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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

Data-driven closure modeling for hypersonic turbulent flows

The Reynolds-averaged Navier–Stokes (RANS) equations remain a workhorse technology for simulating compressible fluid flows of practical interest. Due to model-form errors, however, RANS models can yield erroneous predictions that preclude their use on mission-critical problems. This report summarizes work performed from FY22-FY24 focused on improving RANS models for hypersonic flows using data-driven modeling and scientific machine learning. In this work we: 1. Investigate the current capabilities of RANS models in Sandia’s parallel aerodynamics and re-entry code (SPARC) for hypersonic flows with a focus on shock boundary layer interactions (SBLIs), 2. Assess several established corrections that exist in the literature aimed at improving predictions for SBLIs, 3. Develop improved models for the Reynolds stress tensor using tensor-basis neural networks, 4. Develop a neural-network-based variable turbulent Prandtl number model to reduce errors in wall heating in SBLIs. 5. Begin future investigations including employing the LIFE framework to improve wall heating predictions in SBLIs as well as the ensemble Kalman filter. We find that current RANS models in SPARC are deficient for complex SBLI flows. In particular, no current model jointly predicts wall heat flux, wall shear stress, and wall pressure with reasonable accuracy. Existing corrections help, but do not alleviate this issue altogether. The development of improved models for the Reynolds stress tensor via tensor-basis neural networks results in more predictive RANS models across a suite of low-speed and high-speed cases. For hypersonic boundary layers, the inclusion of the wall-normal Reynolds stress via TBNNs has an appreciable impact on the wall-normal momentum balance and wall quantities. However, we find that improvements to the Reynolds stress tensor do not address the over-prediction in wall heat flux in SBLIs. We find that a neural-network-based variable turbulent Prandtl number model systematically and substantially improves wall heating predictions for a range of SBLI cases.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Alternatives for jet engine control

Tensor model order reduction, recursive tensor model identification, input design for tensor model identification, software development for nonlinear feedback control laws based upon tensors, and development of the CATNAP software package for tensor modeling, identification and simulation were studied. The last of these are discussed.

Sain, M. K.↗
NASA NTRS1986

Viscosity and the Chew-Goldberger-Low equations in the solar corona

A general discussion of the dominant terms in the stress tensor in a magnetized plasma such as the solar corona is presented. The importance of dissipative terms such as electrical resistivity, heat conduction, and interspecies collisions is assessed. For average coronal conditions, the proton stress tensor is found to reduce to the dominant terms in the classical expression for the viscous stress. The classical expression can fail in the transition region, however. In the diffusion region of reconnection, classical viscosity will be appropriate if the resistivity is very large, so that the diffusion region is broad, but in that case the viscous heating is small compared to the resistive heating. On the other hand, the more general expression for the stress tensor is required if the diffusion region is thin; the stress tensor will be important in this case. The electron stress tensor is also considered, and it is shown how the classical expression for electron viscosity can fail in the transition region and lower corona.

Hollweg, J. V.↗
NASA NTRS2006

Anisotropic Developments for Homogeneous Shear Flows

The general decomposition of the spectral correlation tensor R(sub ij)(k) by Cambon et al. (J. Fluid Mech., 202, 295; J. Fluid Mech., 337, 303) into directional and polarization components is applied to the representation of R(sub ij)(k) by spherically averaged quantities. The decomposition splits the deviatoric part H(sub ij)(k) of the spherical average of R(sub ij)(k) into directional and polarization components H(sub ij)(sup e)(k) and H(sub ij)(sup z)(k). A self-consistent representation of the spectral tensor in the limit of weak anisotropy is constructed in terms of these spherically averaged quantities. The directional polarization components must be treated independently: models that attempt the same representation of the spectral tensor using the spherical average H(sub ij)(k) alone prove to be inconsistent with Navier-Stokes dynamics. In particular, a spectral tensor consistent with a prescribed Reynolds stress is not unique. The degree of anisotropy permitted by this theory is restricted by realizability requirements. Since these requirements will be less severe in a more accurate theory, a preliminary account is given of how to generalize the formalism of spherical averages to higher expansion of the spectral tensor. Directionality is described by a conventional expansion in spherical harmonics, but polarization requires an expansion in tensorial spherical harmonics generated by irreducible representations of the spatial rotation group SO(exp 3). These expansions are considered in more detail in the special case of axial symmetry.

