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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

NEML2: A High Performance Library for Constitutive Modeling

NEML2, the New Engineering Material model Library, version 2, is an offshoot of NEML, an earlier material modeling code developed at Argonne National Laboratory. NEML2 extends the key philosophy of its predecessor, i.e., material models are flexible, modular, and can be built from smaller blocks. It also provides modern features that do not exist in the framework of its predecessor such as material model vectorization, automatic differentiation, device-portable just-in-time compilation, operator fusion, lazy tensor evaluation, etc. Moreover, NEML2 can seamlessly integrate with the popular machine learning package PyTorch to take advantage of modern and fast-growing machine learning techniques. In this fiscal year, the development of core library features and capabilities are complete. The purpose of this report is not to serve as a verbatim copy of the software API reference (which is available online at https://reverendbedford.github.io/neml2/). Instead, this report documents the motivation, implementation, design choices, and usage of each core capability as well as their applications in solving practical engineering problems. This report is compiled based on the NEML2 major release 2.0.0.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Numerical solutions of the complete Navier-Stokes equations

Using ideas from the kinetic theory, the Navier-Stokes equations are modified in such a way that they can be cast as a set of first order hyperbolic equations. This is achieved by incorporating time dependent terms into the definition of the stress tensor and the heat flux vectors. The boundary conditions are then determined from the theory of characteristics. Because the resulting equations reduce to the traditional Navier-Stokes equations when the steady state is reached, the present approach provides a straightforward scheme for the determination of inflow and outflow boundary conditions. The method is validated by comparing its predictions with known exact solutions of the steady Navier-Stokes equations.

Hassan, H. A.↗
NASA NTRS1987

Boundary conditions for the Navier-Stokes equations

Using ideas from kinetic theory, the Navier-Stokes equations are modified in such a way that they can be cast as a set of first order hyperbolic equations. This is achieved by incorporating time dependent terms into the definition of the stress tensor and the heat flux vectors. The boundary conditions are then determined from the theory of characteristics. Because the resulting equations reduce to the traditional Navier-Stokes equations when the steady state is reached, the present approach provides a straightforward scheme for the determination of inflow and outflow boundary conditions. The method is validated by comparing its predictions with exact and numerical solutions of the steady Navier-Stokes equations.

Rudisill, Edgar N., Jr.↗
NASA NTRS2001

Turbulence Modeling Effects on the Prediction of Equilibrium States of Buoyant Shear Flows

The effects of turbulence modeling on the prediction of equilibrium states of turbulent buoyant shear flows were investigated. The velocity field models used include a two-equation closure, a Reynolds-stress closure assuming two different pressure-strain models and three different dissipation rate tensor models. As for the thermal field closure models, two different pressure-scrambling models and nine different temperature variance dissipation rate, Epsilon(0) equations were considered. The emphasis of this paper is focused on the effects of the Epsilon(0)-equation, of the dissipation rate models, of the pressure-strain models and of the pressure-scrambling models on the prediction of the approach to equilibrium turbulence. Equilibrium turbulence is defined by the time rate (if change of the scaled Reynolds stress anisotropic tensor and heat flux vector becoming zero. These conditions lead to the equilibrium state parameters. Calculations show that the Epsilon(0)-equation has a significant effect on the prediction of the approach to equilibrium turbulence. For a particular Epsilon(0)-equation, all velocity closure models considered give an equilibrium state if anisotropic dissipation is accounted for in one form or another in the dissipation rate tensor or in the Epsilon(0)-equation. It is further found that the models considered for the pressure-strain tensor and the pressure-scrambling vector have little or no effect on the prediction of the approach to equilibrium turbulence.

Zhao, C. Y.↗
DOE OSTI2022

Far-from-equilibrium slow modes and momentum anisotropy in expanding plasma

The momentum distribution of particle production in heavy-ion collisions encodes information about thermalization processes in the early-stage quark-gluon plasma. We use kinetic theory to study the far-from-equilibrium evolution of an expanding plasma with an anisotropic momentumspace distribution. We identify slow and fast degrees of freedom in the far-from-equilibrium plasma from the evolution of moments of this distribution. At late times, the slow modes correspond to hydrodynamic degrees of freedom and are naturally gapped from the fast modes by the inverse of the relaxation time, $τ$$^{–1}_{R}$. At early times, however, there are an infinite number of slow modes with a gap inversely proportional to time, τ –1 . From the evolution of the slow modes we generalize the paradigm of the far-from-equilibrium attractor to vector and tensor components of the energy momentum tensor, and even to higher moments of the distribution function that are not part of the hydrodynamic evolution. We predict that initial-state momentum anisotropy decays slowly in the far-from-equilibrium phase and may persist until the relaxation time.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Far-from-equilibrium slow modes and momentum anisotropy in an expanding plasma

