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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Van der Waals Sandwich Structures for Surface-Enhanced Raman Scattering

Surface-enhanced Raman scattering (SERS) intensity of two-dimensional (2D) materials critically depends on the resonant conditions and factors such as the substrate interferences and molecule adsorption fluctuations, making comprehensive investigation, understanding, and optimization of 2D materials-assisted SERS challenging. Here, in this work, the wavelength-dependent SERS of van der Waals structures of 2D materials is systematically investigated, focusing on the intrinsic frequency-dependent Raman tensors by first-principles method while ruling out other extrinsic factors in experiments. Distinct enhancement profiles are found for different 2D materials, among which MoS2 and graphene exhibit remarkably strong and broadband enhancement effects. For stacked multilayers and heterostructures of 2D materials, the calculated SERS addresses the significance of the first contact monolayer effect. Based on the above theory, the van der Waals sandwich structures are proposed and investigated as the SERS substrates, verifying a further significantly enhanced SERS performance. This resonant first-principles study demonstrates a comprehensive and analytical way to explore and promote the SERS of van der Waals structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Sparse tensor spherical harmonics approximation in radiative transfer

The stationary monochromatic radiative transfer equation is a partial differential transport equation stated on a five-dimensional phase space. To obtain a well-posed problem, boundary conditions have to be prescribed on the inflow part of the domain boundary. We solve the equation with a multi-level Galerkin FEM in physical space and a spectral discretization with harmonics in solid angle and show that the benefits of the concept of sparse tensor products, known from the context of sparse grids, can also be leveraged in combination with a spectral discretization. Our method allows us to include high spectral orders without incurring the 'curse of dimension' of a five-dimensional computational domain. Neglecting boundary conditions, we find analytically that for smooth solutions, the convergence rate of the full tensor product method is retained in our method up to a logarithmic factor, while the number of degrees of freedom grows essentially only as fast as for the purely spatial problem. For the case with boundary conditions, we propose a splitting of the physical function space and a conforming tensorization. Numerical experiments in two physical and one angular dimension show evidence for the theoretical convergence rates to hold in the latter case as well.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Extended chiral Hartree-Fock model for nuclear matter

We study the properties of nuclear matter with extended chiral Hartree-Fock model. The two-particle-two-hole (2p-2h) states are introduced in the nucleon ground wave function to take the tensor components of pion into account. We also consider the form factor effect of pion to regularize its high momentum behavior. We find that the pion contribution from 2p-2h states plays a very important role in the saturation mechanism of nuclear matter. Furthermore, the saturation properties are also influenced by the cut-off moment of form factor.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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 OSTI2025

Violation of energy conditions and the gravitational radius of the proton

The energy-momentum tensor (EMT) of the proton encodes fundamental information about its mass, pressure, and shear distributions. Using recent lattice QCD data for the gravitational form factors, we show that the Breit-frame Wigner EMT may be of Hawking-Ellis type IV in the proton’s core. Such EMT violates all pointwise energy conditions and lacks a causal rest frame so that the usual mechanical picture fails at short distances. We define the —a new hadronic observable—marking the scale where the EMT becomes ordinary (type I) and the classical interpretation is restored. We also derive from the averaged null energy condition nonperturbative, model-independent quantum field theory constraints on gravitational form factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Streaming Generalized Canonical Polyadic Tensor Decompositions

In this paper, we develop a method which we call OnlineGCP for computing the Generalized Canonical Polyadic (GCP) tensor decomposition of streaming data. GCP differs from traditional canonical polyadic (CP) tensor decompositions as it allows for arbitrary objective functions which the CP model attempts to minimize. This approach can provide better fits and more interpretable models when the observed tensor data is strongly non-Gaussian. In the streaming case, tensor data is gradually observed over time and the algorithm must incrementally update a GCP factorization with limited access to prior data. In this work, we extend the GCP formalism to the streaming context by deriving a GCP optimization problem to be solved as new tensor data is observed, formulate a tunable history term to balance reconstruction of recently observed data with data observed in the past, develop a scalable solution strategy based on segregated solves using stochastic gradient descent methods, describe a software implementation that provides performance and portability to contemporary CPU and GPU architectures and integrates with Matlab for enhanced usability, and demonstrate the utility and performance of the approach and software on several synthetic and real tensor data sets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Aβ [Eβ] in 37K decay: new physics with opposite β helicity

