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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A Cartesian parametrization for the numerical analysis of material instability

We examine four parametrizations of the unit sphere in the context of material stability analysis by means of the singularity of the acoustic tensor. We then propose a Cartesian parametrization for vectors that lie a cube of side length two and use these vectors in lieu of unit normals to test for the loss of the ellipticity condition. This parametrization is then used to construct a tensor akin to the acoustic tensor. It is shown that both of these tensors become singular at the same time and in the same planes in the presence of a material instability. Furthermore, the performance of the Cartesian parametrization is compared against the other parametrizations, with the results of these comparisons showing that in general, the Cartesian parametrization is more robust and more numerically efficient than the others.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Results and forecasts on cosmic inflation from weak lensing

Here, we highlight the role of weak lensing measurements from current and upcoming stage-IV imaging surveys in the search for cosmic inflation, specifically in measuring the scalar spectral index n s . To do so, we combine the Dark Energy Survey 3 years of observation weak lensing and clustering data with Bicep/Keck, Planck, and Sloan Digital Sky Survey data in r⁢Λ⁢ CDM (cold dark matter) where r is the tensor-to-scalar ratio. While there is no significant improvement in constraining power, we obtain a 1⁢σ shift on n s . Additionally, we forecast a weak lensing and clustering data vector from the 10-year Legacy Survey of Space and Time by the Vera C. Rubin Observatory and show its combination with current data would improve their n s constraints by 25% in r⁢Λ⁢ CDM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Impossibility of obtaining time-independent, three-dimensional, spherically symmetric densities of confined systems of relativistically moving constituents

The quantum-mechanical definition of probability, the uncertainty principle, and Poincaré invariance provide strong basic restrictions on the ability to define spatial densities associated with form factors describing the properties of confined systems of relativistically moving constituents. Despite this, many papers ignore one or more of these restrictions. Here I show how to obtain time-independent , two-dimensional densities that are consistent with the stated restrictions. This is done using the light-front, infinite momentum frame formalism. Two-dimensional density interpretations of the axial-vector form factor and all three gravitational form factors is obtained. The resulting mass radius is smaller than the charge radius. Additionally, an expression of a two-dimensional mass density related to the trace of the energy momentum tensor is obtained. I also show that all known methods for finding three-dimensional densities—using the Breit frame, Abel transformations, Wigner distributions, and spherically symmetric wave packets with vanishing spatial extent—violate the basic restrictions in different ways. Furthermore, the use of the latter leads to densities that vanish almost everywhere in space as time increases from an initial value.

form factors↗
DOE OSTI2021

A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods

In this work, we introduce a diagrammatic approach to facilitate the automatic derivation of analytical nuclear gradients for tensor hyper-contraction (THC) based electronic structure methods. The automatically derived gradients are guaranteed to have the same scaling in terms of both operation count and memory footprint as the underlying energy calculations, and the computation of a gradient is roughly three times as costly as the underlying energy. The new diagrammatic approach enables the first cubic scaling implementation of nuclear derivatives for THC tensors fitted in molecular orbital basis (MO-THC). Furthermore, application of this new approach to THC-MP2 analytical gradients leads to an implementation, which is at least four times faster than the previously reported, manually derived implementation. Finally, we apply the new approach to the 14 tensor contraction patterns appearing in the supporting subspace formulation of multireference perturbation theory, laying the foundation for developments of analytical nuclear gradients and nonadiabatic coupling vectors for multi-state CASPT2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Kinetic fluid moments closure for a magnetized plasma with collisions