The momentum distribution of particle production in heavy-ion collisions encodes information about thermalization processes in the early-stage quark-gluon plasma. We use kinetic theory to study the far-from-equilibrium evolution of an expanding plasma with an anisotropic momentum-space distribution. We identify slow and fast degrees of freedom in the far-from-equilibrium plasma from the evolution of moments of this distribution. At late times, the slow modes correspond to hydrodynamic degrees of freedom and are naturally gapped from the fast modes by the inverse of the relaxation time, τ R − 1 . At early times, however, there are an infinite number of slow modes with a gap inversely proportional to time, τ − 1 . From the evolution of the slow modes we generalize the paradigm of the far-from-equilibrium attractor to vector and tensor components of the energy-momentum tensor, and even to higher moments of the distribution function that are not part of the hydrodynamic evolution. We predict that initial-state momentum anisotropy decays slowly in the far-from-equilibrium phase and may persist until the relaxation time. Published by the American Physical Society 2024

Brewer, Jasmine (ORCID:0000000230840663)↗
DOE OSTI2014

Bootstrapping the O(N ) vector models

We study the conformal bootstrap for 3D CFTs with O(N) global symmetry. We obtain rigorous upper bounds on the scaling dimensions of the first O(N) singlet and symmetric tensor operators appearing in the $\phi_i \times \phi_j$ OPE, where $\phi_i$ is a fundamental of O(N). Comparing these bounds to previous determinations of critical exponents in the O(N) vector models, we find strong numerical evidence that the O(N) vector models saturate the bootstrap constraints at all values of N. We also compute general lower bounds on the central charge, giving numerical predictions for the values realized in the O(N) vector models. We compare our predictions to previous computations in the 1/N expansion, finding precise agreement at large values of N.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Neutron (and other Particle) Transport at LANL: An Overview [Presentation]

For decades, Los Alamos National Laboratory has been at the forefront of neutron transport methods research and code development. One such code is PARTISN, the LANL parallel time-dependent discrete ordinate neutron transport code. In this presentation, we describe the various research efforts currently underway by the PARTISN and other code teams. Some examples of current research are a block automated mesh refinement scheme, the application of tensor trains to the discretized neutron transport equation, and GPU code porting. The block automated mesh refinement scheme uses cross section information to refine and coarsen the solution mesh to improve time to solution and reduce memory. The tensor train approach expresses discretized transport operators as tensor products of vectors and matrices to compress the size of linear systems being solved by transport codes. Rather than relying on matrix-free methods such as the transport sweep, we have access to an operator that can be inverted, reshaped, or manipulated algebraically. Finally, we describe how PARTISN is used, what problems we are looking to solve, and what the future holds for neutron transport at LANL. In addition to this, we briefly describe the various research efforts in other particle transport teams using both deterministic and Monte Carlo methods. In the presentation, we list possible opportunities for collaboration between the laboratory and faculty and students.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1992

Polar motions excited by a convecting viscous mantle

The role played by time-dependent mantle convection on exciting long-term polar motions is examined by means of a viscous model. For sufficiently low effective viscosity, polar-wander speeds of 0(1 deg/Myr) would require contributions from the off-diagonal elements of the inertia tensor, with magnitudes around 100,000 times smaller than those found in viscoelastic models used for postglacial rebound. Contributions from the large-scale mantle flow to the angular momentum vector can be comparable to those due to changes in moment of inertia tensor for nonlinear rheology or for young planet. The relative roles of the two contributions depend on the nonlinear rheology of the mantle and its convective vigor.

