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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Discrete quantum geometry and intrinsic spin Hall effect

We show that the quantum geometry of the Fermi surface can be numerically described by a three-dimensional discrete quantum manifold. This approach not only avoids singularities in the Fermi sea, but it also enables the precise computation of the intrinsic Hall conductivity resolved in spin, as well as any other local properties of the Fermi surface. The method assures numerical accuracy when the Fermi level is arbitrarily close to singularities, and it remains robust when Kramers degeneracy is protected by symmetry. Furthermore, the approach is demonstrated by calculating the anomalous Hall and spin Hall conductivities of a two-band lattice model of a Weyl semimetal and a full-band ab initio model of zinc-blende GaAs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Stability of fractional Chern insulators with a non-Landau level continuum limit

The stability of fractional Chern insulators is widely believed to be predicted by the resemblance of their single-particle spectra to Landau levels. Here we investigate the scope of this geometric stability hypothesis by analyzing the stability of a set of fractional Chern insulators that explicitly do not have a Landau level continuum limit. By computing the many-body spectra of Laughlin states in a generalized Hofstadter model, we analyze the relationship between single-particle metrics, such as trace inequality saturation, and many-body metrics, such as the magnitude of the many-body and entanglement gaps. We show numerically that the geometric stability hypothesis holds for Chern bands that are not continuously connected to Landau levels, as well as conventional Chern bands, albeit often requiring larger system sizes to converge for these configurations.

2-dimensional systems↗
DOE OSTI2020

Enhanced Thermal Hall Effect in Nearly Ferroelectric Insulators

In the context of recent experimental observations of an unexpectedly large thermal Hall conductivity, $κ_H$, in insulating $La_2CuO_4$ (LCO) and $SrTiO_3$ (STO), in this paper we theoretically explore conditions under which acoustic phonons can give rise to such a large $κ_H$. Both the intrinsic and extrinsic contributions to $κ_H$ are large in proportion to the dielectric constant, $ε$, and the “flexoelectric” coupling, $F$. While the intrinsic contribution is still orders of magnitude smaller than the observed effect, an extrinsic contribution proportional to the phonon mean-free path appears likely to account for the observations, at least in STO. We predict a larger intrinsic $κ_H$ in certain insulating perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Dirac-Harper Theory for One-Dimensional Moiré Superlattices

In this work, we study a Dirac-Harper model for moiré bilayer superlattices where layer antisymmetric strain periodically modulates the interlayer coupling between two honeycomb lattices in one spatial dimension. Discrete and continuum formulations of this model are analyzed. For a sufficiently long moiré period we find low-energy spectra that host a manifold of weakly dispersive bands arising from a hierarchy of momentum and position-dependent mass inversions. We analyze their charge distributions, mode count, and valley coherence using exact symmetries of the lattice model and approximate symmetries of a four-flavor version of the Jackiw-Rebbi one-dimensional solution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Disentangling the Competing Mechanisms of Light-Induced Anomalous Hall Conductivity in Three-Dimensional Dirac Semimetal

We experimentally elucidate the origin of the anomalous Hall conductivity in a three-dimensional Dirac semimetal, Cd 3 As 2 , driven by circularly polarized light. Using time-resolved terahertz Faraday rotation spectroscopy, we determine the transient Hall conductivity spectrum with special attention to its sign. Our results clearly show the dominance of direct photocurrent generation assisted by the terahertz electric field. The contribution from the Floquet-Weyl nodes is found to be minor when the driving light is in resonance with interband transitions. Here, we develop a generally applicable classification of microscopic mechanisms of light-induced anomalous Hall conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Higher Vortexability: Zero-Field Realization of Higher Landau Levels

The rise of moiré materials has led to experimental realizations of integer and FCIs in small or vanishing magnetic fields. At the same time, a set of minimal conditions sufficient to guarantee an Abelian fractional state in a flat band were identified, namely “ideal" or “vortexable" quantum geometry. Such vortexable bands share essential features with the LLL, while excluding the need for more fine-tuned aspects such as flat Berry curvature. A natural and important generalization is to ask if such conditions can be extended to capture the quantum geometry of higher Landau levels, particularly the first (1LL), where non-Abelian states at ν = 1/2, 2/5 are known to be competitive. The possibility of realizing these states at zero magnetic field, and perhaps even more exotic ones, could become a reality if we could identify the essential structure of the 1LL in Chern bands. In this work, we introduce a precise definition of 1LL quantum geometry, along with a figure of merit that measures how closely a given band approaches the 1LL. Furthermore, periodically strained Bernal graphene is shown to realize such a 1LL structure even in zero magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Multistate Geometry of Shift Current and Polarization

