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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Multigrid treatment of implicit continuum diffusion

Implicit treatment of diffusive terms of various differential orders common in continuum mechanics modeling, such as computational fluid dynamics, is investigated with spectral and multigrid algorithms in non-periodic 2D domains. In doubly periodic time dependent problems these terms are handled efficiently by spectral methods, but in non-periodic systems solved with distributed memory parallel computing and 2D domain decomposition, this efficiency is lost for a large number of processors. Here, we built and present here a multigrid algorithm for these types of problems that outperforms a spectral solution employing the highly optimized FFTW library. This solver is suitable for high performance computing and may be able to efficiently treat implicit diffusion of arbitrary order by introducing auxiliary equations of lower order. We test these solvers for fourth and sixth order diffusion with harmonic test functions as well as turbulent 2D magnetohydrodynamic simulations. It is also shown that an anisotropic operator without mixed-derivative terms improves model accuracy and speed, and we examine the impact that the various diffusion operators have on the energy, the enstrophy, and the qualitative aspect of a simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

GP-BayesOpInf

SAND2025-01851O GP-BayesOpInf is a software tool that uses algorithms to combine Gaussian process regression, principal component analysis, and linear Bayesian inference to produce a probabilistic reduced-order model for time-dependent systems. Numerical examples include the compressible Euler equations for an ideal gas, a heat diffusion process with a nonlinear reaction term, and a set of ordinary differential equations describing a compartmental model in epidemiology. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗
NASA NTRS1980

Nonequilibrium ionization due to thermal diffusion and mass flows

Recent calculations of diffusion coefficients are used in the continuity equation to compute ion populations of carbon in the solar transition region. Thermal diffusion causes strong departures from ionization equilibrium in the region where the temperature gradient is steepest. Mass-conserving flows are also included in our calculations. These dominate over thermal diffusion depending on the magnitude of the flows and also lead to departures from ionization equilibrium. These results have important implications for the interpretation of EUV line emission.

Roussel-Dupre, R.↗
NASA NTRS1984

Problems in simulating the stratocumulus-topped boundary layer with a third-order closure model

The Andre et al. (1976, 1978) third-order closure model, in which the time rate of change terms, the relaxation and rapid effects for pressure-related terms, and the clipping approximation are used along with the quasi-normal closure, is invoked in the study of turbulence in a cloudy layer that is radiatively cooled from above. A spurious oscillation whose greatest amplitude lies near the inversion is shown by analysis to arise from the mean gradient and buoyancy terms of the triple-moment equations. An attempt is made to damp the oscillation through the introduction of diffusion terms into the triple-moment equations. The results obtained are noted to be sensitive to the ad hoc eddy coefficient applied in the third-moment equations.

Moeng, C.-H.↗
NASA NTRS1979

The prediction of two- and three-dimensional asymmetrical turbulent wakes - A comparision of the performance of three turbulence models for the effects of streamline curvature and rotation

Two- and three-dimensional turbulent wakes which develop under the influence of streamline curvature and rotation were calculated with three turbulence closure models. The first model comprised of transport equations for the turbulent kinetic energy and the rate of energy dissipation. The second model comprised of equations for the rate of turbulent kinetic energy dissipation and Reynolds stresses, but the effects of the convection and diffusion in the Reynolds stress transport equation were handled collectively. The third model utilizes equations of turbulent kinetic energy dissipation and Reynolds stresses in nearly exact form. All of the three models were modified for the effects of streamline curvature. The second and third models include the effects of rotation through the rotation-originated redistribution term in the transport equation of Reynolds stresses. The numerical results for the wakes of airfoils, cascades and turbomachinery rotor blades demonstrate that the second and third models provide accurate predictions, but computer time and storage can be considerably saved with the second model.