Moser, Jiri↗
DOE OSTI2015

Induced matter brane gravity and Einstein static universe

We investigate stability of the Einstein static universe against the scalar, vector and tensor perturbations in the context of induced matter brane gravity. It is shown that in the framework of this model, the Einstein static universe has a positive spatial curvature. In contrast to the classical general relativity, it is found that a stable Einstein static universe against the scalar perturbations does exist provided that the variation of time dependent geometrical equation of state parameter is proportional to the minus of the variation of the scale factor, δ ω{sub g}(t) = −Cδ a(t). We obtain neutral stability against the vector perturbations, and the stability against the tensor perturbations is guaranteed due to the positivity of the spatial curvature of the Einstein static universe in induced matter brane gravity.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1996

Development of the Tensoral Computer Language

The research scientist or engineer wishing to perform large scale simulations or to extract useful information from existing databases is required to have expertise in the details of the particular database, the numerical methods and the computer architecture to be used. This poses a significant practical barrier to the use of simulation data. The goal of this research was to develop a high-level computer language called Tensoral, designed to remove this barrier. The Tensoral language provides a framework in which efficient generic data manipulations can be easily coded and implemented. First of all, Tensoral is general. The fundamental objects in Tensoral represent tensor fields and the operators that act on them. The numerical implementation of these tensors and operators is completely and flexibly programmable. New mathematical constructs and operators can be easily added to the Tensoral system. Tensoral is compatible with existing languages. Tensoral tensor operations co-exist in a natural way with a host language, which may be any sufficiently powerful computer language such as Fortran, C, or Vectoral. Tensoral is very-high-level. Tensor operations in Tensoral typically act on entire databases (i.e., arrays) at one time and may, therefore, correspond to many lines of code in a conventional language. Tensoral is efficient. Tensoral is a compiled language. Database manipulations are simplified optimized and scheduled by the compiler eventually resulting in efficient machine code to implement them.

Ferziger, Joel↗
DOE OSTI2017

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations

The representation and storage of two-electron integral tensors are vital in large- scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this paper, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition of the two-electron integral tensor in our implementation. For the size of atomic basis set N_b ranging from ~ 100 up to ~ 2, 000, the observed numerical scaling of our implementation shows O(N_b^{2.5~3}) versus O(N_b^{3~4}) of single CD in most of other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic-orbital (AO) two-electron integral tensor from O(N_b^4) to O(N_b^2 log_{10}(N_b)) with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled- cluster formalism employing single and double excitations (CCSD) on several bench- mark systems including the C_{60} molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10^{-4} to 10^{-3} to give acceptable compromise between efficiency and accuracy.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1998

Polar Hydra Data Analysis

The science activities are: 1) Hydra is still operating successfully on orbit. 2) A large amount of analysis and discovery has occurred with the Hydra ground data processing this past year. 3) Full interdetector calibration has been implemented and documented. This intercalibration was necessitated by the incorrect installation of bias resistors in the pre-acceleration stage to the electron channeltrons. This had the effect of making the counting efficiency for electrons energy dependent as well as channeltron specific. The nature of the error had no impact on the ion detection efficiency since they have a different bias arrangement. This intercalibration is so effective, that the electron and ion moment densities are routinely produced with a level of agreement better than 20%. 4) The data processing routinely removes glint in the sensors and produces public energy time spectrograms on the web overnight. 6) Routine, but more intensive computer processing codes are operational that determine for electrons and ions, the density, the flow vector, the pressure tensor and the heat flux by numerical integration. These codes use the magnetic field to sustain the quality of their output. To gain access to this high quality magnetic field within our data stream we have monitored Russell's web page for zero levels and timing files (since his data acquisition is not telemetry synchronous) and have a local reconstruction of B for our use. We have also detected a routine anomaly in the magnetometer data stream that we have documented to Chris Russell and developed an editing algorithm to intercept these "hits" and remove them from the geophysical analysis.

Scudder, J. D.↗
DOE OSTI2017

Quantum corrections for spinning particles in de Sitter

We compute the one-loop quantum corrections to the gravitational potentials of a spinning point particle in a de Sitter background, due to the vacuum polarisation induced by conformal fields in an effective field theory approach. We consider arbitrary conformal field theories, assuming only that the theory contains a large number N of fields in order to separate their contribution from the one induced by virtual gravitons. The corrections are described in a gauge-invariant way, classifying the induced metric perturbations around the de Sitter background according to their behaviour under transformations on equal-time hypersurfaces. There are six gauge-invariant modes: two scalar Bardeen potentials, one transverse vector and one transverse traceless tensor, of which one scalar and the vector couple to the spinning particle. The quantum corrections consist of three different parts: a generalisation of the flat-space correction, which is only significant at distances of the order of the Planck length; a constant correction depending on the undetermined parameters of the renormalised effective action; and a term which grows logarithmically with the distance from the particle. This last term is the most interesting, and when resummed gives a modified power law, enhancing the gravitational force at large distances. As a check on the accuracy of our calculation, we recover the linearised Kerr-de Sitter metric in the classical limit and the flat-space quantum correction in the limit of vanishing Hubble constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Legendre submanifolds in contact manifolds as attractors and geometric nonequilibrium thermodynamics

