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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

Linear and nonlinear wave propagation in weakly relativistic quantum plasmas

We consider a recently derived kinetic model for weakly relativistic quantum plasmas. We find that that the effects of spin-orbit interaction and Thomas precession may alter the linear dispersion relation for a magnetized plasma in case of high plasma densities and/or strong magnetic fields. Furthermore, the ponderomotive force induced by an electromagnetic pulse is studied for an unmagnetized plasma. It turns out that for this case the spin-orbit interaction always gives a significant contribution to the quantum part of the ponderomotive force.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cosmic shear results from the deep lens survey. II. Full cosmological parameter constraints from tomography

We present a tomographic cosmic shear study from the Deep Lens Survey (DLS), which, providing a limiting magnitude r{sub lim}∼27 (5σ), is designed as a precursor Large Synoptic Survey Telescope (LSST) survey with an emphasis on depth. Using five tomographic redshift bins, we study their auto- and cross-correlations to constrain cosmological parameters. We use a luminosity-dependent nonlinear model to account for the astrophysical systematics originating from intrinsic alignments of galaxy shapes. We find that the cosmological leverage of the DLS is among the highest among existing >10 deg{sup 2} cosmic shear surveys. Combining the DLS tomography with the 9 yr results of the Wilkinson Microwave Anisotropy Probe (WMAP9) gives Ω{sub m}=0.293{sub −0.014}{sup +0.012}, σ{sub 8}=0.833{sub −0.018}{sup +0.011}, H{sub 0}=68.6{sub −1.2}{sup +1.4} km s{sup −1} Mpc{sup −1}, and Ω{sub b}=0.0475±0.0012 for ΛCDM, reducing the uncertainties of the WMAP9-only constraints by ∼50%. When we do not assume flatness for ΛCDM, we obtain the curvature constraint Ω{sub k}=−0.010{sub −0.015}{sup +0.013} from the DLS+WMAP9 combination, which, however, is not well constrained when WMAP9 is used alone. The dark energy equation-of-state parameter w is tightly constrained when baryonic acoustic oscillation (BAO) data are added, yielding w=−1.02{sub −0.09}{sup +0.10} with the DLS+WMAP9+BAO joint probe. The addition of supernova constraints further tightens the parameter to w=−1.03±0.03. Our joint constraints are fully consistent with the final Planck results and also with the predictions of a ΛCDM universe.

79 ASTRONOMY AND ASTROPHYSICS↗

Fast and Scalable FFT-Based GPU-Accelerated Algorithms for Block-Triangular Toeplitz Matrices with Application to Linear Inverse Problems Governed by Autonomous Dynamical Systems

In this work, we present an efficient and scalable algorithm for performing matrix-vector multiplications (matvecs) for block Toeplitz matrices. Such matrices, which are shift-invariant with respect to their blocks, arise in the context of solving inverse problems governed by autonomous systems, and time-invariant systems in particular. In this article, we consider inverse problems that infer unknown parameters from observational data of a linear time-invariant dynamical system given in the form of partial differential equations (PDEs). Matrix-free Newton-conjugate-gradient methods are often the gold standard for solving these inverse problems, but they require numerous actions of the Hessian on a vector. Matrix-free adjoint-based Hessian matvecs require solution of a pair of linearized forward/adjoint PDE solves per Hessian action, which may be prohibitive for large-scale inverse problems. Time invariance of the forward PDE problem leads to a block Toeplitz structure of the discretized parameter-to-observable (p2o) map defining the mapping from inputs (parameters) to outputs (observables) of the PDEs. This block Toeplitz structure enables us to exploit two key properties: (1) compact storage of the p2o map and its adjoint, and (2) efficient fast Fourier transform–based Hessian matvecs. The proposed algorithm is mapped onto large multi-GPU clusters and achieves more than 80% of peak bandwidth on NVIDIA A100 GPUs. Excellent weak scaling is shown for up to 48 A100 GPUs. For the targeted problems, the implementation executes Hessian matvecs within fractions of a second, which is orders of magnitude faster than can be achieved by conventional matrix-free Hessian matvecs via forward/adjoint PDE solves.

