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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Parameter Sensitivity Analysis of the SparTen High Performance Sparse Tensor Decomposition Software (Extended Analysis)

Tensor decomposition models play an increasingly important role in modern data science applications. One problem of particular interest is fitting a low-rank Canonical Polyadic (CP) tensor decomposition model when the tensor has sparse structure and the tensor elements are nonnegative count data. SparTen is a high-performance C++ library which computes a low-rank decomposition using different solvers: a first-order quasi-Newton or a second-order damped Newton method, along with the appropriate choice of runtime parameters. Since default parameters in SparTen are tuned to experimental results in prior published work on a single real-world dataset conducted using MATLAB implementations of these methods, it remains unclear if the parameter defaults in SparTen are appropriate for general tensor data. Furthermore, it is unknown how sensitive algorithm convergence is to changes in the input parameter values. This report addresses these unresolved issues with large-scale experimentation on three benchmark tensor data sets. Experiments were conducted on several different CPU architectures and replicated with many initial states to establish generalized profiles of algorithm convergence behavior.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

The effect of elastic strains on the adsorption energy of H, O, and OH in transition metals

The influence of elastic strains on the adsorption of H, O, and OH on the (111) surfaces of 8 fcc (Ni, Cu, Pd, Ag, Pt, Au, Rh, Ir) and on the (0001) surfaces of 3 hcp (Co, Zn, Cd) transition metals was analyzed by means of density functional theory calculations. To this end, surface slabs were subjected to different strain states (uniaxial, biaxial, shear, and a combination of them) up to strains dictated by the mechanical stability limits indicated by phonon calculations. It was found that the adsorption energy followed the predictions of the d-band theory but – surprisingly – the variations in the adsorption energy only depended on the area of the adsorption hole and not on the particular elastic strain tensor applied to achieve this area. The analysis of the electronic structure showed that the applied strains did not modify the shape of the Projected Density of States (PDOS) of the d-orbitals of the transition metals but only led to a shift in the energy levels. Moreover, the presence of the adsorbates on the surfaces led to negligible changes in the PDOS. Thus, the adsorption energies were a function of the Fermi energy which in turn was associated with the change of the area of the adsorption through a general linear law that was valid for all metals. Furthermore, the information in this paper allows the immediate and accurate estimation of the effect of any elastic strain on the adsorption energies of H, O, and OH in 11 transition metals with more than half-filled d-orbitals.

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

Diagonal isometric form for tensor network states in two dimensions

Isometric tensor network states (isoTNS) generalize the isometric form of the one-dimensional matrix product states to tensor networks in two and higher dimensions. Here, we introduce an alternative isometric form for isoTNS by incorporating auxiliary tensors to represent the orthogonality hypersurface. We implement the time evolving block decimation algorithm on this new isometric form and benchmark the method by computing ground states and the real time evolution of the transverse field Ising model in two dimensions on large square lattices of up to 1250 sites. Our results demonstrate that isoTNS can efficiently capture the entanglement structure of two-dimensional area law states. The short-time dynamics is also accurately reproduced even at the critical point. Our isoTNS formulation further allows for a natural extension to different lattice geometries, such as the honeycomb or kagome lattice.

2-dimensional systems↗
DOE OSTI2021

Assessment of MOOSE-Based Tools for Calculating Radial Core Expansion

Radial core expansion in liquid-metal cooled fast reactor systems is a well-known phenomenon that produces strong reactivity feedback effects. An inherently safe reactor design takes advantage of negative reactivity feedback in accident scenarios by utilizing a core restraint system which produces a bowed shape that allows for radial expansion of the fuel regions. Detailed modeling and simulation of core radial expansion itself as well as subsequent reactivity feedback is a challenging task involving contact of many fuel assembly elements and physics feedback from neutronics, thermal hydraulics, and thermal mechanical response. A variety of physics codes have been developed to model aspects of radial core expansion but in general invoke geometrical or physics approximations. No code system currently exists which tightly and robustly couples these physics with enough detail to fully resolve the complex core radial expansion reactivity feedback effects. The future availability of such a code system is of vital importance to fully understanding the reactivity feedback effects that occur due to radial expansion, and consequently to optimizing the design of the core restraint system. A high-fidelity code will also be used to benchmark existing lower fidelity, faster running models to understand their benefits, limitations, and range of applications. A code development path using MOOSE-based tools is proposed in order to leverage the detailed geometry capabilities and natural tight coupling and robustness of MOOSE-based applications for modeling this complex phenomena. While simulation of the full phenomenon involves several physics, an assessment has been initiated on the capabilities and readiness of the currently available Tensor Mechanics module within MOOSE for calculation of the structural mechanical responses which occur within the reactor core. This report focuses on modeling the force-deformation response which mimics the physics of a duct contact deformation, as well as differential thermal expansion which produces a thermal bowed shaped for the fuel assemblies in a core. Simple examples were initially performed such as simple supported beam bending under load. The complexity of examples was progressively increased to better mimic the duct behavior by including a differential thermal example and inclusion of hexagonal cross-sections in the geometry. Further assessment of the structural mechanical response simulation capability is still required for modeling duct contact interactions and irradiation creep and swelling. Companion thermal hydraulic and neutronics assessments will also be required; these activities are planned for future years. Finally, integration of the multiple physics components through MOOSE is required to predict the core radial expansion and subsequent feedback effects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Interaction of radio frequency waves with cylindrical density filaments: scattering and radiation pressure