Hah, C.↗
NASA NTRS1992

A finite element method for the thermochemical decomposition of polymeric materials. I - Theory

The governing differential equations are developed to model the thermomechanical behavior of chemically decomposing, polymeric materials. These equations account for thermal and gaseous diffusion through a poroelastic, transversely isotropic solid. The Bubnov-Galerkin finite element method is applied to the governing equations to cast the coupled set into a single matrix equation. A method for solving these equations simultaneously at each time step is discussed.

Sullivan, R. M.↗
NASA NTRS1980

Velocity and concentration distribution in a Stefan diffusion tube

Numerical solutions for the diffusion- and gravity-driven flow in a cylindrical Stefan tube were obtained from the coupled diffusion and Navier-Stokes equations of Peclet numbers 0.3, 1 and 5. Distributions of binary component concentrations and velocities were calculated. The mass average velocity is parabolic in nature, except at high Peclet numbers. The solvent is not stagnant but recirculates, even in the absence of gravity. Radial concentration gradients develop which act convectively destabilizing. Consequences for the deduction of diffusion coefficients from Stefan tube experiments are discussed.

Markham, B. L.↗
NASA NTRS1982

Solar reflection from a regular array of horizontally finite clouds

The reflected flux from a regular array of 2- and 3-D clouds has been computed to estimate the effect of fractional cloud cover on albedos and the solar flux available to heat the earth's surface. The broken clouds are represented by a regular array of identical cuboids for the 3-D problem and equally spaced, infinitely long, bars for the 2-D problem. A diffusion approximation to the radiative transfer equation is used to compute the fluxes leaving each face of the cloud. Interaction between clouds is simulated by assuming diffuse exitance from the cloud faces and applying angle factors to obtain modified boundary conditions on each cloud face.

Weinman, J. A.↗
NASA NTRS1986

Surface mass transport of alumina

Measurements were made of the kinetics of thermal grooving at the intersection of rhombohedral twin boundaries with the (1 0 -1 0) plane in alumina, at temperatures from 1773 to 2273 K. An analysis of the values obtained on the basis of the model of Mullins (1957) indicated that surface diffusion was the dominant mass transport mechanism. Comparisons are made with the results of other investigations of alumina, and an equation is derived for the surface diffusion value.

Gaddipati, A. R.↗
DOE OSTI2022

On the Diffusivity of Moist Static Energy and Implications for the Polar Amplification Response to Climate Warming

Energy balance models (EBMs) have been widely used in a range of climate problems, but the assumption of constant diffusivity in the parameterization of the moist static energy (MSE) flux can be hardly justified. We demonstrate in this study that the diffusive MSE flux can be derived from the basic energy balance equation with a few tolerable assumptions. The estimated diffusivity is both spatially and seasonally dependent, and its midlatitude average is then tested against several scaling theories for the midlatitude eddy diffusivity. The result supports the diffusivity theory of Held and Larichev (1996) modified for the moist atmosphere, affording a dynamics-based parameterization of MSE diffusivity. The implementation of the parameterization in an EBM leads to an interactive MSE diffusivity that accounts for the midlatitude eddy response to climate forcing perturbations. Under a uniform radiative forcing, the EBM with a diffusivity so parameterized produces a weakening of the midlatitude diffusivity and a modestly polar-amplified surface temperature response as an inevitable outcome under the dual constraints of the nonlinear Clausius-Clapeyron relation and the temperature gradient-dependent diffusivity, even in the absence of any poleward amplifying radiative feedbacks. As the consequence of more isothermal temperature and reduced diffusivity, the variance of the midlatitude surface temperature also decreases with warming.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

Numerical simulation of reentry flow around the Shuttle Orbiter including real gas effects

The flight environment of a reentry vehicle is predicted from the numerical solution of fluid dynamics equations for the region between the blunt nose and the swept wings. The inviscid portion of the shock layer is modeled by the Euler equations, but the laminar viscous flow adjacent to the wall is modeled by the approximate parabolic Navier-Stokes equations. The approximations made to the axial gradients of pressure and diffusive fluxes enable the coupled inviscid and viscous equations to be solved efficiently along the body axis. The equilibrium air aftbody code contains significant improvements over its predecessor which only considers a perfect gas model and noncircular configurations. The inclusion of numerical damping either explicitly or implicitly has extended its capabilities for predicting flow field around a winged configuration at higher Machs and greater angles of attack. The results are obtained on the cylindrical coordinates and satisfactory for the Shuttle Orbiter at a free-stream Mach number of 22 and an angle of attack of 40 deg. Also discussed are the inviscid formulation and its application for wind-tunnel conditions.