97 MATHEMATICS AND COMPUTING↗

Adaptive, Distributed Control of Constrained Multi-Agent Systems

Product Distribution (PO) theory was recently developed as a broad framework for analyzing and optimizing distributed systems. Here we demonstrate its use for adaptive distributed control of Multi-Agent Systems (MASS), i.e., for distributed stochastic optimization using MAS s. First we review one motivation of PD theory, as the information-theoretic extension of conventional full-rationality game theory to the case of bounded rational agents. In this extension the equilibrium of the game is the optimizer of a Lagrangian of the (Probability dist&&on on the joint state of the agents. When the game in question is a team game with constraints, that equilibrium optimizes the expected value of the team game utility, subject to those constraints. One common way to find that equilibrium is to have each agent run a Reinforcement Learning (E) algorithm. PD theory reveals this to be a particular type of search algorithm for minimizing the Lagrangian. Typically that algorithm i s quite inefficient. A more principled alternative is to use a variant of Newton's method to minimize the Lagrangian. Here we compare this alternative to RL-based search in three sets of computer experiments. These are the N Queen s problem and bin-packing problem from the optimization literature, and the Bar problem from the distributed RL literature. Our results confirm that the PD-theory-based approach outperforms the RL-based scheme in all three domains.

Bieniawski, Stefan↗

Perfect X-ray focusing via fitting corrective glasses to aberrated optics

Due to their short wavelength, X-rays can in principle be focused down to a few nanometres and below. At the same time, it is this short wavelength that puts stringent requirements on X-ray optics and their metrology. Both are limited by today’s technology. In this work, we present accurate at wavelength measurements of residual aberrations of a refractive X-ray lens using ptychography to manufacture a corrective phase plate. Together with the fitted phase plate the optics shows diffraction-limited performance, generating a nearly Gaussian beam profile with a Strehl ratio above 0.8. As a result, this scheme can be applied to any other focusing optics, thus solving the X-ray optical problem at synchrotron radiation sources and X-ray free-electron lasers.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Large scale structure from viscous dark matter

Cosmological perturbations of sufficiently long wavelength admit a fluid dynamic description. We consider modes with wavevectors below a scale k{sub m} for which the dynamics is only mildly non-linear. The leading effect of modes above that scale can be accounted for by effective non-equilibrium viscosity and pressure terms. For mildly non-linear scales, these mainly arise from momentum transport within the ideal and cold but inhomogeneous fluid, while momentum transport due to more microscopic degrees of freedom is suppressed. As a consequence, concrete expressions with no free parameters, except the matching scale k{sub m}, can be derived from matching evolution equations to standard cosmological perturbation theory. Two-loop calculations of the matter power spectrum in the viscous theory lead to excellent agreement with N-body simulations up to scales k=0.2 h/Mpc. The convergence properties in the ultraviolet are better than for standard perturbation theory and the results are robust with respect to variations of the matching scale.

79 ASTRONOMY AND ASTROPHYSICS↗

A cut-cell finite volume – finite element coupling approach for fluid–structure interaction in compressible flow

We present a loosely coupled approach for the solution of fluid–structure interaction problems between a compressible flow and a deformable structure. The method is based on staggered Dirichlet–Neumann partitioning. The interface motion in the Eulerian frame is accounted for by a conservative cut-cell Immersed Boundary method. The present approach enables sub-cell resolution by considering individual cut-elements within a single fluid cell, which guarantees an accurate representation of the time-varying solid interface. The cut-cell procedure inevitably leads to non-matching interfaces, demanding for a special treatment. A Mortar method is chosen in order to obtain a conservative and consistent load transfer. We validate our method by investigating two-dimensional test cases comprising a shock-loaded rigid cylinder and a deformable panel. Moreover, the aeroelastic instability of a thin plate structure is studied with a focus on the prediction of flutter onset. Finally, we propose a three-dimensional fluid–structure interaction test case of a flexible inflated thin shell interacting with a shock wave involving large and complex structural deformations.

