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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reflected entropy in random tensor networks. Part III. Triway cuts

For general random tensor network states at large bond dimension, we prove that the integer Rényi reflected entropies (away from phase transitions) are determined by minimal triway cuts through the network. This generalizes the minimal cut description of bipartite entanglement for these states. A natural extrapolation away from integer Rényi parameters, suggested by the triway cut problem, implies the holographic conjecture S R = 2EW, where S R is the reflected entropy and EW is the entanglement wedge cross-section. Minimal triway cuts can be formulated as integer programs which cannot be relaxed to find a dual maximal flow/bit-thread description. This sheds light on the gap between the existence of tripartite entanglement in holographic states and the bipartite entanglement structure motivated by bit-threads. In particular, we prove that the Markov gap that measures tripartite entanglement is lower bounded by the integrality gap of the integer program that computes the triway cut.

AdS-CFT correspondence↗
DOE OSTI2023

Giant room-temperature nonlinearities in a monolayer Janus topological semiconductor

Abstract Nonlinear optical materials possess wide applications, ranging from terahertz and mid-infrared detection to energy harvesting. Recently, the correlations between nonlinear optical responses and certain topological properties, such as the Berry curvature and the quantum metric tensor, have attracted considerable interest. Here, we report giant room-temperature nonlinearities in non-centrosymmetric two-dimensional topological materials—the Janus transition metal dichalcogenides in the 1 T’ phase, synthesized by an advanced atomic-layer substitution method. High harmonic generation, terahertz emission spectroscopy, and second harmonic generation measurements consistently show orders-of-the-magnitude enhancement in terahertz-frequency nonlinearities in 1 T’ MoSSe (e.g., > 50 times higher than 2 H MoS 2 for 18 th order harmonic generation; > 20 times higher than 2 H MoS 2 for terahertz emission). We link this giant nonlinear optical response to topological band mixing and strong inversion symmetry breaking due to the Janus structure. Our work defines general protocols for designing materials with large nonlinearities and heralds the applications of topological materials in optoelectronics down to the monolayer limit.

42 ENGINEERING↗
DOE OSTI2021

Nonlinear nanoelectrodynamics of a Weyl metal

Chiral Weyl fermions with linear energy-momentum dispersion in the bulk accompanied by Fermi-arc states on the surfaces prompt a host of enticing optical effects. While new Weyl semimetal materials keep emerging, the available optical probes are limited. In particular, isolating bulk and surface electrodynamics in Weyl conductors remains a challenge. We devised an approach to the problem based on near-field photocurrent imaging at the nanoscale and applied this technique to a prototypical Weyl semimetal TaIrTe 4 . As a first step, we visualized nano-photocurrent patterns in real space and demonstrated their connection to bulk nonlinear conductivity tensors through extensive modeling augmented with density functional theory calculations. Notably, our nanoscale probe gives access to not only the in-plane but also the out-of-plane electric fields so that it is feasible to interrogate all allowed nonlinear tensors including those that remained dormant in conventional far-field optics. Surface- and bulk-related nonlinear contributions are distinguished through their “symmetry fingerprints” in the photocurrent maps. Robust photocurrents also appear at mirror-symmetry breaking edges of TaIrTe 4 single crystals that we assign to nonlinear conductivity tensors forbidden in the bulk. Here, nano-photocurrent spectroscopy at the boundary reveals a strong resonance structure absent in the interior of the sample, providing evidence for elusive surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Initial framework for engineering-scale statistical creep-fatigue modeling

This report describes the integration of new solid and interface-cohesive mechanics systems into MOOSE. The purpose of these new systems is to support the ability of MOOSE to run full-field crystal plasticity finite element method simulations of key material processes in high temperature metallic materials. These simulations could be used to help accurately predict the performance of key high temperature structural materials in future advanced nuclear reactor components. Previous work implemented preliminary versions of many of these systems in MOOSE Apps. The current work reports on their integration into the main MOOSE tensor mechanics module along with associated improvements to the basic formulations and numerical implementations. Finally, the report provides an example of the full-field crystal plasticity simulations now possible in MOOSE, including examples of realistic geometries requiring millions of degrees of freedom to resolve the microstructural features and macroscale geometry.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