A novel method aimed at a kinetic moments closure for a magnetized plasma with collisions is proposed. The velocity distribution function for each species is expanded in 8 Gaussian Radial Basis Functions (GRBFs) which are essentially shifted Maxwellians at eight representative 3D-velocity points of drift. The vector of 8 fluid moments (for particle density, 3 particle fluxes, total energy density, and 3 energy fluxes) has an 8x8 analytic linear matrix relation to the vector of 8 GRBF density weighs in 3D-real space. The 8 fluid moments with sources for each species are advanced in time while the 8 GRBF weighs are determined from the 8x8 inverse matrix. The two closure moments (for the stress tensor and the energy weighted stress tensor) are linearly determined from the GRBF weighs. Most importantly the velocity moments of the nonlinear Coulomb Fokker-Planck collision operator [Rosenbluth et al, Phys. Rev 107, 1957] are evaluated from the GRBF weights. Generalization from 8 to 12, 16, 20 .., in an energy weighted moment hierarchy is straightforward. The electric field follows from a generalized vorticity (quasi-neutral charge conservation) equation. A strong drift ordering approximation can be applied to eliminate any spuriously unstable high frequency cyclotron motions. A novel weak drift ordering two-time step scheme avoids the vorticity equation by following ion cyclotron motion in time to get the electric field with ion gyroaveraging. Inclusion of low-beta magnetic perturbations is straightforward.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Electromagnetic quantum effects in anti-de Sitter spacetime

The two-point functions of the vector potential and of the field tensor for the electromagnetic field in the background of anti-de Sitter (AdS) spacetime are evaluated in an arbitrary number of spatial dimensions. First, we consider the two-point functions in the boundary-free geometry and then generalize the results in the presence of a reflecting boundary parallel to the AdS horizon. By using the expressions for the two-point functions of the field tensor, we investigate the vacuum expectation values of the electric field squared and of the energy–momentum tensor. Simple asymptotic expressions are provided near the AdS boundary and horizon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Thermal Radiation Transport with Tensor Trains

We present a novel tensor network algorithm to solve the time-dependent, gray thermal radiation transport equation. The method invokes a tensor train (TT) decomposition for the specific intensity. The efficiency of this approach is dictated by the rank of the decomposition. When the solution is “low rank,” the memory footprint of the specific intensity solution vector may be significantly compressed. The algorithm, following a step-then-truncate approach of a traditional discrete ordinates method, operates directly on the compressed state vector, thereby enabling large speedups for low-rank solutions. To achieve these speedups, we rely on a recently developed rounding approach based on the Gram-SVD. We detail how familiar S N algorithms for (gray) thermal transport can be mapped to this TT framework and present several numerical examples testing both the optically thick and thin regimes. The TT framework finds low-rank structure and supplies up to ≃60× speedups and ≃1000× compressions for problems demanding large angle counts, thereby enabling previously intractable SN calculations and supplying a promising avenue to mitigate ray effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Modified Einstein and Navier–Stokes Equations

The appearance of inertial rest mass-energy is associated with the kinematic slowing-down of time and with the vortex state of the elementary massive space with zero integral of its kinetic and potential energies. An analog of the Einstein equation is found for moving densities of a non-empty metric space in the concept of the Einstein–Infeld material field. The vector consequences of this tensor equation for a metric medium of overlapping elementary carriers of continuous mass-energies allow us to modify the Navier–Stokes equation under inertial motion of the matter of the nonlocal field in the nonrelativistic limit. The nonlocality of massenergy generates kinematic accelerations of feedback to Newtonian acceleration, which impedes asymptotic divergence of energy fluxes. Stabilization of inertial media by dynamic Bernoulli pressure corresponds to nonlocal self-organization of Einstein–Infeld non-empty space and invalidates Newtonian localization of masses in empty space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Cosmology for quadratic gravity in generalized Weyl geometry

A class of vector-tensor theories arises naturally in the framework of quadratic gravity in spacetimes with linear vector distortion. Requiring the absence of ghosts for the vector field imposes an interesting condition on the allowed connections with vector distortion: the resulting one-parameter family of connections generalises the usual Weyl geometry with polar torsion. The cosmology of this class of theories is studied, focusing on isotropic solutions wherein the vector field is dominated by the temporal component. De Sitter attractors are found and inhomogeneous perturbations around such backgrounds are analysed. In particular, further constraints on the models are imposed by excluding pathologies in the scalar, vector and tensor fluctuations. Various exact background solutions are presented, describing a constant and an evolving dark energy, a bounce and a self-tuning de Sitter phase. However, the latter two scenarios are not viable under a closer scrutiny.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Parity-violating CMB correlators with non-decaying statistical anisotropy

