for the National Spherical Torus Experiment Upgrade (NSTX-U) to explore potential benefits for divertor power exhaust and core plasma management. NSTX-U is a medium-sized spherical tokamak with up to 12 MW of auxiliary heating, capable of generating reactor-relevant plasma conditions. This work presents boundary plasma simulations for NSTX-U with lithium PFCs using the UEDGE code, incorporating full magnetic and 𝐄 ×𝐁 drift physics. The simulations show that drifts strongly influence heat and particle transport: they enhance convective transport, broaden the scrape-off layer heat-flux width 𝜆 𝑞 , and reduce the anomalous heat diffusivity 𝜒 required to reproduce predicted SOL heat-flux width. 𝐄 ×𝐁 drifts provide poloidal transport, while ∇𝐵 (which includes both gradB and curvature) drifts provide radial heat and particle transport. Lithium transport is also affected by drifts, with lithium ions migrating from the outer divertor to the inner divertor through the private flux region (PFR) following the 𝐄 ×𝐁 drifts flow, lowering upstream impurity lithium densities. UEDGE is self-consistently coupled with the Wall-Li model to study plasma lithium PFC interactions depending on the local lithium sourcing based on local plasma conditions and lithium surface temperature. In these simulations, lithium evaporation shows a vapor-shielding effect that reduces divertor heat flux and increases radiative losses once surface temperatures exceed 450°C. This research work provides a first step toward self-consistent modeling of lithium PFCs in NSTX-U, demonstrating the impact of drift-driven plasma transport in SOL and divertor regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The impact of habitat fragmentation on domatia-dwelling mites and a mite-plant-fungus tritrophic interaction

Abstract Context Habitat fragmentation is a leading threat to biodiversity, yet the impacts of fragmentation on most taxa, let alone interactions among those taxa, remain largely unknown. Objectives We studied how three consequences of fragmentation—reduced patch connectivity, altered patch shape, and edge proximity—impact plant-dwelling mite communities and mite-plant-fungus interactions within a large-scale habitat fragmentation experiment. Methods We sampled mite communities from the leaves of Quercus nigra (a plant species that has foliar domatia which harbor fungivorous and predacious mites) near and far from edge within fragments of varying edge-to-area ratio (shape) and connectivity via corridors. We also performed a mite-exclusion experiment across these fragmentation treatments to test the effects of mite presence and fungal hyphal abundance on leaf surfaces. Results Habitat edges influenced the abundance and richness of leaf-dwelling mites; plants closer to the edge had higher mite abundance and species richness. Likewise, hyphal counts were higher on leaves near patch edges. Despite both mite and fungal abundance being higher at patch edges, leaf hyphal counts were not impacted by mite abundance on those leaves. Neither patch shape nor connectivity influenced mite abundance, mite species richness, or the influence of mites on leaf surface fungal abundance. Conclusion Our results suggest that mites and foliar fungi may be independently affected by edge-structured environmental gradients, like temperature, rather than trophic effects. We demonstrate that large-scale habitat fragmentation and particularly edge effects can have impacts on multiple levels of microscopic communities, even in the absence of cascading trophic effects.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Edge Channel Transmission through a Quantum Point Contact in the Two-Dimensional Topological Insulator Cadmium Arsenide

Cadmium arsenide (Cd 3 As 2 ) thin films feature a two-dimensional topological insulator (2D TI) phase for certain thicknesses, which theoretically hosts a set of counterpropagating helical edge states that are characteristic of a quantum spin Hall (QSH) insulator. In devices containing electrostatically defined junctions and for magnetic fields below a critical value, chiral edge modes of the quantum Hall effect can coexist with QSH-like edge modes. In this work, we use a quantum point contact (QPC) device to characterize edge modes in the 2D TI phase of Cd 3 As 2 and to understand how they can be controllably transmitted, which is important for use in future quantum interference devices. We investigate equilibration among both types of modes and find non-spin-selective equilibration. We also demonstrate the effect of the magnetic field on suppressing equilibration. We discuss the potential role of QSH-like modes in a transmission pathway that precludes full pinch-off.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