Cambon, Claude↗
NASA NTRS2010

Introduction to Vector Field Visualization

Vector field visualization techniques are essential to help us understand the complex dynamics of flow fields. These can be found in a wide range of applications such as study of flows around an aircraft, the blood flow in our heart chambers, ocean circulation models, and severe weather predictions. The vector fields from these various applications can be visually depicted using a number of techniques such as particle traces and advecting textures. In this tutorial, we present several fundamental algorithms in flow visualization including particle integration, particle tracking in time-dependent flows, and seeding strategies. For flows near surfaces, a wide variety of synthetic texture-based algorithms have been developed to depict near-body flow features. The most common approach is based on the Line Integral Convolution (LIC) algorithm. There also exist extensions of LIC to support more flexible texture generations for 3D flow data. This tutorial reviews these algorithms. Tensor fields are found in several real-world applications and also require the aid of visualization to help users understand their data sets. Examples where one can find tensor fields include mechanics to see how material respond to external forces, civil engineering and geomechanics of roads and bridges, and the study of neural pathway via diffusion tensor imaging. This tutorial will provide an overview of the different tensor field visualization techniques, discuss basic tensor decompositions, and go into detail on glyph based methods, deformation based methods, and streamline based methods. Practical examples will be used when presenting the methods; and applications from some case studies will be used as part of the motivation.

Kao, David↗
DOE OSTI2024

Efficient Mixed-Precision Matrix Factorization of the Inverse Overlap Matrix in Electronic Structure Calculations with AI-Hardware and GPUs

In recent years, a new kind of accelerated hardware has gained popularity in the artificial intelligence (AI) community which enables extremely high-performance tensor contractions in reduced precision for deep neural network calculations. In this article, we exploit Nvidia Tensor cores, a prototypical example of such AI-hardware, to develop a mixed precision approach for computing a dense matrix factorization of the inverse overlap matrix in electronic structure theory, S –1 . This factorization of S –1 , written as ZZT = S –1 , is used to transform the general matrix eigenvalue problem into a standard matrix eigenvalue problem. Here we present a mixed precision iterative refinement algorithm where Z is given recursively using matrix–matrix multiplications and can be computed with high performance on Tensor cores. To understand the performance and accuracy of Tensor cores, comparisons are made to GPU-only implementations in single and double precision. Additionally, we propose a nonparametric stopping criteria which is robust in the face of lower precision floating point operations. The algorithm is particularly useful when we have a good initial guess to Z, for example, from previous time steps in quantum-mechanical molecular dynamics simulations or from a previous iteration in a geometry optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ordinary and exotic mesons in the extended Linear Sigma Model

The extended Linear Sigma Model (eLSM) is a hadronic model based on the global symmetries of QCD and the corresponding explicit, anomalous, and spontaneous breaking patterns. In its basic three-flavor form, its mesonic part contains the dilaton/glueball as well as the nonets of pseudoscalar, scalar, vector, and axial–vector mesons, thus chiral symmetry is linearly realized. In the chiral limit and neglecting the chiral anomaly, only one term – within the dilaton potential – breaks dilatation invariance, and all terms are chirally symmetric. Spontaneous symmetry breaking is implemented by a generalization of the Mexican-hat potential, with explicit symmetry breaking responsible for its tilting. The overall mesonic phenomenology up to ~2 GeV is in agreement with the PDG compilation of masses and partial and total decay widths. The eLSM was enlarged in a straightforward way to include other conventional quark–antiquark nonets (pseudovector and orbitally excited vector mesons, tensor and axial-tensor mesons, radially excited (pseudo)scalar mesons, etc.), as well as two nonets of hybrid mesons, the lightest one with exotic quantum numbers J $\mathscr{PC}$ = 1 -+ not allowed for $\bar{q}q$ objects, such as the resonance π 1 (1600) and the recently discovered η 1 (1855) . In doing so, different types of chiral multiplets are introduced: heterochiral and homochiral multiplets, which differ in the way they transform under chiral transformations. Moreover, besides the scalar glueball that is present from the beginning as dilaton, other glueballs, the tensor, the pseudoscalar and the vector glueballs were coupled to the eLSM: the scalar resonance ƒ 0 (1710) turns out to be mostly gluonic, the tensor glueball couples strongly to vector mesons, and the pseudoscalar glueball couples sizably to $ππη'$ and can be assigned to X (2370) or X (2600). In all cases above, masses and decays can be analyzed allowing for a better understanding of both conventional and non-conventional mesons: whenever data are available, a comparison is performed and, when this is not the case, predictions of decay widths and decay ratios are outlined. The eLSM contains chiral partners on an equal footing and is therefore well suited for studies of chiral symmetry restoration at nonzero temperature and densities: this is done by coupling it to the Polyakov loop. Finally, the QCD phase diagram and the location of the critical endpoint were investigated within this framework.