Li, C. P.↗
DOE OSTI2020

Microscopic Theory of Long-Time Center-of-Mass Self-Diffusion and Anomalous Transport in Ring Polymer Liquids

We construct a microscopic theory at the level of segment-scale correlated space–time intermolecular forces for the long-time center-of-mass (CM) diffusion constant and intermediate-time non-Fickian transport in dense solutions and melts of ring polymers. The approach combines ideas of polymer, colloid, and liquid-state statistical mechanics to quantify how the multifractal intra-ring conformational structure and inter-ring packing correlations determine dynamic caging constraints and time-dependent friction. Breakdown of Rouse theory is predicted to occur due to length scale-dependent temporal correlation of forces exerted on pairs of tagged ring segments from surrounding polymers. At large enough degrees of polymerization (N), a stronger scaling of the CM diffusion constant (D ∝ N –2 ) is predicted, with a crossover N D proportional to the product of the system-specific macromolecular volume fraction and dimensionless compressibility. In analogy with caging effects in glass-forming fluids, the theory does appear to begin to fail at sufficiently high N/N D for the center-of-mass diffusivity, likely due to another crossover to an even slower activated transport regime. However, use of N/N D with the theoretically predicted N D , in conjunction with dynamic blob scaling ideas for local Rouse friction, collapses semidilute and concentrated solution simulation data onto a master curve. Based on the same physical ideas employed to predict the diffusion constant, a generalized Langevin equation description is formulated for intermediate-time CM transport. It predicts two subdiffusive regimes that emerge due to the self-similar nature of internal ring structure. Analytic and numerical predictions for the apparent non-Fickian exponent as a function of time, N/N D and dimensionless compressibility, the evolution of the maximum degree of subdiffusive motion with N/N D , and the time scale for recovering Fickian diffusion are made, all of which are in good accordance with melt simulations. Furthermore, the present work sets the stage to address activated dynamics and glass formation on the macromolecular scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Equation of state and transport properties of warm dense helium via quantum molecular dynamics simulations

The equation of state, self-diffusion, and viscosity coefficients of helium have been investigated by quantum molecular dynamics (QMD) simulations in the warm dense matter regime. Our simulations are validated through the comparison with the reliable experimental data. The calculated principal and reshock Hugoniots of liquid helium are in good agreement with the gas-gun data. On this basis, we revisit the issue for helium, i.e., the possibility of the instabilities predicted by chemical models at around 2000 GPa and 10 g/cm{sup 3} along the pressure isotherms of 6309, 15 849, and 31 623 K. Our calculations show no indications of instability in this pressure-temperature region, which reconfirm the predictions of previous QMD simulations. The self-diffusion and viscosity coefficients of warm dense helium have been systematically investigated by the QMD simulations. We carefully test the finite-size effects and convergences of statistics, and obtain numerically converged self-diffusion and viscosity coefficients by using the Kubo-Green formulas. The present results have been used to evaluate the existing one component plasma models. Finally, the validation of the Stokes-Einstein relationship for helium in the warm dense regime is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Stochastic control with rough paths