A multidimensional study of the structure function ratio $\sigma_{LT'}$/$\sigma_0$ from hard exclusive $\pi^+$ electro-production off protons in the GPD regime

A multidimensional extraction of the structure function ratio σ LT' /σ 0 from the hard exclusive $\vec{e}$p → e'nπ+ reaction above the resonance region has been performed. The study was done based on beam-spin asymmetry measurements using a 10.6 GeV incident electron beam on a liquid-hydrogen target and the CLAS12 spectrometer at Jefferson Lab. The measurements focus on the very forward regime (t/Q 2 $\ll$ 1) with a wide kinematic range of x B in the valence regime (0.17 < x B < 0.55), and virtualities Q 2 ranging from 1.5 GeV 2 up to 6 GeV 2 . The results and their comparison to theoretical models based on Generalized Parton Distributions demonstrate the sensitivity to chiral-odd GPDs and the directly related tensor charge of the nucleon. In addition, the data is compared to an extension of a Regge formalism at high photon virtualities. It was found that the Regge model provides a better description at low Q 2 , while the GPD model is more appropriate at high Q 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Weyl-ambient geometries

Weyl geometry is a natural extension of conformal geometry with Weyl covariance mediated by a Weyl connection. We generalize the Fefferman-Graham (FG) ambient construction for conformal manifolds to a corresponding construction for Weyl manifolds. We first introduce the Weyl-ambient metric motivated by the Weyl-Fefferman-Graham (WFG) gauge. From a top-down perspective, we show that the Weyl-ambient space as a pseudo-Riemannian geometry induces a codimension-2 Weyl geometry. Then, from a bottom-up perspective, we start from promoting a conformal manifold into a Weyl manifold by assigning a Weyl connection to the principal R+-bundle realizing a Weyl structure. We show that the Weyl structure admits a well-defined initial value problem, which determines the Weyl-ambient metric. Through the Weyl-ambient construction, we also investigate Weyl-covariant tensors on the Weyl manifold and define extended Weyl-obstruction tensors explicitly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Scalable Tensor Methods for Nonuniform Hypergraphs

While multilinear algebra appears natural for studying the multiway interactions modeled by hypergraphs, tensor methods for general hypergraphs have been stymied by theoretical and practical barriers. A recently proposed adjacency tensor is applicable to nonuniform hypergraphs, but is prohibitively costly to form and analyze in practice. We develop tensor times same vector (TTSV) algorithms for this tensor which improve complexity from $O(n^r)$ to a low-degree polynomial in $r$, where $n$ is the number of vertices and $r$ is the maximum hyperedge size. Our algorithms are implicit, avoiding formation of the order $r$ adjacency tensor. Here, we demonstrate the flexibility and utility of our approach in practice by developing tensor-based hypergraph centrality and clustering algorithms. We also show these tensor measures offer complementary information to analogous graph-reduction approaches on data, and are also able to detect higher-order structure that many existing matrix-based approaches provably cannot.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Cuboidal Liquid Crystal Phases Under Multiaxial Geometrical Frustration.

Cuboidal liquid crystal phases - the so-called blue phases - consist of a network of topological defects arranged into a cubic symmetry. They exhibit striking optical properties, including Bragg reflection in the visible range and fast response times. Confining surfaces can interfere with the packing of such a network, leading to structures that have not been explored before. In this work, a Landau-de Gennes free energy formalism for the tensor alignment field Q is used to investigate the behavior of chiral liquid crystals under non-isotropic confinement. The underlying free energy functional is solved by relying on a Monte Carlo method that facilitates efficient exploration of configuration space. The results of simulations are expressed in terms of phase diagrams as a function of chirality and temperature for three families of spheroids: oblate, spherical, and prolate. Upon deformation, blue phases adapt and transform to accommodate the geometrical constraints, thereby resulting in a wider range of thermal stability. For oblate spheroids, confinement interferes with the development of a full blue phase structure, resulting on a combination of half skyrmions. For prolate spheroids, the blue phases are hybridized and exhibit features of blue phases I and II. More generally, it is shown that mechanical deformation provides an effective means to control, manipulate and stabilize blue phases and cholesterics confined in tactoids.