42 ENGINEERING↗

THE DYNAMICAL EVOLUTION OF STELLAR BLACK HOLES IN GLOBULAR CLUSTERS

Our current understanding of the stellar initial mass function and massive star evolution suggests that young globular clusters (GCs) may have formed hundreds to thousands of stellar-mass black holes (BHs), the remnants of stars with initial masses from ∼20-100 M {sub ☉}. Birth kicks from supernova explosions may eject some BHs from their birth clusters, but most should be retained. Using a Monte Carlo method we investigate the long-term dynamical evolution of GCs containing large numbers of stellar BHs. We describe numerical results for 42 models, covering a broad range of realistic initial conditions, including up to 1.6 × 10{sup 6} stars. In almost all models we find that significant numbers of BHs (up to ∼10{sup 3}) are retained all the way to the present. This is in contrast to previous theoretical expectations that most BHs should be ejected dynamically within a few gigayears The main reason for this difference is that core collapse driven by BHs (through the Spitzer {sup m}ass segregation instability{sup )} is easily reverted through three-body processes, and involves only a small number of the most massive BHs, while lower-mass BHs remain well-mixed with ordinary stars far from the central cusp. Thus the rapid segregation of stellar BHs does not lead to a long-term physical separation of most BHs into a dynamically decoupled inner core, as often assumed previously. Combined with the recent detections of several BH X-ray binary candidates in Galactic GCs, our results suggest that stellar BHs could still be present in large numbers in many GCs today, and that they may play a significant role in shaping the long-term dynamical evolution and the present-day dynamical structure of many clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

Imaging of a fluid injection process using geophysical data — A didactic example

In many subsurface industrial applications, fluids are injected into or withdrawn from a geologic formation. It is of practical interest to quantify precisely where, when, and by how much the injected fluid alters the state of the subsurface. Routine geophysical monitoring of such processes attempts to image the way that geophysical properties, such as seismic velocities or electrical conductivity, change through time and space and to then make qualitative inferences as to where the injected fluid has migrated. The more rigorous formulation of the time-lapse geophysical inverse problem forecasts how the subsurface evolves during the course of a fluid-injection application. Using time-lapse geophysical signals as the data to be matched, the model unknowns to be estimated are the multiphysics forward-modeling parameters controlling the fluid-injection process. Properly reproducing the geophysical signature of the flow process, subsequent simulations can predict the fluid migration and alteration in the subsurface. The dynamic nature of fluid-injection processes renders imaging problems more complex than conventional geophysical imaging for static targets. This work intents to clarify the related hydrogeophysical parameter estimation concepts.

58 GEOSCIENCES↗

Hill crossing during preheating after hilltop inflation

In ''hilltop inflation'', inflation takes place when the inflaton field slowly rolls from close to a maximum of its potential (i.e. the ''hilltop'') towards its minimum. When the inflaton potential is associated with a phase transition, possible topological defects produced during this phase transition, such as domain walls, are efficiently diluted during inflation. It is typically assumed that they also do not reform after inflation, i.e. that the inflaton field stays on its side of the ''hill'', finally performing damped oscillations around the minimum of the potential. In this paper we study the linear and the non-linear phases of preheating after hilltop inflation. We find that the fluctuations of the inflaton field during the tachyonic oscillation phase grow strong enough to allow the inflaton field to form regions in position space where it crosses ''over the top of the hill'' towards the ''wrong vacuum''. We investigate the formation and behaviour of these overshooting regions using lattice simulations: rather than durable domain walls, these regions form oscillon-like structures (i.e. localized bubbles that oscillate between the two vacua) which should be included in a careful study of preheating in hilltop inflation.