The propagation of radio-frequency (RF) waves in tokamaks can be affected by filamentary structures, or blobs, that are present in the edge plasma and the scrape-off layer. The difference in the permittivity between the surrounding plasma and interior of a filament leads to reflection, refraction and diffraction of the waves. This, in turn, can affect the power flow into the core of the plasma and reduce the efficiency of heating and/or current generation. The scattering of RF waves, lower hybrid, helicon and ion cyclotron waves, by a single cylindrical filament, embedded in a background plasma, is studied using a full-wave analytical theory developed previously (Ram & Hizanidis, Phys. Plasmas , vol. 23, 2016, 022504). The theory assumes that the plasma in and around a filament is homogeneous and cold. A detailed scattering analysis reveals a variety of common features that exist among the three distinctly different RF waves. These common attributes can be inferred intuitively based on an examination of the cold plasma dispersion relation. The physical intuition is a useful step to understanding experimental observations on scattering, as well as results from simulations that include general forms of edge plasma turbulence. While a filament can affect the propagation of RF waves, the radiation force exerted by the waves can influence the filament. The force on a filament is determined using the Maxwell stress tensor. In 1905, Poynting was the first to evaluate and measure the radiation force on an interface separating two different dielectric media (Poynting, London Edinburgh Dublin Philos. Mag. J. Sci. , vol. 9, 1905, pp. 393–406). For ordinary light propagating in vacuum and incident on a glass surface, Poynting noted that the surface is ‘pulled’ towards the vacuum. In a magnetized cold plasma, there are two independent wave modes. Even if only one of these modes is excited by an RF antenna, a filament will couple power to the other mode: a consequence of electromagnetic boundary conditions. This facet of scattering has consequences on the radiation force that go beyond Poynting's seminal contribution. The direction of the force depends on the polarization of the incident wave and on the mode structure of the waves inside and in the vicinity of a filament. It can either pull the filament toward the RF source or push it away. For slow lower hybrid waves, filaments with densities greater than the ambient density are pulled in, while filaments with lower densities are pushed out, thereby enhancing the density in front of the antenna. In the case of fast helicon and ion cyclotron waves, the direction of the force depends on the plasma and wave parameters; in particular, on the ambient density. The radiation force, in all three frequency ranges, is large enough to affect the motion of a filament and could be measured experimentally. This also suggests the possibility of modifying the edge turbulence using RF waves.

Physics↗
DOE OSTI2022

Interaction of radio frequency waves with cylindrical density filaments -- scattering and radiation pressure

