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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 649 records · Page 36

Deep Electric Field Predictions by Drift-Reduced Braginskii Theory with Plasma-Neutral Interactions Based on Experimental Images of Boundary Turbulence

We present 2-dimensional turbulent electric field calculations via physics-informed deep learning consistent with (i) drift-reduced Braginskii theory under the framework of an axisymmetric fusion plasma with purely toroidal field and (ii) experimental estimates of the fluctuating electron density and temperature on open field lines obtained from analysis of gas puff imaging of a discharge on the Alcator C-Mod tokamak. The inclusion of effects from the locally puffed atomic helium on particle and energy sources within the reduced plasma turbulence model are found to strengthen correlations between the electric field and electron pressure. The neutrals are also directly associated with broadening the distribution of turbulent field amplitudes and increasing ${\bf E \times B}$ shearing rates. As a result, this demonstrates a novel approach in plasma experiments by solving for nonlinear dynamics consistent with partial differential equations and data without encoding explicit boundary nor initial conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Continuum theories for fluid-particle flows: Some aspects of lift forces and turbulence

A general framework is outlined for the modeling of fluid particle flows. The momentum exchange between the constituents embodies both lift and drag forces, constitutive equations for which can be made explicit with reference to known single particle analysis. Relevant results for lift are reviewed, and invariant representations are posed. The fluid and particle velocities and the particle volume fraction are then decomposed into mean and fluctuating parts to characterize turbulent motions, and the equations of motion are averaged. In addition to the Reynolds stresses, further correlations between concentration and velocity fluctuations appear. These can be identified with turbulent transport processes such as eddy diffusion of the particles. When the drag force is dominant, the classical convection dispersion model for turbulent transport of particles is recovered. When other interaction forces enter, particle segregation effects can arise. This is illustrated qualitatively by consideration of turbulent channel flow with lift effects included.

Mctigue, David F.↗

Thermoviscoplastic model with application to copper

A viscoplastic model is developed which is applicable to anisothermal, cyclic, and multiaxial loading conditions. Three internal state variables are used in the model; one to account for kinematic effects, and the other two to account for isotropic effects. One of the isotropic variables is a measure of yield strength, while the other is a measure of limit strength. Each internal state variable evolves through a process of competition between strain hardening and recovery. There is no explicit coupling between dynamic and thermal recovery in any evolutionary equation, which is a useful simplification in the development of the model. The thermodynamic condition of intrinsic dissipation constrains the thermal recovery function of the model. Application of the model is made to copper, and cyclic experiments under isothermal, thermomechanical, and nonproportional loading conditions are considered. Correlations and predictions of the model are representative of observed material behavior.

Freed, Alan D.↗

Instability and dynamics of two nonlinearly coupled intense laser beams in a quantum plasma

We consider nonlinear interactions between two relativistically strong laser beams and a quantum plasma composed of degenerate electron fluids and immobile ions. The collective behavior of degenerate electrons is modeled by quantum hydrodynamic equations composed of the electron continuity, quantum electron momentum (QEM) equation, as well as the Poisson and Maxwell equations. The QEM equation accounts the quantum statistical electron pressure, the quantum electron recoil due to electron tunneling through the quantum Bohm potential, electron-exchange, and electron-correlation effects caused by electron spin, and relativistic ponderomotive forces (RPFs) of two circularly polarized electromagnetic (CPEM) beams. The dynamics of the latter are governed by nonlinear wave equations that include nonlinear currents arising from the relativistic electron mass increase in the CPEM wave fields, as well as from the beating of the electron quiver velocity and electron density variations reinforced by the RPFs of the two CPEM waves. Furthermore, nonlinear electron density variations associated with the driven (by the RPFs) quantum electron plasma oscillations obey a coupled nonlinear Schroedinger and Poisson equations. The nonlinearly coupled equations for our purposes are then used to obtain a general dispersion relation (GDR) for studying the parametric instabilities and the localization of CPEM wave packets in a quantum plasma. Numerical analyses of the GDR reveal that the growth rate of a fastest growing parametrically unstable mode is in agreement with the result that has been deduced from numerical simulations of the governing nonlinear equations. Explicit numerical results for two-dimensional (2D) localized CPEM wave packets at nanoscales are also presented. Possible applications of our investigation to intense laser-solid density compressed plasma experiments are highlighted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reducing the Cost of Energy Differences in Variational Monte Carlo with Spotlight Sampling

Here, we investigate an approximate sampling scheme that can significantly reduce the cost scaling of variational Monte Carlo when it is employed to predict the energy differences associated with local chemical changes. Inspired by side-chaining and embedding methods, this spotlight sampling approach adopts an approximate fragmented Hamiltonian and correlated sampling to reduce cost scaling to the point that it is essentially linear with system size, with the potential to go sublinear if certain conditions are met. In tests on bond stretching energies in alcohols, hydrogen dimer chains, and molecules with various degrees of π-system delocalization, we observe the anticipated linear scaling and an explicit cost crossover with standard variational Monte Carlo.