79 ASTRONOMY AND ASTROPHYSICS↗

Performance tuning of CEED software and 1st and 2nd wave apps

The goal of this milestone was the performance tuning of the CEED software, as well as the use and tuning of CEED to accelerate the first and second wave of targeted ECP applications. In this milestone, the CEED team developed optimization techniques and tuned for performance the CEED software to accelerate the first and second wave target ECP applications. Specifically, the focus was on the following: (1) Efficient use of the memory sub-system for managing data motion and interactions among different physics packages and libraries; this included integration of the new developments in a libCEED 0.5 software release; (2) Enhancing the CEED libraries with GPU and AMD GPU support in close interaction with vendors; (3) Optimal data locality and motion, and enhanced scalability and parallelism; this included vendors interactions for improvements in data motion and making strong scaling easier and more efficient; and (4) Continue boosting performance for the first-wave and second-wave of ECP target applications, including ExaSMR, ExaWind, Urban, MARBL, E3SM, and ExaAM. A main part of this milestone was the performance tuning of the CEED first-wave and second-wave ECP applications. This included the ExaSMR application – Coupled Monte Carlo Neutronics and Fluid Flow Simulation of Small Modular Reactors (ORNL), the MARBL application – Next-Gen Multi-physics Simulation Code (LLNL), and the ExaAM ExaConstit – a miniapp for the Transforming Additive Manufacturing through Exascale Simulation applications project (ExaAM), as well as ExaWind, Urban, and E3SM. The artifacts delivered include performance improvements in CEED’s 1st and 2nd wave of applications, and tuned CEED software for various architectures through a number of backends, freely available in the CEED’s repository on GitHub. See the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed for more details. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q4 of FY19 including: CEED’s third annual meeting, MFEM GPU kernels scaling improvements, libCEED 0.5 and NekRS releases, an overview paper covering latest results on a set of bake-off high-order finite element problems (BPs), and other outreach efforts.

97 MATHEMATICS AND COMPUTING↗

Using Filter Methods to Guide Convergence for ADMM, with Applications to Nonnegative Matrix Factorization Problems

Nonconvex, nonlinear optimization problems arise naturally in parameter fitting and machine learning. While augmented Lagrangian methods have demonstrated robust convergence for classes of these problems, their convergence for block updates has been relatively unexplored outside of the context of the alternating direction method of multipliers (ADMM). ADMM has seen extensive use in these applications, but may exhibit uncertain convergence behavior in many practical nonconvex settings, and struggles with general nonlinear constraints. In contrast, filter methods have proved effective in enforcing convergence for sequential quadratic programming methods and interior point methods with feasibility criteria. We develop an ADMM-filter method for highly nonlinear and nonconvex problems. Here, we show convergence under mild assumptions for several types of coordinate descent schemes, and demonstrate our algorithm on nonnegative matrix factorization and completion problems in imaging and chemical spectrum analysis.

Nonconvex optimization↗

Transition to turbulence and noise radiation in heated coaxial jet flows

Laminar-turbulent transition and noise radiation of a parametrized set of subsonic coaxial jet flows with a hot primary (core) stream are investigated numerically by Large-Eddy Simulation (LES) and direct noise computation. This study extends our previous research on local linear stability of heated coaxial jet flows by analyzing the nonlinear evolution of initially laminar flows disturbed by a superposition of small-amplitude unstable eigenmodes. First, a baseline configuration is studied to shed light on the flow dynamics of coaxial jet flows. Subsequently, LESs are performed for a range of Mach and Reynolds numbers to systematically analyze the influences of the temperature and the velocity ratios between the primary and the secondary (bypass) stream. The results provide a basis for a detailed analysis of fundamental flow-acoustic phenomena in the considered heated coaxial jet flows. Increasing the primary-jet temperature leads to an increase of fluctuation levels and to an amplification of far-field noise, especially at low frequencies. Strong mixing between the cold bypass stream and the hot primary stream as well as the intermittent character of the flow field at the end of the potential core lead to a pronounced noise radiation at an aft angle of approximately 35{sup ∘}. The velocity ratio strongly affects the shear-layer development and therefore also the noise generation mechanisms. Increasing the secondary-stream velocity amplifies the dominance of outer shear-layer perturbations while the disturbance growth rates in the inner shear layer decrease. Already for r{sub mic} > 40R{sub 1}, where r{sub mic} is the distance from the end of the potential core and R{sub 1} is the core-jet radius, a perfect 1/r{sub mic} decay of the sound pressure amplitudes is observed. The potential-core length increases for higher secondary-stream velocities which leads to a shift of the center of the dominant acoustic radiation in the downstream direction.