The propagation of radio-frequency (RF) waves in tokamaks can be affected by filamentary structures, or blobs, that are present in the edge plasma and the scrape-off layer. The difference in the permittivity between the surrounding plasma and interior of a filament leads to reflection, refraction and diffraction of the waves. This, in turn, can affect the power flow into the core of the plasma and reduce the efficiency of heating and/or current generation. The scattering of RF waves, lower hybrid, helicon and ion cyclotron waves, by a single cylindrical filament, embedded in a background plasma, is studied using a full-wave analytical theory developed previously (Ram & Hizanidis, Phys. Plasmas, vol. 23, 2016, 022504). The theory assumes that the plasma in and around a filament is homogeneous and cold. A detailed scattering analysis reveals a variety of common features that exist among the three distinctly different RF waves. These common attributes can be inferred intuitively based on an examination of the cold plasma dispersion relation. The physical intuition is a useful step to understanding experimental observations on scattering, as well as results from simulations that include general forms of edge plasma turbulence. While a filament can affect the propagation of RF waves, the radiation force exerted by the waves can influence the filament. The force on a filament is determined using the Maxwell stress tensor. In 1905, Poynting was the first to evaluate and measure the radiation force on an interface separating two different dielectric media (Poynting, London Edinburgh Dublin Philos. Mag. J. Sci., vol. 9, 1905, pp. 393–406). For ordinary light propagating in vacuum and incident on a glass surface, Poynting noted that the surface is ‘pulled’ towards the vacuum. In a magnetized cold plasma, there are two independent wave modes. Even if only one of these modes is excited by an RF antenna, a filament will couple power to the other mode: a consequence of electromagnetic boundary conditions. This facet of scattering has consequences on the radiation force that go beyond Poynting's seminal contribution. The direction of the force depends on the polarization of the incident wave and on the mode structure of the waves inside and in the vicinity of a filament. It can either pull the filament toward the RF source or push it away. For slow lower hybrid waves, filaments with densities greater than the ambient density are pulled in, while filaments with lower densities are pushed out, thereby enhancing the density in front of the antenna. In the case of fast helicon and ion cyclotron waves, the direction of the force depends on the plasma and wave parameters; in particular, on the ambient density. The radiation force, in all three frequency ranges, is large enough to affect the motion of a filament and could be measured experimentally. This also suggests the possibility of modifying the edge turbulence using RF waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Ultrafast terahertz emission from emerging symmetry-broken materials

Abstract Nonlinear optical spectroscopies are powerful tools for investigating both static material properties and light-induced dynamics. Terahertz (THz) emission spectroscopy has emerged in the past several decades as a versatile method for directly tracking the ultrafast evolution of physical properties, quasiparticle distributions, and order parameters within bulk materials and nanoscale interfaces. Ultrafast optically-induced THz radiation is often analyzed mechanistically in terms of relative contributions from nonlinear polarization, magnetization, and various transient free charge currents. While this offers material-specific insights, more fundamental symmetry considerations enable the generalization of measured nonlinear tensors to much broader classes of systems. We thus frame the present discussion in terms of underlying broken symmetries, which enable THz emission by defining a system directionality in space and/or time, as well as more detailed point group symmetries that determine the nonlinear response tensors. Within this framework, we survey a selection of recent studies that utilize THz emission spectroscopy to uncover basic properties and complex behaviors of emerging materials, including strongly correlated, magnetic, multiferroic, and topological systems. We then turn to low-dimensional systems to explore the role of designer nanoscale structuring and corresponding symmetries that enable or enhance THz emission. This serves as a promising route for probing nanoscale physics and ultrafast light-matter interactions, as well as facilitating advances in integrated THz systems. Furthermore, the interplay between intrinsic and extrinsic material symmetries, in addition to hybrid structuring, may stimulate the discovery of exotic properties and phenomena beyond existing material paradigms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Disentangling ( 2 + 1 ) D topological states of matter with entanglement negativity

We use the entanglement negativity, a bipartite measure of entanglement in mixed quantum states, to study how multipartite entanglement constrains the real-space structure of the ground state wavefunctions of (2 + 1)-dimensional topological phases. We focus on the (Abelian) Laughlin and (non-Abelian) Moore-Read states at filling fraction ν = 1/m. We show that a combination of entanglement negativities, calculated with respect to specific cylinder and torus geometries, determines a necessary condition for when a topological state can be disentangled, i.e., factorized into a tensor product of states defined on cylinder subregions. This condition, which requires the ground state to lie in a definite topological sector, is sufficient for the Laughlin state. On the other hand, we find that a general Moore-Read ground state cannot be disentangled even when the disentangling condition holds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

An experimental program with high duty-cycle polarized and unpolarized positron beams at Jefferson Lab

Positron beams, both polarized and unpolarized, are identified as important ingredients for the experimental programs at the next generation of lepton accelerators. In the context of the hadronic physics program at Jefferson Lab (JLab), positron beams are complementary, even essential, tools for a precise understanding of the electromagnetic structure of nucleons and nuclei, in both the elastic and deep-inelastic regimes. For instance, elastic scattering of polarized and unpolarized electrons and positrons from the nucleon enables a model independent determination of its electromagnetic form factors. Also, the deeply-virtual scattering of polarized and unpolarized electrons and positrons allows unambiguous separation of the different contributions to the cross section of the lepto-production of photons and of lepton-pairs, enabling an accurate determination of the nucleons and nuclei generalized parton distributions, and providing an access to the gravitational form factors of the energy-momentum tensor. Furthermore, positron beams offer the possibility of alternative tests of the Standard Model of particle physics through the search of a dark photon, the precise measurement of electroweak couplings, and the investigation of charged lepton flavor violation. This document discusses the perspectives of an experimental program with high duty-cycle positron beams at JLab.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1980