We study a class of controlled differential equations driven by rough paths (or rough path realizations of Brownian motion) in the sense of Lyons. It is shown that the value function satisfies a HJB type equation; we also establish a form of the Pontryagin maximum principle. Deterministic problems of this type arise in the duality theory for controlled diffusion processes and typically involve anticipating stochastic analysis. We make the link to old work of Davis and Burstein (Stoch Stoch Rep 40:203–256, 1992) and then prove a continuous-time generalization of Roger’s duality formula [SIAM J Control Optim 46:1116–1132, 2007]. The generic case of controlled volatility is seen to give trivial duality bounds, and explains the focus in Burstein–Davis’ (and this) work on controlled drift. Our study of controlled rough differential equations also relates to work of Mazliak and Nourdin (Stoch Dyn 08:23, 2008).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

An improvement of convection fidelity in Euler calculations

A new solution procedure is presented to solve the Euler equations for steady, compressible, rotational, inviscid flows. The approach is aimed at achieving real inviscid solutions in Euler calculations by eliminating numerical diffusion. The variables in the Euler equations are divided into elliptic and convective quantities, using the Clebsch velocity decomposition. The convective quantities are then transported without numerical contamination using an efficient convection operator, while the elliptic quantities are integrated with a relaxation procedure. This approach provides a generalization of the full potential formulation to rotation Euler physics by allowing variations of convective quantities. Results are demonstrated for several transonic flows in two dimensions.

Lee, K. D.↗
DOE OSTI2021

Implicit and coupled fluid plasma solver with adaptive Cartesian mesh and its applications to non-equilibrium gas discharges

In this work, we present a new fluid plasma solver with adaptive Cartesian mesh (ACM) based on a full-Newton (nonlinear, implicit) scheme for non-equilibrium gas discharge plasma. The electrons and ions are described using drift-diffusion approximation coupled to Poisson equation for the electric field. The electron-energy transport equation is solved to account for electron thermal conductivity, Joule heating, and energy loss of electrons in collisions with neutral species. The rate of electron-induced ionization is a function of electron temperature and could also depend on electron density (important for plasma stratification). The ion and gas temperature are kept constant. The transport equations are discretized using a non-isothermal Scharfetter-Gummel scheme to resolve possible large temperature gradients in the sheaths. We demonstrate the new solver for simulations of direct current (DC) and radiofrequency (RF) discharges. The implicit treatment of the coupled equations allows using large time steps. The full-Newton method (FNM) enables fast nonlinear convergence at each time step, offering significantly improved simulation efficiency. We discuss the selection of time steps for solving different plasma problems. The new solver enables solving several problems we could not solve before with existing software: two- and three-dimensional structures of the entire DC discharges including cathode and anode regions, electric field reversals and double-layer formation, the normal cathode spot and an anode ring, moving striations in diffuse and constricted DC discharges, and standing striations in RF discharges. The developed FNM-ACM technique offers many benefits for tackling the disparity of gas discharge plasma systems' time scales and nonlinearity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Sheath formation around a dielectric droplet in a He atmospheric pressure plasma

Interactions at the interface between atmospheric pressure plasmas and liquids are being investigated to address applications ranging from nanoparticle synthesis to decontamination and fertilizer production. Furthermore, many of these applications involve activation of droplets wherein the droplet is fully immersed in the plasma and synergistically interacts with the plasma. To better understand these interactions, two-dimensional modeling of radio frequency (RF) glow discharges at atmospheric pressure operated in He with an embedded lossy dielectric droplet (tens of microns in size) was performed. The properties of the sheath that forms around the droplet were investigated over the RF cycle. The electric field in the bulk plasma polarizes the dielectric droplet while the electron drift in the external electric field is shadowed by the droplet. The interaction between the bulk and sheath electric fields produces a maximum in E/N (electric field/gas number density) at the equator on one side of the droplet where the bulk and sheath fields are aligned in the same direction and a minimum along the opposite equator. Due to resistive heating, the electron temperature T e is maximum 45° above and below the equator of the droplet where power deposition per electron is the highest. Although the droplet is, on the average, negatively charged, the charge density on the droplet is positive on the poles and negative on the equator, as the electron motion is primarily due to diffusion at the poles but due to drift at the equator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