Palacio-Betancur, Viviana↗
NASA NTRS2014

Multi-Scale Computational Modeling of Two-Phased Metal Using GMC Method

A multi-scale computational model for determining plastic behavior in two-phased CMSX-4 Ni-based superalloys is developed on a finite element analysis (FEA) framework employing crystal plasticity constitutive model that can capture the microstructural scale stress field. The generalized method of cells (GMC) micromechanics model is used for homogenizing the local field quantities. At first, GMC as stand-alone is validated by analyzing a repeating unit cell (RUC) as a two-phased sample with 72.9% volume fraction of gamma'-precipitate in the gamma-matrix phase and comparing the results with those predicted by finite element analysis (FEA) models incorporating the same crystal plasticity constitutive model. The global stress-strain behavior and the local field quantity distributions predicted by GMC demonstrated good agreement with FEA. High computational saving, at the expense of some accuracy in the components of local tensor field quantities, was obtained with GMC. Finally, the capability of the developed multi-scale model linking FEA and GMC to solve real life sized structures is demonstrated by analyzing an engine disc component and determining the microstructural scale details of the field quantities.

nickel alloys↗
DOE OSTI2021

Leading nonlinear tidal effects and scattering amplitudes

We present the two-body Hamiltonian and associated eikonal phase, to leading post-Minkowskian order, for infinitely many tidal deformations described by operators with arbitrary powers of the curvature tensor. Scattering amplitudes in momentum and position space provide systematic complementary approaches. For the tidal operators quadratic in curvature, which describe the linear response to an external gravitational field, we work out the leading post-Minkowskian contributions using a basis of operators with arbitrary numbers of derivatives which are in one-to-one correspondence with the worldline multipole operators. Explicit examples are used to show that the same techniques apply to both bodies interacting tidally with a spinning particle, for which we find the leading contributions from quadratic in curvature tidal operators with an arbitrary number of derivatives, and to effective field theory extensions of general relativity. We also note that the leading post-Minkowskian order contributions from higher-dimension operators manifest double-copy relations. Finally, we comment on the structure of higher-order corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1990

Bounded energy states in homogeneous turbulent shear flow: An alternative view

The equilibrium structure of homogeneous turbulent shear flow is investigated from a theoretical standpoint. Existing turbulence models, in apparent agreement with physical and numerical experiments, predict an unbounded exponential time growth of the turbulent kinetic energy and dissipation rate; only the anisotropy tensor and turbulent time scale reach a structural equilibrium. It is shown that if vortex stretching is accounted for in the dissipation rate transport equation, then there can exist equilibrium solutions, with bounded energy states, where the turbulence production is balanced by its dissipation. Illustrative calculations are present for a k-epsilon model modified to account for vortex stretching. The calculations indicate an initial exponential time growth of the turbulent kinetic energy and dissipation rate for elapsed times that are as large as those considered in any of the previously conducted physical or numerical experiments on homogeneous shear flow. However, vortex stretching eventually takes over and forces a production-equals-dissipation equilibrium with bounded energy states. The validity of this result is further supported by an independent theoretical argument. It is concluded that the generally accepted structural equilibrium for homogeneous shear flow with unbounded component energies is in need of re-examination.

Bernard, Peter S.↗
DOE OSTI2021

Next-to-$\mathrm{MHV}$ Yang-Mills kinematic algebra

Kinematic numerators of Yang-Mills scattering amplitudes possess a rich Lie algebraic structure that suggest the existence of a hidden infinite-dimensional kinematic algebra. Explicitly realizing such a kinematic algebra is a longstanding open problem that only has had partial success for simple helicity sectors. In past work, we introduced a framework using tensor currents and fusion rules to generate BCJ numerators of a special subsector of NMHV amplitudes in Yang-Mills theory. Here we enlarge the scope and explicitly realize a kinematic algebra for all NMHV amplitudes. Master numerators are obtained directly from the algebraic rules and through commutators and kinematic Jacobi identities other numerators can be generated. Inspecting the output of the algebra, we conjecture a closed-form expression for the master BCJ numerator up to any multiplicity. We also introduce a new method, based on group algebra of the permutation group, to solve for the generalized gauge freedom of BCJ numerators. It uses the recently introduced binary BCJ relations to provide a complete set of NMHV kinematic numerators that consist of pure gauge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