Theory of electromagnetic transmission structures. I - Relativistic foundation and network formalisms

A new theorem on a class of four-dimensional skew-symmetric tensors is demonstrated. Coupled with the relativistic covariant form of Maxwell's equations, this theorem consolidates the classifications of guided waves by combining the three types - TE, TM, TEM - under a uniform condition applied to the generating four-potential which is Lorentz invariant. Each type corresponds to a potential of which a pair of the four components vanishes in a particular frame. Through appropriate normalization conditions, the resulting time-domain equations for the field amplitudes are readily reduced to modified telegraphist equations, which in turn lead to distributed network representations for each of the three types. The ambiguity of distributed network formalisms in general is elucidated and the concept of network parameter densities such as traditionally employed in TEM transmission line theory is questioned.

Gabriel, G. J.↗
NASA NTRS1969

ELAS: A general-purpose computer program for the equilibrium problems of linear structures. Volume 2: Documentation of the program

A general purpose digital computer program for the in-core solution of linear equilibrium problems of structural mechanics is documented. The program requires minimum input for the description of the problem. The solution is obtained by means of the displacement method and the finite element technique. Almost any geometry and structure may be handled because of the availability of linear, triangular, quadrilateral, tetrahedral, hexahedral, conical, triangular torus, and quadrilateral torus elements. The assumption of piecewise linear deflection distribution insures monotonic convergence of the deflections from the stiffer side with decreasing mesh size. The stresses are provided by the best-fit strain tensors in the least squares at the mesh points where the deflections are given. The selection of local coordinate systems whenever necessary is automatic. The core memory is used by means of dynamic memory allocation, an optional mesh-point relabelling scheme and imposition of the boundary conditions during the assembly time.

Utku, S.↗
NASA NTRS1975

On the oscillation of the laterally heterogeneous earth, 1

The perturbative effects, as cause by lateral inhomogeneities in the earth structure and by Coriolis force, contaminate the originally toroidal and spheroidal earth's oscillations, making them of mixed type. For this reason, in order to make the computation of the perturbations more uniform and homogeneous, it was suggested that the earth's free oscillations be expanded into a series in terms of generalized harmonics familiar from the theory of angular momentum in quantum mechanics. Making use of Gibbsian symbolism and of some operators from the theory of angular momentum, explicit expressions were deduced for the perturbative terms in the differential equation of the earth's free oscillations. Decomposition of the strain tensor in terms of canonical vectors was also obtained.

Musen, P.↗
DOE OSTI2020

Normal modes in thermal AdS via the Selberg zeta function

The heat kernel and quasinormal mode methods of computing 1-loop partition functions of spin s s fields on hyperbolic quotient spacetimes \mathbb{H}^{3}/\mathbb{Z} ℍ 3 / ℤ are related via the Selberg zeta function. We extend that analysis to thermal \text{AdS}_{2n+1} AdS 2 n + 1 backgrounds, with quotient structure \mathbb{H}^{2n+1}/\mathbb{Z} ℍ 2 n + 1 / ℤ . Specifically, we demonstrate the zeros of the Selberg function encode the normal mode frequencies of spin fields upon removal of non-square-integrable modes. With this information we construct the 1-loop partition functions for symmetric transverse traceless tensors in terms of the Selberg zeta function and find exact agreement with the heat kernel method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Geometric integration of classical spin dynamics via a mean-field Schrödinger equation

The Landau-Lifshitz equation describes the time evolution of magnetic dipoles and can be derived by taking the classical limit of a quantum mechanical spin Hamiltonian. To take this limit, one constrains the many-body quantum state to a tensor product of coherent states, thereby neglecting entanglement between sites. Expectation values of the quantum spin operators produce the usual classical spin dipoles. One may also consider expectation values of polynomials of the spin operators, leading to quadrupole and higher-order spin moments, which satisfy a dynamical equation of motion that generalizes the Landau-Lifshitz dynamics [Zhang and Batista, Phys. Rev. B 104, 104409 (2021)]. Here we reformulate the dynamics of these N 2 –1 generalized spin components as a mean-field Schrödinger equation on the N-dimensional coherent state. Furthermore, this viewpoint suggests efficient integration methods that respect the local symplectic structure of the classical spin dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

High-dimensional data analytics in civil engineering: A review on matrix and tensor decomposition