By extending our analysis and simulations of our K -decay data set to allow the asymmetry with respect to nuclear spin to vary with energy , we have gained sensitivity to new physics that depends on a helicity factor for the , . In particular, we constrain Lorentz scalar and tensor quark-lepton interaction strengths at a sensitivity complementary to the similar Fierz interference term in neutron decay. Our result for that new physics is = 0.033 0.084 (stat) 0.039 (syst), consistent with the standard model electroweak interaction value . We consider presently achieved complementarity to -decay and particle physics experiments, along with projectable technical improvements to our method.

Behr, J. A.↗
DOE OSTI2018

Reduced scaling Hilbert space variational Monte Carlo

We show that for both single-Slater-Jastrow and Jastrow geminal power wave functions the formal cost scaling of Hilbert space variational Monte Carlo can be reduced from fifth to fourth order in the system size, thus bringing it in line with the long-standing scaling of its real space counterpart. While traditional quantum chemistry methods can reduce costs related to the two-electron integral tensor through various tensor decomposition methods, we show that such approaches are ineffective in the presence of Hilbert space Jastrow factors. Instead, we develop a simple semi-stochastic approach that can take similar advantage of the near-sparsity of this four-index tensor. Through demonstrations on alkanes of increasing length, we show that accuracy and overall statistical uncertainty are not meaningfully affected and that a total cost crossover is reached as early as 50 electrons when using a minimal basis. Further study will be needed to assess where the crossover occurs in more compact molecular geometries and larger basis sets and to explore how in that context the crossover can be accelerated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

On the role of the chaotic velocity in relativistic kinetic theory

In this paper we revisit the concept of chaotic velocity within the context of relativistic kinetic theory. Its importance as the key ingredient which allows to clearly distinguish convective and dissipative effects is discussed to some detail. Also, by addressing the case of the two component mixture, the relevance of the barycentric comoving frame is established and thus the convenience for the introduction of peculiar velocities for each species. The fact that the decomposition of molecular velocity in systematic and peculiar components does not alter the covariance of the theory is emphasized. Moreover, we show that within an equivalent decomposition into space-like and time-like tensors, based on a generalization of the relative velocity concept, the Lorentz factor for the chaotic velocity can be expressed explicitly as an invariant quantity. This idea, based on Ellis' theorem, allows to foresee a natural generalization to the general relativistic case.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Gravitational form factors of charmonia

We investigate the gravitational form factors of charmonium. Our method is based on a Hamiltonian formalism on the light front known as basis light-front quantization. The charmonium mass spectrum and light-front wave functions were obtained from diagonalizing an effective Hamiltonian that incorporates confinement from holographic QCD and one-gluon exchange interaction from light-front QCD. We proposed a quantum many-body approach to construct the hadronic matrix elements of the energy momentum tensor T + + and T + − , which are used to extract the gravitational form factors A ( Q 2 ) and D ( Q 2 ) . The obtained form factors satisfy the known constraints, e.g., the von Laue condition. From these quantities, we also extract the energy, pressure and light-front energy distributions of the system. We find that hadrons are multilayer systems. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2015

Symmetry breaking indication for supergravity inflation in light of the Planck 2015

Supergravity (SUGRA) theories with exact global U(1) symmetry or shift symmetry in Kähler potential provide natural frameworks for inflation. However, quadratic inflation is disfavoured by the new results on primordial tensor fluctuations from the Planck Collaboration. To be consistent with the new Planck data, we point out that the explicit symmetry breaking is needed, and study these two SUGRA inflation in detail. For SUGRA inflation with global U(1) symmetry, the symmetry breaking term leads to a trigonometric modulation on inflaton potential. Coefficient of the U(1) symmetry breaking term is of order 10{sup −2}, which is sufficient large to improve the inflationary predictions while its higher order corrections are negligible. Such models predict sizeable tensor fluctuations and highly agree with the Planck results. In particular, the model with a linear U(1) symmetry breaking term predicts the tensor-to-scalar ratio around r∼0.01 and running spectral index α{sub s∼} −0.004, which comfortably fit with the Planck observations. For SUGRA inflation with breaking shift symmetry, the inflaton potential is modulated by an exponential factor. The modulated linear and quadratic models are consistent with the Planck observations. In both types of models the tensor-to-scalar ratio can be of order 10{sup −2}, which will be tested by the near future observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Primordial perturbations from dilaton-induced gauge fields