The algebraic structure of gravitational scrambling

We introduce a new algebraic framework to describe gravitational scrambling, including the semiclassical limit of any out-of-time-order correlation function that is built out of operator insertions separated by approximately the scrambling time. In two dimensions, the scrambling algebra, which we call a modular-twisted product, is defined in terms of two copies of the Leutheusser-Liu half-sided modular inclusion of von Neumann algebras; these describe early- and late-time operators respectively. In limits where the separation between insertions is taken to be either significantly greater or smaller than the scrambling time, the modular-twisted product reduces, respectively, to free- and tensor-product algebras that were previously studied in [arXiv:2209.10454]. In a sense, the modular-twisted product interpolates between these two products. Including the Hamiltonian in the scrambling algebra leads to a Type II$_\infty$ von Neumann algebra with finite renormalized entropies that interpolate between single-QES and multi-QES phases. We also describe how to generalize the modular-twisted product algebra to higher dimensions, including spatially localized boundary excitations.

FOS: Physical sciences↗
NASA NTRS1990

Application of symbolic computations to the constitutive modeling of structural materials

In applications involving elevated temperatures, the derivation of mathematical expressions (constitutive equations) describing the material behavior can be quite time consuming, involved and error-prone. Therefore intelligent application of symbolic systems to faciliate this tedious process can be of significant benefit. Presented here is a problem oriented, self contained symbolic expert system, named SDICE, which is capable of efficiently deriving potential based constitutive models in analytical form. This package, running under DOE MACSYMA, has the following features: (1) potential differentiation (chain rule), (2) tensor computations (utilizing index notation) including both algebraic and calculus; (3) efficient solution of sparse systems of equations; (4) automatic expression substitution and simplification; (5) back substitution of invariant and tensorial relations; (6) the ability to form the Jacobian and Hessian matrix; and (7) a relational data base. Limited aspects of invariant theory were also incorporated into SDICE due to the utilization of potentials as a starting point and the desire for these potentials to be frame invariant (objective). The uniqueness of SDICE resides in its ability to manipulate expressions in a general yet pre-defined order and simplify expressions so as to limit expression growth. Results are displayed, when applicable, utilizing index notation. SDICE was designed to aid and complement the human constitutive model developer. A number of examples are utilized to illustrate the various features contained within SDICE. It is expected that this symbolic package can and will provide a significant incentive to the development of new constitutive theories.

Arnold, Steven M.↗
DOE OSTI2023

A General Spatiotemporal Imputation Framework for Missing Sensor Data

Many applications from precision agriculture, environmental monitoring and transportation networks rely on data collected across space and time over a large geographic area. Missing data poses a significant challenge for any data-driven inference and control tasks. Data imputation or the estimation of missing data can help fill these gaps by utilizing inherent spatial relationships and temporal patterns. A variety of spatiotemporal imputation models have been developed to address missing data in spatiotemporal datasets. However, these classical methods rely on the assumption that the underlying data follows a smooth trend and fail to provide accurate estimates when there is a large number of missing points in the data. Even though there are machine learning driven tensor completion approaches such as convolutional neural network based tensor completion (CoSTCo) that capture the non-linear relationships in the dataset, the transductive nature makes the algorithm less scalable. Thus, existing approaches for estimating the missing information do not effectively capture all dimensions of the spatiotemporal data structure, resulting in erroneous predictions and poor performance. The main contributions of this paper are: (1) We propose a novel inductive framework (G-LSTM) for missing data imputation that integrates a graph neural network with LSTMs to effectively capture both spatial and temporal dependencies. (2) Experimental results on a traffic dataset demonstrate that the proposed GNN integrated with an LSTM framework achieves improved imputation and maintains steady performance even when there are extreme missing conditions in comparison with the state-of-the-art imputation framework (i.e, CoSTCo). (3) The simulation results on a traffic network show up to 69% reduction in mean absolute error and 61% reduction in root mean square error when compared to CoSTCo.