We examine the effect induced on cosmological correlators by the simultaneous breaking of parity and of statistical isotropy. As an example of this, we compute the scalar-scalar, scalar-tensor, tensor-tensor and scalar-scalar-scalar cosmological correlators in presence of the coupling L = f(φ) ( − 1/4 F{sup 2} + γ/4 F ∼F ) between the inflaton φ and a vector field with vacuum expectation value A. For a suitably chosen function f, the energy in the vector field ρ{sub A} does not decay during inflation. This results in nearly scale-invariant signatures of broken statistical isotropy and parity. Specifically, we find that the scalar-scalar correlator of primordial curvature perturbations includes a quadrupolar anisotropy, P{sub ζ}(k) = P(k)[1+g{sub *}( k-circumflex ⋅Â){sup 2}], and a (angle-averaged) scalar bispectrum that is a linear combination of the first 3 Legendre polynomials, B{sub ζ}(k{sub 1}, k{sub 2}, k{sub 3}) = ∑{sub L} c{sub L} P{sub L} ( k-circumflex {sub 1} ⋅ k-circumflex {sub 2}) P(k{sub 1}) P(k{sub 2}) + 2 perms , with c{sub 0}:c{sub 1}:c{sub 2}=2-3:1 (c{sub 1}≠0 is a consequence of parity violation, corresponding to the constant 0γ ≠ ). The latter is one of the main results of this paper, which provides for the first time a clear example of an inflationary model where a non-negligible c{sub 1} contribution to the bispectrum is generated. The scalar-tensor and tensor-tensor correlators induce characteristic signatures in the Cosmic Microwave Background temperature anisotropies (T) and polarization (E/B modes); namely, non-diagonal contributions to (a{sub ℓ1m1}a{sup *}{sub ℓ2m2}), with |ℓ{sub 1} − ℓ{sub 2}| = 1 in TT, TE, EE and BB, and |ℓ{sub 1} − ℓ{sub 2}| = 2 in TB and EB. The latest CMB bounds on the scalar observables (g{sub *}, c{sub 0}, c{sub 1} and c{sub 2}), translate into the upper limit ρ{sub A} / ρ{sub φ} ∼< 10{sup −9} at 0γ=. We find that the upper limit on the vector energy density becomes much more stringent as γ grows.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Improving the Performance of NEML2 with Modern Graph Compilation Backends

NEML2 vectorizes constitutive-model evaluation for large-scale multiphysics simulation, using PyTorch as its tensor backend so that a batch of material-point updates runs on CPU or GPU through a single implementation. In the two prior reports in this series it was a C++-native library, deployed through TorchScript tracing and just-in-time (JIT) compilation; it has since been rewritten from the ground up into a Python-native library deployed through Ahead-of-Time Inductor (AOTInductor), a modern PyTorch graph-compilation backend. The rewrite is driven by a persistent tension, not a language preference: NEML2 composes constitutive models at runtime from a registry of small, independently-authored pieces, and that flexibility is difficult to reconcile with the compile-time knowledge an efficient GPU kernel needs. This report documents the rewrite and the investment that accompanied it: the AOTInductor export pipeline that turns a Python-authored model into a portable, Python-free compiled artifact loadable from pure C++; the eager and compiled runtimes and the new implicit solver layer built on them; a head-to-head benchmark of legacy JIT against AOTInductor; the physics-model catalog and its worked examples; the developer tooling; and the corresponding overhaul of MOOSE’s NEML2 integration that lets MOOSE consume it. A central objective is to examine whether modern PyTorch graph-compilation backends are effective for MOOSE GPU integration. The benchmark answers directly: AOTInductor outperforms legacy JIT on every GPU scenario measured, by 1.0–4.5×. Modern graph-compilation backends are effective for MOOSE GPU integration, and AOTInductor specifically – not compilation in the abstract – is why.

