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All sources NASA NTRS DOE OSTI

DOE OSTI2017

A Multilevel, Hierarchical Sampling Technique for Spatially Correlated Random Fields

In this paper, we propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the Karhunen--Loève (KL) decomposition. However, the KL expansion requires solving a dense eigenvalue problem and is therefore computationally infeasible for large-scale problems. Sampling methods based on stochastic partial differential equations provide a highly scalable way to sample Gaussian fields, but the resulting parametrization is mesh dependent. We propose a multilevel decomposition of the stochastic field to allow for scalable, hierarchical sampling based on solving a mixed finite element formulation of a stochastic reaction-diffusion equation with a random, white noise source function. Lastly, numerical experiments are presented to demonstrate the scalability of the sampling method as well as numerical results of multilevel Monte Carlo simulations for a subsurface porous media flow application using the proposed sampling method.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1976

Lossy radial diffusion of relativistic Jovian electrons

The radial diffusion equation with synchrotron losses is solved by the Laplace-transform method for near equatorially mirroring relativistic electrons. The evolution of a power-law distribution function is found, and the characteristics of synchrotron burnoff are stated in terms of explicit parameters for an arbitrary diffusion coefficient of a specific form. The peaking of the 10.4-cm volume emissivity from Jupiter at an L shell of about 1.8 provides an estimate of the diffusion coefficient in the radiation belts; one value is suggested as the appropriate modification, for an equatorial field strength of 4.2 G, of the Birmingham et al. (1974) result. Nonsynchrotron losses are included phenomenologically; from the phase-space densities reported by McIlwain and Fillius (1975), the particle lifetime is estimated. Asymptotic forms for the distribution in the strong synchrotron loss regime are provided.

Barbosa, D. D.↗

NASA NTRS1976

Lossy radial diffusion of relativistic Jovian electrons

The radial diffusion equation with synchrotron losses was solved by the Laplace transform method for near-equatorially mirroring relativistic electrons. The evolution of a power law distribution function was found and the characteristics of synchrotron burn-off are stated in terms of explicit parameters for an arbitrary diffusion coefficient. Emissivity from the radiation belts of Jupiter was studied. Asymptotic forms for the distribution in the strong synchrotron loss regime are provided.

Barbosa, D. D.↗

NASA NTRS1993

Recent developments in high order K-exact reconstruction on unstructured meshes

This paper presents recent improvements in high-order K-exact reconstruction on unstructured meshes. The new reconstruction procedures are incorporated into a basic upwind finite-volume scheme suitable for solving scalar advection-diffusion equations as well as the Euler and Navier-Stokes equations. Numerical calculations are performed comparing the present method with lower order accurate reconstruction procedures (piecewise constant and piecewise linear) and various competing technologies such as the fluctuation splitting method of Roe (1987) and Deconinck et al. (1992) and a system-variant of the streamline diffusion Petrov-Galerkin method developed by Hansbo (1991) and Hansbo and Johnson (1991). Five test problems are used in the numerical comparisons: scalar circular advection, transonic and supersonic Euler flow, laminar boundary-layer flow, and general compressible Navier-Stokes flow.

Barth, Timothy J.↗

NASA NTRS1999

Efficient Multi-Stage Time Marching for Viscous Flows via Local Preconditioning

A new method has been developed to accelerate the convergence of explicit time-marching, laminar, Navier-Stokes codes through the combination of local preconditioning and multi-stage time marching optimization. Local preconditioning is a technique to modify the time-dependent equations so that all information moves or decays at nearly the same rate, thus relieving the stiffness for a system of equations. Multi-stage time marching can be optimized by modifying its coefficients to account for the presence of viscous terms, allowing larger time steps. We show it is possible to optimize the time marching scheme for a wide range of cell Reynolds numbers for the scalar advection-diffusion equation, and local preconditioning allows this optimization to be applied to the Navier-Stokes equations. Convergence acceleration of the new method is demonstrated through numerical experiments with circular advection and laminar boundary-layer flow over a flat plate.