Chiral symmetry↗
DOE OSTI2024

Quantitative kinetic rules for plastic strain-induced α - ω phase transformation in Zr under high pressure

Plastic strain-induced phase transformations (PTs) and chemical reactions under high pressure are broadly spread in modern technologies, friction and wear, geophysics, and astrogeology. However, because of very heterogeneous fields of plastic strain $E$ p and stress σ tensors and volume fraction c of phases in a sample compressed in a diamond anvil cell (DAC) and impossibility of measurements of σ and $E$ p , there are no strict kinetic equations for them. Here, we develop a kinetic model, finite element method (FEM) approach, and combined FEM-experimental approaches to determine all fields in strongly plastically predeformed Zr compressed in DAC, and specific kinetic equation for α-ω PT consistent with experimental data for the entire sample. Since all fields in the sample are very heterogeneous, data are obtained for numerous complex 7D paths in the space of 3 components of the plastic strain tensor and 4 components of the stress tensor. Kinetic equation depends on accumulated plastic strain (instead of time) and pressure and is independent of plastic strain and deviatoric stress tensors, i.e., it can be applied for various above processes. Our results initiate kinetic studies of strain-induced PTs and provide efforts toward more comprehensive understanding of material behavior in extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Parallel Alternative for Energy-Efficient Neural Network Training and Inferencing

Energy efficiency of training and inferencing with large neural network models is a critical challenge facing the future of sustainable large-scale machine learning workloads. This paper introduces an alternative strategy, called phantom parallelism, to minimize the net energy consumption of traditional tensor (model) parallelism, the most energy-inefficient component of large neural network training. The approach is presented in the context of feed-forward network architectures as a preliminary, but comprehensive, proof-of-principle study of the proposed methodology. We derive new forward and backward propagation operators for phantom parallelism, implement them as custom autograd operations within an end-to-end phantom parallel training pipeline and compare its parallel performance and energy-efficiency against those of conventional tensor parallel training pipelines. Formal analyses that predict lower bandwidth and FLOP counts are presented with supporting empirical results on up to 256 GPUs that corroborate these gains. Experiments are shown to deliver ∼50% reduction in the energy consumed to train FFNs using the proposed phantom parallel approach when compared with conventional tensor parallel methods. Additionally, the proposed approach is shown to train smaller phantom models to the same model loss on smaller GPU counts as larger tensor parallel models on larger GPU counts offering the possibility for even greater energy savings.

Seal, Sudip [ORNL] (ORCID:0000000332330656)↗
DOE OSTI2024

Improved Earthquake Source Parameters with 3D Wavespeed Models in California and Nevada

Seismic tomography harnesses earthquake data to explore the inaccessible structure of the Earth. Adjoint waveform tomography (AWT), a method of seismic tomography, updates the tomographic model by optimizing the fit between observed earthquake data and synthetic waveforms. The synthetic data are calculated by solving the wave equation through a given 3D model. An important requirement to calculating synthetics is the source information (location, centroid time, depth, and moment tensor). Errors in source information affect the quality of the synthetics produced, which in turn can limit how structure can be inferred in the AWT workflow. Here, to test the effect of updating source information, we used MTTime (Chiang, 2020), a time-domain full-waveform moment tensor inversion code, to calculate the moment tensors and depths of 118 earthquakes that occurred in California and Nevada over a 20-yr period. We calculated 3D Green’s functions using a 3D seismic wavespeed model of California and Nevada (Doody et al., 2023b). We show that the inverted solutions provide better waveform fits than the Global Centroid Moment Tensor catalog and increase usable, well-correlated data by up to 7%. Therefore, we argue that recalculating source parameters should be considered in AWT workflows, particularly for smaller magnitude events (⁠M w > 5.0).