The quantum metric and Berry curvature capture essential properties of nontrivial Bloch states and underpin many fascinating phenomena. However, it becomes increasingly evident that a more comprehensive understanding of quantum state geometry is necessary to explain properties involving Bloch states of multiple bands, such as optical transitions. To this end, we employ quantum state projectors to develop an explicitly gauge-invariant formalism and demonstrate its power with applications to nonlinear optics and the theory of electronic polarization. We provide a simple expression for the shift current that resolves its precise relation to the moments of electronic polarization, clarifies the treatment of band degeneracies, and reveals its decomposition into the sum of the skewness of the occupied states and intrinsically multistate geometry. The projector approach is applied to calculate nonlinear optical properties of transition metal dichalcogenides (TMDs) layers, using previously calculated minimal tight-binding models, and demonstrated analytically on a three-band generalization of the Rice-Mele chain to elucidate the different contributions. We close with comments on further applications of the projector operator approach to multistate geometry.

electric polarization↗
DOE OSTI2025

Power Flow Geometry and Approximation

Here, the power flow equations are important in numerous power systems problems of practical interest which consider alternating current power flow (ACPF) physics. Perhaps the most well studied being the alternating current optimal power flow problem (ACOPF), seeking to optimize the operation of an electric power system. Due to their non-linearity, problems which include the power flow equations are typically challenging, particularly in optimization. Interestingly, the set of solutions to the power flow equations forms a smooth manifold. As a result, differential geometry can be used to describe and analyze this set of equations. This approach has proven effective in several engineering applications (e.g., solving ACOPF and analyzing the solution space boundary). Central to the success of this approach is an understanding of the power flow manifold's geometry. In this work, we develop the geometric and topological properties of this manifold using concepts from differential geometry. After demonstrating the convenience of this manifold's representation as a function's graph, computational methods are emphasized: we develop retractions, error bounds for linear approximation, and formulas for evaluating the Riemannian metric (including associated objects such as geodesics and the curvature tensor). Scalar curvature and the second fundamental form play a new role in quantifying the quality of linear approximations, like the popular direct current approximation. All functions are implemented in Julia and available in an online repository. Proofs are included for completeness.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Transferable GeSn ribbon photodetectors for high-speed short-wave infrared photonic applications

We experimentally demonstrate a low-cost transfer process of GeSn ribbons to insulating substrates for short-wave infrared (SWIR) sensing/imaging applications. By releasing the original compressive GeSn layer to nearly fully relaxed state GeSn ribbons, the room-temperature spectral response of the photodetector is further extended to 3.2 μm, which can cover the entire SWIR range. Compared with the as-grown GeSn reference photodetectors, the fabricated GeSn ribbon photodetectors have a fivefold improvement in the light-to-dark current ratio, which can improve the detectivity for high-performance photodetection. The transient performance of a GeSn ribbon photodetector is investigated with a rise time of about 40 μs, which exceeds the response time of most GeSn (Ge)-related devices. In addition, this transfer process can be applied on various substrates, making it a versatile technology that can be used for various applications ranging from optoelectronics to large-area electronics. These results provide insightful guidance for the development of low-cost and high-speed SWIR photodetectors based on Sn-containing group IV low-dimensional structures.