Bumann, Sonja [University of California, Berkeley,↗

On the non-linear scale of cosmological perturbation theory

We discuss the convergence of cosmological perturbation theory. We prove that the polynomial enhancement of the non-linear corrections expected from the effects of soft modes is absent in equal-time correlators like the power or bispectrum. We first show this at leading order by resumming the most important corrections of soft modes to an arbitrary skeleton of hard fluctuations. We derive the same result in the eikonal approximation, which also allows us to show the absence of enhancement at any order. We complement the proof by an explicit calculation of the power spectrum at two-loop order, and by further numerical checks at higher orders. Using these insights, we argue that the modification of the power spectrum from soft modes corresponds at most to logarithmic corrections at any order in perturbation theory. Finally, we discuss the asymptotic behavior in the large and small momentum regimes and identify the expansion parameter pertinent to non-linear corrections.

79 ASTRONOMY AND ASTROPHYSICS↗

Bird Migration Under Climate Change - A Mechanistic Approach Using Remote Sensing

The broad-scale reductions and shifts that may be expected under climate change in the availability and quality of stopover habitat for long-distance migrants is an area of increasing concern for conservation biologists. Researchers generally have taken two broad approaches to the modeling of migration behaviour to understand the impact of these changes on migratory bird populations. These include models based on causal processes and their response to environmental stimulation, "mechanistic models", or models that primarily are based on observed animal distribution patterns and the correlation of these patterns with environmental variables, i.e. "data driven" models. Investigators have applied the latter technique to forecast changes in migration patterns with changes in the environment, for example, as might be expected under climate change, by forecasting how the underlying environmental data layers upon which the relationships are built will change over time. The learned geostatstical correlations are then applied to the modified data layers.. However, this is problematic. Even if the projections of how the underlying data layers will change are correct, it is not evident that the statistical relationships will remain the same, i.e. that the animal organism may not adapt its' behaviour to the changing conditions. Mechanistic models that explicitly take into account the physical, biological, and behaviour responses of an organism as well as the underlying changes in the landscape offer an alternative to address these shortcomings. The availability of satellite remote sensing observations at multiple spatial and temporal scales, coupled with advances in climate modeling and information technologies enable the application of the mechanistic models to predict how continental bird migration patterns may change in response to environmental change. In earlier work, we simulated the impact of effects of wetland loss and inter-annual variability on the fitness of migratory shorebirds in the central fly ways of North America. We demonstrated the phenotypic plasticity of a migratory population of Pectoral sandpipers consisting of an ensemble of 10,000 individual birds in response to changes in stopover locations using an individual based migration model driven by remotely sensed land surface data, climate data and biological field data. With the advent of new computing capabilities enabled hy recent GPU-GP computing paradigms and commodity hardware, it now is possible to simulate both larger ensemble populations and to incorporate more realistic mechanistic factors into migration models. Here, we take our first steps use these tools to study the impact of long-term drought variability on shorebird survival.

Smith, James A.↗

Hamming distance and the onset of quantum criticality

Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight configurations in the sampling, that is, the sign problem (SP). There have been several recent calculations which exploit the SP to locate underlying critical behavior. Here, utilizing a metric that quantifies phase-space ergodicity in such sampling, the Hamming distance, we suggest a significant advance on these ideas to extract the location of quantum critical points in various fermionic models, in spite of the presence of a severe SP. Combined with other methods, exact diagonalization in our case, it elucidates both the nature of the different phases as well as their location, as we demonstrate explicitly for the honeycomb and triangular Hubbard models, in both their U(1) and SU(2) forms. Furthermore, our approach exemplifies a possible path allowing the exploration of the phase diagram of a variety of fermionic quantum models hitherto considered to be impractical via quantum Monte Carlo simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Mean field model parameterization to recover coverage-dependent kinetics

Lateral interactions between adsorbates introduce coverage dependence into adsorption energies and activation barriers of surface reactions. Lattice-based kinetic Monte Carlo (kMC) simulations can capture these interactions quantitatively but are laborious to parameterize and solve. Mean field models are more tractable, but protocols to construct and parameterize them are unclear. Here we explore the ability of a coverage-aware mean-field model to map to a lattice-kMC model of a generic two-step reaction network, including quasi-equilibrated adsorption and rate-limiting dissociation steps. We derive expressions for mean-field and coverage-dependent adsorption energies and dissociation barriers and parameterize against lattice-kMC predictions. We show that the parameterized mean-field rates correlate with ground truth lattice-kMC results across a wide range of reaction conditions and identify regions where the mean field fails. The mean field model similarly captures kMC-derived rate-order, Arrhenius and Sabatier plots at a greatly reduced computational cost. Further, the results provide guidance for parameterizing mean-field models, benchmarked against explicit lattice-based approaches for incorporating the influence of coverage effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Communication: A new class of non-empirical explicit density functionals on the third rung of Jacob’s ladder