We study the primordial scalar and tensor perturbations in inflation scenario involving a spectator dilaton field. In our setup, the rolling spectator dilaton causes a tachyonic instability of gauge fields, leading to a copious production of gauge fields in the superhorizon regime, which generates additional scalar and tensor perturbations through gravitational interactions. Our prime concern is the possibility to enhance the tensor-to-scalar ratio r relative to the standard result, while satisfying the observational constraints. To this end, we allow the dilaton field to be stabilized before the end of inflation, but after the CMB scales exit the horizon. We show that for the inflaton slow roll parameter ε ∼> 10{sup −3}, the tensor-to-scalar ratio in our setup can be enhanced only by a factor of O(1) compared to the standard result. On the other hand, for smaller ε corresponding to a lower inflation energy scale, a much bigger enhancement can be achieved, so that our setup can give rise to an observably large r∼> 10{sup −2} even when ε|| 10{sup −3}. The tensor perturbation sourced by the spectator dilaton can have a strong scale dependence, and is generically red-tilted. We also discuss a specific model to realize our scenario, and identify the parameter region giving an observably large r for relatively low inflation energy scales.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

The principal component analysis method used with polynomial Chaos expansion to propagate uncertainties through critical transport problems

A critical neutron transport problem with random material properties is introduced. The total cross section and the average neutron multiplicity are assumed to be uncertain, characterized by the mean and variance with a log-normal distribution. The average neutron multiplicity and the total cross section are assumed to be uncorrected and the material properties for differing materials are also assumed to be uncorrected. The principal component analysis method is used to decompose the covariance matrix into eigenvalues and eigenvectors and then 'realizations' of the material properties can be computed. A simple Monte Carlo brute force sampling of the decomposed covariance matrix is employed to obtain a benchmark result for each test problem. In order to save computational time and to characterize the moments and probability density function of the multiplication factor the polynomial chaos expansion method is employed along with the stochastic collocation method. A Gauss-Hermite quadrature set is convolved into a multidimensional tensor product quadrature set and is successfully used to compute the polynomial chaos expansion coefficients of the multiplication factor. Finally, for a particular critical fuel pin assembly the appropriate number of random variables and polynomial expansion order are investigated. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Experimental evaluation of electrical conductivity imaging of anisotropic brain tissues using a combination of diffusion tensor imaging and magnetic resonance electrical impedance tomography

Anisotropy of biological tissues is a low-frequency phenomenon that is associated with the function and structure of cell membranes. Imaging of anisotropic conductivity has potential for the analysis of interactions between electromagnetic fields and biological systems, such as the prediction of current pathways in electrical stimulation therapy. To improve application to the clinical environment, precise approaches are required to understand the exact responses inside the human body subjected to the stimulated currents. In this study, we experimentally evaluate the anisotropic conductivity tensor distribution of canine brain tissues, using a recently developed diffusion tensor-magnetic resonance electrical impedance tomography method. At low frequency, electrical conductivity of the biological tissues can be expressed as a product of the mobility and concentration of ions in the extracellular space. From diffusion tensor images of the brain, we can obtain directional information on diffusive movements of water molecules, which correspond to the mobility of ions. The position dependent scale factor, which provides information on ion concentration, was successfully calculated from the magnetic flux density, to obtain the equivalent conductivity tensor. By combining the information from both techniques, we can finally reconstruct the anisotropic conductivity tensor images of brain tissues. The reconstructed conductivity images better demonstrate the enhanced signal intensity in strongly anisotropic brain regions, compared with those resulting from previous methods using a global scale factor.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Emergent classical spacetime from microstates of an incipient black hole