42 ENGINEERING↗

Sparse-grid discontinuous Galerkin methods for the Vlasov–Poisson–Lenard–Bernstein model

Sparse-grid methods have recently gained interest in reducing the computational cost of solving high-dimensional kinetic equations. In this paper, we construct adaptive and hybrid sparse-grid methods for the Vlasov–Poisson–Lenard–Bernstein (VPLB) model. This model has applications to plasma physics and is simulated in two reduced geometries: a 0x3v space homogeneous geometry and a 1x3v slab geometry. Here we use the discontinuous Galerkin (DG) method as a base discretization due to its high-order accuracy and ability to preserve important structural properties of partial differential equations. We utilize a multiwavelet basis expansion to determine the sparse-grid basis and the adaptive mesh criteria. We analyze the proposed sparse-grid methods on a suite of three test problems by computing the savings afforded by sparse-grids in comparison to standard solutions of the DG method. The results are obtained using the adaptive sparse-grid discretization library ASGarD.

97 MATHEMATICS AND COMPUTING↗

Hybrid Machine Learning for Scanning Near-Field Optical Spectroscopy

The underlying physics behind an experimental observation often lacks a simple analytical description. This is especially the case for scanning probe microscopy techniques, where the interaction between the probe and the sample is nontrivial. Realistic modeling to include the details of the probe is always exponentially more difficult than its "spherical cow" counterparts. On the other hand, a well-trained artificial neural network based on real data can grasp the hidden correlation between the signal and sample properties. In this work, we show that, via a combination of model calculation and experimental data acquisition, a physics-infused hybrid neural network can predict the tip-sample interaction in the widely used scattering-type scanning near-field optical microscope. This hybrid network provides a long-sought solution for accurate extraction of material properties from tip-specific raw data. The methodology can be extended to other scanning probe microscopy techniques as well as other data-oriented physical problems in general.

36 MATERIALS SCIENCE↗

Solution of elastic-plastic stress analysis problems by the p-version of the finite element method

The solution of small strain elastic-plastic stress analysis problems by the p-version of the finite element method is discussed. The formulation is based on the deformation theory of plasticity and the displacement method. Practical realization of controlling discretization errors for elastic-plastic problems is the main focus. Numerical examples which include comparisons between the deformation and incremental theories of plasticity under tight control of discretization errors are presented.

Szabo, Barna A.↗

Thermodynamics-guided alloy and process design for additive manufacturing

In conventional processing, metals go through multiple manufacturing steps including casting, plastic deformation, and heat treatment to achieve the desired property. In additive manufacturing (AM) the same target must be reached in one fabrication process, involving solidification and cyclic remelting. The thermodynamic and kinetic differences between the solid and liquid phases lead to constitutional undercooling, local variations in the solidification interval, and unexpected precipitation of secondary phases. These features may cause many undesired defects, one of which is the so-called hot cracking. The response of the thermodynamic and kinetic nature of these phenomena to high cooling rates provides access to the knowledge-based and tailored design of alloys for AM. Here, we illustrate such an approach by solving the hot cracking problem, using the commercially important IN738LC superalloy as a model material. The same approach could also be applied to adapt other hot-cracking susceptible alloy systems for AM.

36 MATERIALS SCIENCE↗

ASGarD: Adaptive Sparse Grid Discretization

Many areas of science exhibit physical processes that are described by high dimensional partial differential equations (PDEs), e.g., the 4D, 5D and 6D models describing magnetized fusion plasmas, models describing quantum chemistry, or derivatives pricing. Such problems are affected by the so-called “curse of dimensionality” where the number of degrees of freedom (or unknowns) required to be solved for scales as N D where N is the number of grid points in any given dimension D. A simple, albeit naive, 6D example is demonstrated in the left panel of Figure 1. With N = 1000 grid points in each dimension, the memory required just to store the solution vector, not to mention forming the matrix required to advance such a system in time, would exceed an exabyte - and also the available memory on the largest of supercomputers available today. The right panel of Figure 1 demonstrates potential savings for a range of problem dimensionalities and grid resolution. While there are methods to simulate such high-dimensional systems, they are mostly based on Monte-Carlo methods, which rely on a statistical sampling such that the resulting solutions include noise. Since the noise in such methods can only be reduced at a rate proportional to $\sqrt{N_p}$ where N p is the number of Monte-Carlo samples, there is a need for continuum, or grid/mesh-based methods for high-dimensional problems, which both do not suffer from noise and bypass the curse of dimensionality. We present a simulation framework that provides such a method using adaptive sparse grids.

97 MATHEMATICS AND COMPUTING↗