Hu, Gary (Tianchen) [Argonne National Laboratory (↗
DOE OSTI2026

Adiabatic fast passage spin manipulation measurements in solid polarized targets

Adiabatic fast passage (AFP) is a rapid method for reversing nuclear polarization and manipulating spin populations in polarized solid targets, avoiding the long repolarization times associated with dynamic nuclear polarization (DNP). We report AFP measurements in a 5 T, 1 K polarized-target system for irradiated 15 NH 3 , irradiated 14 ND 3 , and butanol-based materials prepared either with TEMPO doping or by irradiation. We also present a joint manipulated-lineshape analysis for spin-1 targets and demonstrate that vector and tensor polarizations can be extracted from AFP-manipulated deuteron NMR spectra even when the populations are not described by a single Boltzmann spin temperature. In conclusion, we report a reproducible polarization- and direction-dependent AFP response in a large irradiated 15 NH 3 sample. These ammonia results are presented as empirical observations under the specific sample–coil conditions of the experiment, with possible circuit-mediated mechanisms such as radiation damping or superradiant behavior discussed but not assigned as a definitive cause.

Adiabatic fast passage↗
DOE OSTI2016

Towards developing a compact model for magnetization switching in straintronics magnetic random access memory devices

Strain-mediated magnetization switching in a magnetic tunneling junction (MTJ) by exploiting a combination of piezoelectricity and magnetostriction has been proposed as an energy efficient alternative to spin transfer torque (STT) and field induced magnetization switching methods in MTJ-based magnetic random access memories (MRAM). Theoretical studies have shown the inherent advantages of strain-assisted switching, and the dynamic response of the magnetization has been modeled using the Landau-Lifshitz-Gilbert (LLG) equation. However, an attempt to use LLG for simulating dynamics of individual elements in large-scale simulations of multi-megabyte straintronics MRAM leads to extremely time-consuming calculations. Hence, a compact analytical solution, predicting the flipping delay of the magnetization vector in the nanomagnet under stress, combined with a liberal approximation of the LLG dynamics in the straintronics MTJ, can lead to a simplified model of the device suited for fast large-scale simulations of multi-megabyte straintronics MRAMs. In this work, a tensor-based approach is developed to study the dynamic behavior of the stressed nanomagnet. First, using the developed method, the effect of stress on the switching behavior of the magnetization is investigated to realize the margins between the underdamped and overdamped regimes. The latter helps the designer realize the oscillatory behavior of the magnetization when settling along the minor axis, and the dependency of oscillations on the stress level and the damping factor. Next, a theoretical model to predict the flipping delay of the magnetization vector is developed and tested against LLG-based numerical simulations to confirm the accuracy of findings. Lastly, the obtained delay is incorporated into the approximate solutions of the LLG dynamics, in order to create a compact model to liberally and quickly simulate the magnetization dynamics of the MTJ under stress. Using the developed delay equation, the efficiency of the straintronics switching over the STT method is highlighted by analytically investigating the energy-delay trade-off of both methodologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A Polarization Tensor for Neutron Optics

A rank 2 dimension 3 tensor formulation for polarized neutron transport in a magnetic field is derived. Using this formulation, the rotating magnetic field problem is revisited to produce a single 3 × 3 vector-transformation matrix that describes the polarization transport. That result is then used to fashion a new strategy for a numerical approximation of polarization transport in an arbitrary magnetic field using time-dependent perturbation theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Towards space from Hilbert space: finding lattice structure in finite-dimensional quantum systems