58 GEOSCIENCES↗
DOE OSTI2025

Self-Consistent Relativistic Electron Scattering using the Sherlock Scattering Model for X-ray Diagnostics

We present on a new, self-consistent, arbitrary-temperature Romberg integration scheme for modeling electron scattering in materials in a LANL Lagrangian Shock Hydro (LSH) code. Electron beam-target interactions are fundamental to a wide range of scientific and technological applications. When high-energy electron beams hit their target, they may scatter, deposit energy, or ionize the source. These processes govern the behavior and outcomes in nanotechnology manufacturing, electron microscopy, and modern X-ray diagnostics. Simulating these interactions is essential for interpreting experimental results, predicting material responses, and designing efficient tools and experiments. At Los Alamos, this is done using a LSH code, which is a multi-dimension, multi-material, massively parallel, multi-physics code used to simulate applications from asteroid impacts to electron beam interactions. By effectively and efficiently modeling the way that electrons scatter from the beam we can bolster these simulations and more accurately predict experimental outcomes. The model currently implemented in the LSH of interest is based on work by Papp and does not self-consistently preserve momentum in the slightly relativistic regime; here we adopt a model proposed by Braams and Karney and implement a Romberg integration scheme to compute the diffusion tensor. In this paper we will provide background on the Braams-Karney diffusion tensor as well as the Romberg integration scheme we employed to numerically solve for it. We will show that our integration scheme is accurate in solving for the set of scalar potentials used to re-express the diffusion tensor in differential form, and in solving for the diffusion coefficients in the larger LSH code. By using this diffusion tensor rather than the existing Papp one, and numerically integrating it with a Romberg method, we produce much more accurate, self-consistent results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1971

Resonant diffusion in the presence of strong plasma turbulence

The diffusion equation which describes the evolution of the average one particle distribution function for an ensemble of strongly turbulent plasmas is derived. The diffusion tensor is a time integral of the autocorrelation tensor of the fluctuations as observed by particles moving along statistically distributed orbits. These orbits contain the effects of fluctuations and thus differ from those encountered in weak turbulence theory. The plasma trajectory equations are used to relate each to the diffusion tensor itself when the turbulence is electrostatic. The diffusion tensor is explicity evaluated for a strongly turbulent unmagnetized plasma.

Birmingham, T. J.↗
NASA NTRS1972

Resonant diffusion in the presence of strong plasma turbulence.

The diffusion equation which describes the evolution of the average one-particle distribution function for an ensemble of strongly turbulent plasmas is derived. The diffusion tensor is a time integral of the autocorrelation tensor of the fluctuations as observed by particles moving along statistically distributed orbits. These orbits contain the effects of fluctuations and thus differ from those encountered in weak turbulence theory. Two statistical orbit effects quadratic in the strength of the fluctuations affect the magnitude of the diffusion: (a) modification of the ensemble average orbits by the fluctuations, and (b) statistical dispersion in particle orbits about the average. The plasma trajectory equations are used to relate each to the diffusion tensor itself when the turbulence is electrostatic. The diffusion tensor is explicitly evaluated for a strongly turbulent unmagnetized plasma.

Birmingham, T. J.↗
NASA NTRS1986

Brans-Dicke-type models with nonmetricity

A scalar-tensor-nonmetric theory of gravity without matter fields is shown to be equivalent to the scalar-tensor-torsion theory proposed by German, the only difference being in the source of the Weyl vector or torsion vector (for equivalently the scalar field) which remains arbitrary in the theory. General extended conformal transformations, which leave the curvature tensor invariant, are presented and their implications for metric-affine theories and scalar-tensor theories are discussed.

Smalley, L. L.↗
NASA NTRS1988

Derivation of revised formulae for eddy viscous forces used in the ocean general circulation model

Presented is a re-derivation of the eddy viscous dissipation tensor commonly used in present oceanographic general circulation models. When isotropy is imposed, the currently-used form of the tensor fails to return to the laplacian operator. In this paper, the source of this error is identified in a consistent derivation of the tensor in both rectangular and earth spherical coordinates, and the correct form of the eddy viscous tensor is presented.