We construct an orbital-free non-empirical meta-generalized gradient approximation (GGA) functional, which depends explicitly on density through the density overlap regions indicator [P. de Silva and C. Corminboeuf, J. Chem. Theory Comput. 10, 3745 (2014)]. The functional does not depend on either the kinetic energy density or the density Laplacian; therefore, it opens a new class of meta-GGA functionals. By construction, our meta-GGA yields exact exchange and correlation energy for the hydrogen atom and recovers the second order gradient expansion for exchange in the slowly varying limit. We show that for molecular systems, overall performance is better than non-empirical GGAs. For atomization energies, performance is on par with revTPSS, without any dependence on Kohn-Sham orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SODAs: sparse optimization for the discovery of differential and algebraic equations

Differential-algebraic equations (DAEs) integrate ordinary differential equations (ODEs) with algebraic constraints, providing a fundamental framework for developing models of dynamical systems characterized by time-scale separation, conservation laws and physical constraints. While sparse optimization has revolutionized model development by allowing data-driven discovery of parsimonious models from a library of possible equations, existing approaches for dynamical systems assume DAEs can be reduced to ODEs by eliminating variables before model discovery. This assumption limits the applicability of such methods for DAE systems with unknown constraints and time scales. We introduce sparse optimization for differential-algebraic systems (SODAs), a data-driven method for the identification of DAEs in their explicit form. By discovering the algebraic and dynamic components sequentially without prior identification of the algebraic variables, this approach leads to a sequence of convex optimization problems. It has the advantage of discovering interpretable models that preserve the structure of the underlying physical system. To this end, SODAs improves since SODAs is singular numerical stability when handling high correlations between library terms, caused by near-perfect algebraic relationships, by iteratively refining the conditioning of the candidate library. We demonstrate the performance of our method on biological, mechanical and electrical systems, showcasing its robustness to noise in both simulated time series and real-time experimental data.

DAE↗

Stochastic approach to correlations beyond the mean field with the Skyrme interaction

Large-scale calculation based on the multi-configuration Skyrme density functional theory is performed for the light N=Z even-even nucleus, {sup 12}C. Stochastic procedures and the imaginary-time evolution are utilized to prepare many Slater determinants. Each state is projected on eigenstates of parity and angular momentum. Then, performing the configuration mixing calculation with the Skyrme Hamiltonian, we obtain low-lying energy-eigenstates and their explicit wave functions. The generated wave functions are completely free from any assumption and symmetry restriction. Excitation spectra and transition probabilities are well reproduced, not only for the ground-state band, but for negative-parity excited states and the Hoyle state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Microphysical Interpretation of Cirrus Measurements With Lidar

Cirrus measurements obtained with a ground-based polarization Raman lidar at 67.9 N in January 1997 reveal a strong correlation between the particle optical properties, specifically depolarization ratio delta and extinct ion-to-backscatter ratio S, for ambient cloud temperatures above approximately -45 C (delta less than approximately 40%), and an anti-correlation for colder temperatures (delta greater than approximately 40%). Over the length of the measurements (4-7.5 hours) the particle properties vary systematically: Initially, delta approximately equal to 60% and S approximately equal to 10sr are observed. Then, with decreasing delta, S first increases to approximately 27 sr(delta approximately equal to 40%) before decreasing to values around 10 sr again (delta approximately equal to 20%). The particle optical properties distinctly depend on the ambient temperature. For the microphysical analysis of the lidar observations. ray-tracing computations of particle scattering properties and a size-distribution resolving cirrus model with explicit microphysics have been used. The theoretical studies show that the optical properties and their temporal evolution can be interpreted in terms of size, shape, and growth of the cirrus particles: Near the cloud top in the early stage of the cirrus development, light scattering by small hexagonal columns with aspect ratios close to one is dominant. Over time the cloud base height extends to lower altitudes with warmer temperatures, the ice particles grow and get morphologically diverse (the scattering contributions of hexagonal columns and plates are roughly the same for large S and depolarization values of approximately 40%). In the lower ranges of the cirrus clouds, light scattering is predominantly by plate-like or complex ice particles. Mid-latitude cirrus data measured with the same instrument at 53.4 N between 1994 and 1996 follow closely the correlation between delta and S found in the warmer regions of the Arctic cirrus clouds (delta less than approximately 40%). Cirrus clouds with higher depolarization ratios are rarely observed, even for very cold ambient temperatures. Atmospheric parameters other than temperature, e.g., the availability of water vapor, are also important for the growth and the morphology of cirrus particles.