We report that field theories place one or more degrees of freedom at every point in space. Hilbert spaces describing quantum field theories, or their finite-dimensional discretizations on lattices, therefore have large amounts of structure: they are isomorphic to the tensor product of a smaller Hilbert space for each lattice site or point in space. Local field theories respecting this structure have interactions which preferentially couple nearby points. The emergence of classicality through decoherence relies on this framework of tensor-product decomposition and local interactions. We explore the emergence of such lattice structure from Hilbert-space considerations alone. We point out that the vast majority of finite-dimensional Hilbert spaces cannot be isomorphic to the tensor product of Hilbert-space subfactors that describes a lattice theory. A generic Hilbert space can only be split into a direct sum corresponding to a basis of state vectors spanning the Hilbert space, we consider setups in which the direct sum is naturally decomposed into two pieces. We define a notion of direct-sum locality which characterizes states and decompositions compatible with Hamiltonian time evolution. Finally, we illustrate these notions for a toy model that is the finite-dimensional discretization of the quantum-mechanical double-well potential. We discuss their relevance in cosmology and field theory, especially for theories which describe a landscape of vacua with different spacetime geometries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Higgs boson production cross-section measurements and their EFT interpretation in the $4\ell $ decay channel at $\sqrt{s}=$13 TeV with the ATLAS detector

Higgs boson properties are studied in the four-lepton decay channel (where lepton = e, μ) using 139 fb -1 of proton–proton collision data recorded at $\sqrt{s}=$13 TeV by the ATLAS experiment at the Large Hadron Collider. The inclusive cross-section times branching ratio for H→ZZ* decay is measured to be 1.34±0.12 pb for a Higgs boson with absolute rapidity below 2.5, in good agreement with the Standard Model prediction of 1.33±0.08 pb. Cross-sections times branching ratio are measured for the main Higgs boson production modes in several exclusive phase-space regions. The measurements are interpreted in terms of coupling modifiers and of the tensor structure of Higgs boson interactions using an effective field theory approach. Exclusion limits are set on the CP-even and CP-odd ‘beyond the Standard Model’ couplings of the Higgs boson to vector bosons, gluons and top quarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Faster Johnson–Lindenstrauss transforms via Kronecker products

The Kronecker product is an important matrix operation with a wide range of applications in signal processing, graph theory, quantum computing and deep learning. In this work, we introduce a generalization of the fast Johnson–Lindenstrauss projection for embedding vectors with Kronecker product structure, the Kronecker fast Johnson–Lindenstrauss transform (KFJLT). The KFJLT reduces the embedding cost by an exponential factor of the standard fast Johnson–Lindenstrauss transform’s cost when applied to vectors with Kronecker structure, by avoiding explicitly forming the full Kronecker products. Here, we prove that this computational gain comes with only a small price in embedding power: consider a finite set of $p$ points in a tensor product of $d$ constituent Euclidean spaces $\bigotimes _{k=d}^{1}{\mathbb{R}}^{n_k}$, and let $N = \prod _{k=1}^{d}n_k$. With high probability, a random KFJLT matrix of dimension $m \times N$ embeds the set of points up to multiplicative distortion $(1\pm \varepsilon )$ provided $m \gtrsim \varepsilon ^{-2} \, \log ^{2d - 1} (p) \, \log N$. We conclude by describing a direct application of the KFJLT to the efficient solution of large-scale Kronecker-structured least squares problems for fitting the CP tensor decomposition.

Kronecker structure↗
DOE OSTI2021

Intrinsic Anomalous Hall Conductivity in a Nonuniform Electric Field

We study how the intrinsic anomalous Hall conductivity is modified in two-dimensional crystals with broken time-reversal symmetry due to weak inhomogeneity of the applied electric field. Focusing on a clean noninteracting two-band system without band crossings, we derive the general expression for the Hall conductivity at small finite wave vector q to order q 2 , which governs the Hall response to the second gradient of the electric field. Using the Kubo formula, we show that the answer can be expressed through the Berry curvature, Fubini-Study quantum metric, and the rank-3 symmetric tensor which is related to the quantum geometric connection and physically corresponds to the gauge-invariant part of the third cumulant of the position operator. We further compare our results with the predictions made within the semiclassical approach. By deriving the semiclassical equations of motion, we reproduce the result obtained from the Kubo formula in some limits. We also find, however, that the conventional semiclassical description in terms of the definite position and momentum of the electron is not fully consistent because of singular terms originating from the Heisenberg uncertainty principle. We thus present a clear example of a case when the semiclassical approach inherently suffers from the uncertainty principle, implying that it should be applied to systems in nonuniform fields with extra care.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