42 ENGINEERING↗
DOE OSTI2022

Voronoi cell analysis: The shapes of particle systems

Many physical systems can be studied as collections of particles embedded in space, often evolving in time. Natural questions arise concerning how to characterize these arrangements—are they ordered or disordered? If they are ordered, how are they ordered and what kinds of defects do they possess? Voronoi tessellations, originally introduced to study problems in pure mathematics, have become a powerful and versatile tool for analyzing countless problems in pure and applied physics. Here we explain the basics of Voronoi tessellations and the shapes that they produce and describe how they can be used to characterize many physical systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Topological Interpretability for Deep Learning

With the growing adoption of AI-based systems across everyday life, the need to understand their decision-making mechanisms is correspondingly increasing. The level at which we can trust the statistical inferences made from AI-based decision systems is an increasing concern, especially in high-risk systems such as criminal justice or medical diagnosis, where incorrect inferences may have tragic consequences. Despite their successes in providing solutions to problems involving real-world data, deep learning (DL) models cannot quantify the certainty of their predictions. These models are frequently quite confident, even when their solutions are incorrect. This work presents a method to infer prominent features in two DL classification models trained on clinical and non-clinical text by employing techniques from topological and geometric data analysis. We create a graph of a model's feature space and cluster the inputs into the graph's vertices by the similarity of features and prediction statistics. We then extract subgraphs demonstrating high-predictive accuracy for a given label. These subgraphs contain a wealth of information about features that the DL model has recognized as relevant to its decisions. We infer these features for a given label using a distance metric between probability measures, and demonstrate the stability of our method compared to the LIME and SHAP interpretability methods. This work establishes that we may gain insights into the decision mechanism of a DL model. This method allows us to ascertain if the model is making its decisions based on information germane to the problem or identifies extraneous patterns within the data.

Spannaus, Adam↗
DOE OSTI2020

Understanding Microstructural Effects on Dynamic Performance Towards the Development of Shock Metamaterials

With the recent advances in additive manufacturing (AM), long-range periodic lattice assemblies are being developed for vibration and shock mitigation components in aerospace and military applications with unique geometric and topological structures. There has been extensive work in understanding the static properties associated with varying topology of these lattice architectures, but there is almost no understanding of microstructural affects in such structures under high-strain rate dynamic loading conditions. Here we report the shock behavior of lattices with varying intrinsic grain structures achieved by post process annealing. High resolution 316L stainless steel lattices were 3D printed by a laser-powder bed fusion machine and characterized by computed tomography. Subsequent annealing resulted in stress-relieved and recrystallized lattices. Overall the lattices had strong cubic texture aligning with the x-, y- and z-directions of the build with a preference outside the build direction (z). The recrystallized sample had more equiaxed polygonal grains and a layer of BCC ferrite at the surface of the structure approximately 1 grain thick. Upon dynamic compression the as-deposited lattice showed steady compaction behavior while the heat-treated lattices exhibit negative velocity behavior indicative of failure. We attribute this to the stiffer BCC ferrite in the annealed lattices becoming damaged and fragmenting during compression.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Translators between CADD and section 5 of the ANSI Y14.26M standard

The American National Standard, Engineering Drawing and Related Documentation Practices, Digital Representation for Communication of Product Definition Data (ANSI Y14.26M-1981) comprises an introduction, three sections corresponding to IGES (Initial Graphics Exchange Specification) Version 1.0, and Section 5, a constructive, relational, language-based representation for geometric and topological entities. This presentation discusses the design and development of two-way translators between Section 5 (herein, ANSI5) and CADD (Computer-Aided Design Drafting).

Emnett, R. F.↗
NASA NTRS1984

Reflections on representing non-geometric data

The American National Standard Y14.26M-1981 on Digital Representation for Communication of Product Definition Data includes an introduction, three sections corresponding to IGES (Initial Graphics Exchange Specification) Version 1.0, and Section 5, which is a constructive, relational, language based representation for geometric and topological entitles.

Emnett, R. F.↗
NASA NTRS1989

Densification and coarsening during solid state sintering of ceramics: A review of the models. II - Grain growth

Two processes occur simultaneously during the sintering of a ceramic powder compact: densification and coarsening (or grain growth). Both processes have as their driving force the reduction of the excess free surface energy of the powder particles. Several different mechanisms of atom transport, operating concurrently or consecutively, may be responsible for the two processes. Algebraic, geometric and topological models have been proposed and refined in attempts to determine the mechanism, or mechanisms, responsible for densification under defined processing conditions. These efforts have met with varying degrees of success. Recently, it has become apparent that more attention must be paid to the coarsening processes during sintering. The models for both densification and coarsening during solid state sintering are reviewed with particular emphasis on their applicability to engineering ceramics.

Shaw, Nancy J.↗