Reichardt, Jens↗

Shock compression behavior of stainless steel 316L octet-truss lattice structures

Lattice structures offer desirable mechanical properties for applications of energy absorption and impact mitigation but limited research has been carried out on their shock compression behavior. In this work, the shock compression behavior of stainless steel 316L (SS316L) octet-truss lattice structures was investigated through experimental techniques and numerical simulations. Plate impact experiments with high-speed imaging were conducted at impact velocities of 270 – 390 m/s on lattice specimens with 5x5x10 unit cell geometries additively manufactured (AM) using direct metal laser sintering. High-speed imaging together with digital image correlation was used to extract full-field measurements and define a two-wave structure consisting of an elastic wave and planar compaction (shock) wave which propagated along the impact direction. A linear shock velocity versus particle velocity relation was found to approximate the measurements with a unit slope and a linear fit constant equal to the crushing speed. Furthermore, the shock velocity versus particle velocity relation, full-field measurements, and elastic limit together with the Eulerian form of the Rankine-Hugoniot jump conditions were used to find relations for the stress and internal energy behind the shock. Stress behind the shock increased with relative density and particle velocity, and specific internal energy converged to a single curve similar to that of bulk AM SS316L. Explicit finite element analysis using the Johnson-Cook constitutive model demonstrated similar shock behavior observed in experiments and a linear shock velocity versus particle velocity relation and corresponding Hugoniot calculations were found to be in agreement with experimental results. Numerical simulations confirmed negligible effects of exterior versus interior measurements and further validated the application of one-dimensional shock theory.

42 ENGINEERING↗

A modal wave-packet model for the multi-mode Richtmyer–Meshkov instability

In this work, a model for multimode perturbations subject to the Richtmyer–Meshkov (RM) instability is presented and compared with simulations and experiments for conditions relevant to inertial confinement fusion. The model utilizes the single mode response to the RM impulse whereby its amplitude h(k, t) first grows with an initial velocity V 0 ∝ kh(k, 0) that eventually decays in time as 1/kV 0 t. Both the growth and saturation stages are subject to nonlinearities since they depend explicitly on the initial amplitude. However, rather than using the individual mode amplitude h(k, t), nonlinearity is taken to occur when the root-mean-square amplitude h rms (k, t) of a wave-packet within wavenumbers k ± δk becomes comparable to 1/k. This is done because nearby sidebands can act in unison for an auto-correlation distance 1/δk beyond nonlinearity as observed in the beam-plasma instability. Thus, the nonlinear saturation amplitude for each mode is reduced from the usual 1/k by a phase space factor that depends on the physical dimensionality, as in the Haan model for the Rayleigh–Taylor instability. In addition, for RM, the average value of kh rms for the initial spectrum is used to calculate a nonlinear factor F NL that reduces V 0 , as observed for single modes. For broadband perturbations, the model describes self-similar growth ∝t θ as successively longer wavelength modes reach saturation. The growing and saturated modes must be discerned because only the former promote θ and are enhanced by reshock and spherical convergence. All of these flows are described here by the model in good agreement with simulations and experiments.

42 ENGINEERING↗

Modification of the Jet Energy-Energy Correlator in Cold Nuclear Matter

We compute medium corrections to the energy-energy correlator (EEC) for jets in electron-nucleus collisions at leading order in the QCD coupling and the interaction of the jet with the medium. We derive an analytical expression for the modification of the EEC as a function of the opening angle and show that the modification is strongest at large angles within the jet cone. We obtain explicit results for the dependence of the modification on the jet energy, the scattering power of cold nuclear matter, and the path length within the medium. We extend our calculations to gluon jets in proton-nucleus collisions and compare our results with recent preliminary data for proton-lead collisions at the LHC. Here, we also discuss the role of comovers on the EEC in p + Pb collisions.

Hard scattering↗

Sand Impact Tests of a Half-Scale Crew Module Boilerplate Test Article

Although the Orion Multi-Purpose Crew Vehicle (MPCV) is being designed primarily for water landings, a further investigation of launch abort scenarios reveals the possibility of an onshore landing at Kennedy Space Center (KSC). To gather data for correlation against simulations of beach landing impacts, a series of sand impact tests were conducted at NASA Langley Research Center (LaRC). Both vertical drop tests and swing tests with combined vertical and horizontal velocity were performed onto beds of common construction-grade sand using a geometrically scaled crew module boilerplate test article. The tests were simulated using the explicit, nonlinear, transient dynamic finite element code LS-DYNA. The material models for the sand utilized in the simulations were based on tests of sand specimens. Although the LSDYNA models provided reasonable predictions for peak accelerations, they were not always able to track the response through the duration of the impact. Further improvements to the material model used for the sand were identified based on results from the sand specimen tests.

Vassilakos, Gregory J.↗