It has been proposed that equilibrium thermodynamics is described on Legendre submanifolds in contact geometry. It is shown in this paper that Legendre submanifolds embedded in a contact manifold can be expressed as attractors in phase space for a certain class of contact Hamiltonian vector fields. By giving a physical interpretation that points outside the Legendre submanifold can represent nonequilibrium states of thermodynamic variables, in addition to that points of a given Legendre submanifold can represent equilibrium states of the variables, this class of contact Hamiltonian vector fields is physically interpreted as a class of relaxation processes, in which thermodynamic variables achieve an equilibrium state from a nonequilibrium state through a time evolution, a typical nonequilibrium phenomenon. Geometric properties of such vector fields on contact manifolds are characterized after introducing a metric tensor field on a contact manifold. It is also shown that a contact manifold and a strictly convex function induce a lower dimensional dually flat space used in information geometry where a geometrization of equilibrium statistical mechanics is constructed. Legendre duality on contact manifolds is explicitly stated throughout.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

A compute-bound formulation of Galerkin model reduction for linear time-invariant dynamical systems

This work aims to advance computational methods for projection-based reduced-order models (ROMs) of linear time-invariant (LTI) dynamical systems. For such systems, current practice relies on ROM formulations expressing the state as a rank-1 tensor (i.e., a vector), leading to computational kernels that are memory bandwidth bound and, therefore, ill-suited for scalable performance on modern architectures. This weakness can be particularly limiting when tackling many-query studies, where one needs to run a large number of simulations. This work introduces a reformulation, called rank-2 Galerkin, of the Galerkin ROM for LTI dynamical systems which converts the nature of the ROM problem from memory bandwidth to compute bound. We present the details of the formulation and its implementation, and demonstrate its utility through numerical experiments using, as a test case, the simulation of elastic seismic shear waves in an axisymmetric domain. We quantify and analyze performance and scaling results for varying numbers of threads and problem sizes. In conclusion, we present an end-to-end demonstration of using the rank-2 Galerkin ROM for a Monte Carlo sampling study. We show that the rank-2 Galerkin ROM is one order of magnitude more efficient than the rank-1 Galerkin ROM (the current practice) and about 970 times more efficient than the full-order model, while maintaining accuracy in both the mean and statistics of the field.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Topology of three-dimensional, variable density flows

This paper is concerned with the interpretation of unsteady, variable-density flow fields. The topology of the flow is determined by finding critical points and identifying the character of local solution trajectories. The time evolution of the flow is studied by following the paths of the critical points in the three-dimensional space of invariants of the local deformations tensor. The methodology can be applied to any smooth vector field and its associated gradient tensor including the vorticity and pressure gradient fields. This approach provides a framework for describing the geometry of complex flow patterns. Concisely summarizing that geometry in the space of invariants of the local gradient tensor may be a useful way of gaining insight into time-dependent processes described by large computational data bases. Applications to the descriptions of a flickering diffusion flame and a compressible wake are discussed.

Cantwell, Brian↗
DOE OSTI2017

Viscous corrections to electromagnetic emissivities in QCD

We provide a general framework for the derivation of the hydrodynamical corrections to the QCD electromagnetic emissivities in a viscous fluid. Here, assuming that the emission times are short in comparison to the fluid evolution time, we show that the leading corrections in the fluid gradients are controlled by the bulk and shear tensors times pertinent response functions involving the energy-momentum tensor. In a hadronic fluid phase, we detail these contributions using spectral functions. Using the vector dominance approximation, we show that the bulk viscosity correction to the photon rate is sizable, while the shear viscosity is negligible for about all frequencies. In the partonic phase near the transition temperature, we provide an assessment of the viscous corrections to the photon and dilepton emissions, using a nonperturbative quark-gluon plasma with soft thermal gluonic corrections in the form of operators of leading mass dimension. Again, the thermal bulk viscosity corrections are found to be larger than the thermal shear viscosity corrections at all energies for both the photon and dilepton in the partonic phase.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