Recent developments in sensing and monitoring techniques have led to the generation of high-dimensional data in the field of civil engineering. High-dimensional data analytics methods have thus been developed to interpret such complex data. Among the different high-dimensional data analytics techniques, matrix and tensor decomposition methods have acquired a notable interest in the civil engineering community over the past decade. Due to their unique ability to deal with highly redundant and correlated data, these methods are establishing themselves as promising and efficient tools to analyze high-dimensional data in the civil engineering arena. In this paper, high-dimensional data is referred to as a data set in which the number of features is comparable or larger than the number of observations. This review paper aims to summarize the applications of matrix and tensor decomposition methods in civil engineering over the last decade. The survey begins with a general overview of matrix and tensor decomposition followed by highlighting their significance in the field. Afterward, various applications of these high-dimensional data analytics methods in civil engineering are presented, while the advantages offered by these methods are discussed. Lastly, challenges and potential research avenues for employing matrix and tensor decomposition and future emerging trends for their novel use are highlighted.

42 ENGINEERING↗
DOE OSTI2020

Density-Matrix Based Extended Lagrangian Born–Oppenheimer Molecular Dynamics

Extended Lagrangian Born–Oppenheimer molecular dynamics [ Phys. Rev. Lett. 2008, 100, 123004] is presented for Hartree–Fock theory, where the extended electronic degrees of freedom are represented by a density matrix, including fractional occupation numbers at elevated electronic temperatures. In contrast to regular direct Born–Oppenheimer molecular dynamics simulations, no iterative self-consistent field optimization is required prior to the force evaluations. To sample regions of the potential energy landscape where the gap is small or vanishing, which leads to particular convergence problems in regular direct Born–Oppenheimer molecular dynamics simulations, an adaptive integration scheme for the extended electronic degrees of freedom is presented. The integration scheme is based on a tunable, low-rank approximation of a fourth-order kernel, K, that determines the metric tensor, T ≡ K T K, used in the extended harmonic oscillator of the Lagrangian that generates the dynamics of the electronic degrees of freedom. Here, the formulation and algorithms provide a general guide to implement extended Lagrangian Born–Oppenheimer molecular dynamics for quantum chemistry, density functional theory, and semiempirical methods using a density matrix formalism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Scattering theory in noncanonical phase space: A Drift-Kinetic collision operator for weakly collisional plasmas

After developing a scattering theory for grazing collisions in general noncanonical phase spaces, we introduce a guiding center collision operator in five-dimensional phase space designed for plasma regimes characterized by long wavelengths (relative to the Larmor radius), low frequencies (relative to the cyclotron frequency), and weak collisionality (where repeated Coulomb collisions induce cumulatively small changes in particle magnetic moment). The collision operator is fully determined by the noncanonical Hamiltonian structure of guiding center dynamics and exhibits a metriplectic structure, ensuring the conservation of particle number, momentum, energy, and interior Casimir invariants. It also satisfies an H-theorem, allowing for deviations from an equilibrium Maxwellian distribution due to the nontrivial kernel of the noncanonical guiding center Poisson tensor, spanned by the magnetic moment. We propose that this collision operator and its underlying mathematical structure may offer valuable insight into the study of turbulence, transport, and self-organizing phenomena in both laboratory and astrophysical plasmas.

Hamiltonian mechanics↗
DOE OSTI2025

Can Neutron Star Tidal Effects Obscure Deviations from General Relativity?

Abstract One of the main goals of gravitational-wave astrophysics is to study gravity in the strong-field regime and constrain deviations from general relativity (GR). Any such deviation affects not only binary dynamics and gravitational-wave emission but also the structure and tidal properties of compact objects. In the case of neutron stars, masses, radii, and tidal deformabilities can all differ significantly between different theories of gravity. Currently, the measurement uncertainties in neutron star radii and tidal deformabilities are quite large. However, much less is known about how the large uncertainty in the nuclear equation of state (EOS) might affect tests of GR using binary neutron star mergers. Conversely, using the wrong theory of gravity might lead to incorrect constraints on the nuclear EOS. Here, we study this problem within scalar–tensor (ST) theory. We apply the recently derived ℓ = 2 tidal Love numbers in this theory to parameter estimation of GW170817. Correspondingly, we test if physics beyond GR could bias measurements of the nuclear EOS and neutron star radii. We find that parameter inference for both the GR and ST cases returns consistent component masses and tidal deformabilities. The radius and the EOS posteriors, however, differ between the two theories, but neither is excluded by current observational limits. This indicates that measurements of the nuclear EOS may be biased and that deviations from GR could go undetected when analyzing current binary neutron star mergers.

79 ASTRONOMY AND ASTROPHYSICS↗