Black holes have an enormous underlying space of microstates, but universal macroscopic physics characterized by mass, charge and angular momentum as well as a causally disconnected interior. This leads two related puzzles: (1) How does the effective factorization of interior and exterior degrees of freedom emerge in gravity?, and (2) How does the underlying degeneracy of states wind up having a geometric realization in the horizon area and in properties of the singularity? We explore these puzzles in the context of an incipient black hole in the AdS/CFT correspondence, the microstates of which are dual to half-BPS states of the $\mathcal{N}$ = 4 super-Yang-Mills theory. First, we construct a code subspace for this black hole and show how to organize it as a tensor product of a universal macroscopic piece (describing the exterior), and a factor corresponding to the microscopic degrees of freedom (describing the interior). We then study the classical phase space and symplectic form for low-energy excitations around the black hole. On the AdS side, we find that the symplectic form has a new physical degree of freedom at the stretched horizon of the black hole, reminiscent of soft hair, which is absent in the microstates. We explicitly show how such a soft mode emerges from the microscopic phase space in the dual CFT via a canonical transformation and how it encodes partial information about the microscopic degrees of freedom of the black hole.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Trace anomaly form factors from lattice QCD

The hadron mass can be obtained through the calculation of the trace of the energy-momentum tensor in the hadron which includes the trace anomaly and sigma terms. The anomaly due to conformal symmetry breaking is believed to be an important ingredient for hadron mass generation and confinement. In this work, we will present the calculation of the glue part of the trace anomaly form factors of the pion up to Q 2 ∼ 4.3 GeV 2 and the nucleon up to Q 2 ∼ 1 GeV 2 . The calculations are performed on a domain wall fermion ensemble with overlap valence quarks at seven valence pion masses varying from ∼ 250 to ∼ 540 MeV , including the unitary point ∼ 340 MeV . We calculate the radius of the glue trace anomaly for the pion and the nucleon from the z expansion. By performing a two-dimensional Fourier transform on the glue trace anomaly form factors in the infinite momentum frame with no energy transfer, we also obtain their spatial distributions for several valence quark masses. The results are qualitatively extrapolated to the physical valence pion mass with systematic errors from the unphysical sea quark mass, discretization effects in the renormalization sum rule, and finite-volume effects to be addressed in the future. We find the pion’s form factor changes sign, as does its spatial distribution, for light quark masses. This explains how the trace anomaly contribution to the pion mass approaches zero toward the chiral limit. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Inflation alternative via the gravitational field of a singularity

Abstract We explore the scenario that the observable Universe emerged from the vicinity of a negative mass ring singularity, and all content of the Universe travels at the same group velocity close to the speed of light on a geodesic trajectory along the axis of rotation of the singularity. In appropriate coordinate parametrization and evaluated on the trajectory, we find that the metric tensor in the vicinity of the trajectory exhibits a conformal scale factor a ( η ) with contraction and subsequent expansion properties that solve the horizon problem. We then introduce a static flow of gravitating radiation along the trajectory (perturbatively with respect to the mass scale of the singularity) to model a homogeneous radiation dominated Universe. Solving the Einstein field equations with a physically motivated ansatz of metric perturbation then reveals that the effective conformal scale factor indeed grows asymptotically with the same power law as expected in a conventional radiation dominated Universe.

Astronomy & Astrophysics↗
DOE OSTI2018

Plasma equilibrium with fast ion orbit width, pressure anisotropy, and toroidal flow effects

Here, we formulate the problem of tokamak plasma equilibrium including the toroidal flow and fast ion (or energetic particle, EP) pressure anisotropy and the finite drift orbit width (FOW) effects. The problem is formulated via the standard Grad-Shafranov equation (GShE) amended by the solvability condition which imposes physical constraints on allowed spacial dependencies of the anisotropic pressure. The GShE problem employs the pressure coupling scheme and includes the dominant diagonal terms and non-diagonal corrections to the standard pressure tensor. The anisotropic tensor elements are obtained via the distribution function represented in the factorized form via the constants of motion. Considered effects on the plasma equilibrium are estimated analytically, if possible, to understand their importance for GShE tokamak plasma problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