Chou, Ru Ling↗
NASA NTRS1990

A study of the topology of dissipating motions in direct numerical simulations of time-developing compressible and incompressible mixing layers

A preliminary investigation of the geometry of flow patterns in numerically simulated compressible and incompressible mixing layers was carried out using 3-D critical point methodology. Motions characterized by high rates of kinetic energy dissipation and/or high enstrophy were of particular interest. In the approach the partial derivatives of the velocity field are determined at every point in the flow. These are used to construct the invariants of the velocity gradient tensor and the rate-of-strain tensor (P, Q, R, and P(sub s), Q(sub s), R(sub s) respectively). For incompressible flow the first invariant is zero. For the conditions of the compressible simulation, the first invariant is found to be everywhere small, relative to the second and third invariants, and so in both cases the local topology at a point is mainly determined by the second and third invariants. The data at every grid point is used to construct scatter plots of Q versus R and Q(sub s) versus R(sub s). Most points map to a cluster near the origin in Q-R space. However, fine scale motions, that is motions which are characterized by velocity derivatives which scale with the square root of R(sub delta), tend to map to regions which lie far from the origin. Definite trends are observed for motions characterized by high enstrophy and/or high dissipation. The observed trends suggest that, for these motions, the second and third invariants of the velocity gradient and rate-of-strain tensors are strongly correlated. The second and third invariants of the rate-of-strain tensor are related by K(-Q(sub s))(exp 3/2), which is consistent with the above scaling of velocity derivatives. The quantity K appears to depend on Reynolds number with an upper limit K = 2(the square root of 3)/9 corresponding to locally axisymmetric flow. For both the compressible and incompressible mixing layer, regions corresponding to high rates of dissipation are found to be characterized by comparable magnitudes of R(sub ij)R(sub ij) and S(sub ij)S(sub ij). For the incompressible mixing layer, regions characterized by the highest values of enstrophy are found to have relatively low strain rates.

Chen, J. H.↗
NASA NTRS1994

Momentum transport near a magnetic X line in collisionless reconnection

Plasma dynamics and momentum transport near an X line during time-dependent magnetic reconnection in a collisionless plasma are investigated based on two-dimensional particle simulations. We find that a weakly skewed velocity distribution is formed near the magnetic X line, leading to the presence of off-diagonal elements of the plasma pressure tensor. Let the reconnection electric field be in the y direction. The gradients of the off-diagonal elements of the pressure tensor can provide a transport of the y momentum. During the normal magnetic reconnection, the momentum transport associated with the off-diagonal terms of the pressure tensor mediates a transfer of the y momentum from the region near the X line to regions outside the X line. A period of 'reverse magnetic reconnection,' during which the plasma kinetic energy is converted into magnetic energy, is also observed in the simulation. When reverse reconnection occurs, the gradients of the off-diagonal pressure tensor elements can mediate a transfer of y momentum into the X line. It is found that the inertial term also plays a significant role in the force balance near the magnetic X line. An explanation for the origin of the off-diagonal pressure terms is also given in this paper.

Cai, H. J.↗
NASA NTRS1993

Microwave Scattering Model for Grass Blade Structures

In this paper, the electromagnetic scattering solution for a grass blade with complex cross-section geometry is considered. It is assumed that the blade cross section is electrically small, but its length is large compared to the incident wavelength. In a recent study it has been shown that the scattering solution for such problems, in the form of a polarizability tensor, can be obtained using the low-frequency approximation in conjunction with the method of moments. In addition, the study shows that the relationship between the polarizability tensor of a dielectric cylinder and its dielectric constant can be approximated by a simple algebraic expression. The results of this study are used to show that this algebraic approximation is valid also for cylinders with cross sections the shape of grass blades, providing that proper values am selected for each of three constants appearing in the expression. These constants are dependent on cylinder shape, and if the relationship between the constants and the three parameters describing a grass blade shape can be determined, an algebraic approximation relating polarizability tensor to blade shape, as well as dielectric constant, can be formed. Since the elements of the polarizability tensor are dependent on only these parameters, this algebraic approximation can replace the cumbersome method of moments model. A conjugate gradient method is then implemented to correctly determine the three constants of the algebraic approximation for each blade shape. A third-order polynomial fit to the data is then determined for each constant, thus providing a complete analytic replacement to the numerical (moment method) scattering model. Comparisons of this approximation to the numerical model show an average error of less than 3%.

Stiles, James M.↗