Tharzeen, Aabila↗
NASA NTRS1985

Dynamic Creep Buckling: Analysis of Shell Structures Subjected to Time-dependent Mechanical and Thermal Loading

The objective of the present research is to develop a general mathematical model and solution methodologies for analyzing the structural response of thin, metallic shell structures under large transient, cyclic, or static thermomechanical loads. Among the system responses associated with these loads and conditions are thermal buckling, creep buckling, and ratcheting. Thus geometric and material nonlinearities (of high order) can be anticipated and must be considered in developing the mathematical model. A complete, true ab-initio rate theory of kinematics and kinetics for continuum and curved thin structures, without any restriction on the magnitude of the strains or the deformations, was formulated. The time dependence and large strain behavior are incorporated through the introduction of the time rates of metric and curvature in two coordinate systems: fixed (spatial) and convected (material). The relations between the time derivative and the covariant derivative (gradient) were developed for curved space and motion, so the velocity components supply the connection between the equations of motion and the time rates of change of the metric and curvature tensors.

Simitses, G. J.↗
DOE OSTI2019

Superluminal chaos after a quantum quench

Thermal states holographically dual to black holes in Einstein gravity display maximal Lyapunov growth as well as “butterfly effect cones”. We study these effects in highly non-equilibrium states, obtained from an initial thermal state by the sudden injection of energy. We do this by computing out-of-time-order correlators (OTOCs) in BTZ-Vaidya spacetimes, which describe transitions between black holes at different temperatures. If both pairs of boundary operators appearing in the OTOC are inserted before the energy injection, we recover standard results, with butterfly effect cones displaying a light-cone structure. But when one pair of operators is inserted before and the other pair after the energy injection, the Lyapunov growth saturates the chaos bounds set by the local temperatures and the butterfly effect cones can “open up”, becoming superluminal, albeit in a way that does not violate causality. In the limiting case, in which the initial state is the vacuum, Lyapunov growth only starts after the energy injection. Our computations of the OTOCs are phrased in terms of gravitationally interacting particles, where fields are treated in a geodesic approximation and the eikonal phase shift is expressed in terms of stress tensors and shock waves associated to geodesics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

Macroscopic Models of Radiative Transfer as Applied to Computation of the Radiation Field in the Solar Atmosphere

In this paper a new three dimensional half-moment model for radiative transfer is presented for a gray medium. It describes the evolution of the zeroth and first directional half moments of the radiative intensity. The closure is provided, similarly to Dubroca and Klar, by the maximum entropy concept. This work generalizes that model to three dimensions. The model presented here (the derivation being done in Ripoll and Wray, called the M(sup 1/2)(sub 1) model, is a hyperbolic system consisting of a total of eight equations in three dimensions, four equations for each direction. Each half model has the classical form of a macroscopic moment model in which the pressure tensor is constructed from the well-known Eddington tensor with a particular Eddington factor. Moreover, different source and border terms occur. The latter introduce couplings between the macroscopic and microscopic quantities and between the + and - streams, through the intensity in the plane perpendicular to the flux. The main theoretical application of the half moment model, treated in this paper, is its reduction to a full moment model, called M(sup +)(sub 1), for the particular but important case of a hot, opaque source radiating in a cold transparent (or semi-transparent) medium for very specific applications, such as stellar interiors or atmospheres, or combustion problems. The structure of the paper is as follows. In section 2, the model M(sup 1/2)(sub 1) is presented. In section 3, for the particular case of a hot, opaque source radiating into a cold medium, the half moment model is reduced to the M(sup +)(sub 1) model. In section 4, we first solve a simple and academic problem to validate the models, followed by a simplified solar atmosphere.

Ripoll, J.-F.↗