Kleb, William L.↗

NASA NTRS1999

Efficient Multi-Stage Time Marching for Viscous Flows via Local Preconditioning

Kleb, William L.↗

DOE OSTI2023

Mass transfer in catalytic depolymerization: External effectiveness factors and serendipitous processivity in stagnant and stirred melts

Several heterogeneous catalysts are being developed to recycle plastics. Most operate in viscous polymer melts, where external mass transfer effects could limit the supply of co-reactants to active sites. External mass transfer can also impede the diffusion of long chain products away from the catalyst after each cut. Product egress limitations could potentially confer unintentional processivity to catalyst operation, i.e. a tendency for the catalyst to repeatedly cut the same chain after an initial encounter. We formulate reaction–diffusion equations to quantify mass transfer effects on the co-reactant transport to the catalyst and the degree of serendipitous processivity. Results are developed for catalysts in stagnant or stirred melts, with simple expressions involving Damkohler, Peclet, and Sherwood numbers, i.e. dimensionless combinations of rate constants, catalyst particle size, polymer diffusivities, and shear rates (where applicable). In conclusion, we estimate the impact of these effects for a spherical core–shell catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Quantifying heavy quark transport coefficients with an improved transport model

We report that the heavy-flavor transport coefficients contain important information on the strong interaction at finite temperatures. The extraction of these numbers from experimental data requires dynamical modeling of heavy-flavor transport that is coupled to realistic medium evolution. Furthermore, meaningful extractions necessitate both a faithful implementation of the physical inputs to be tested and the quantification of model uncertainty. For these purposes, we have developed a partonic transport model LIDO. It has an improved treatment of in-medium parton bremsstrahlung, which has been calibrated to theoretical calculations in a simple medium to reduce modeling uncertainty. Regarding the interaction between heavy quark and the medium, few-body perturbative scatterings are applied to large-momentum transfer (q) processes, while a diffusion equation models the dynamics of small-q processes. Such a separation restricts the explicit use of medium quasi-particles to large-q processes only. Another advantage is that deviations from the leading-order probe-medium coupling can be parametrized as an additional contribution to the diffusion constant. The heavy quark transport coefficients are then extracted with uncertainty estimation from a Bayesian analysis including both the RHIC and the LHC data. The results are found to be consistent with earlier extraction of the light-quark transport coefficients at high momentum and be comparable with lattice calculations of the heavy-flavor diffusion constant in the static limit at low momentum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1989

Radial diffusion and losses of energetic protons in the 5 to 12 R(S) region of Saturn's magnetosphere

Phase space density profiles for nearly equatorial mirroring energetic protons, derived from Pioneer 11 measurements during the 1979 Saturn encounter, were analyzed using solutions of the time-averaged radial diffusion equation in a dipolar planetary magnetic field. Then, several loss models were considered, ranging from a model that takes into account satellite absorption only to the one that accounts for satellite plus ring-E absorption plus added distributed losses, and the corresponding form of the time-averaged radial diffusion coefficient was determined for each case by a minimum-variance fit to the data-derived phase space densiy profiles. The model comparisons clearly indicated the need for distributed losses, in addition to satellite absorption, in order to explain the smooth decline of the experimental energetic proton phase space density profiles in the 5-12-Saturn radius region of Saturn's magnetosphere.

Hood, L. L.↗

NASA NTRS1985

The modulation features of the long-period cosmic ray variations in connection with the sign change of the general magnetic field of the Sun

On the basis of the model and experimental investigations, the spatial distribution of cosmic ray anisotropy for the different epochs of solar activity is studied. A solution is offered to the anisotropic diffusion equation with regard to the electromagnetic conditions for the periods of minimum and maximum solar activity and cosmic ray particle drift in a regular interplanetary magnetic field. It is shown that the long period changes amplitude and phase of the diurnal variations of cosmic rays is limited not only by convection and diffusion of particles but also by the drift effect before and after the sing change of the general magnetic field of the Sun. The calculated model is compared with the results obtained on the basis of an analysis of the experimental data from the neutron super monitor station, and it is shown that for the periods when the lines of magnetic force of the Sun come from the Northern Hemisphere the phase of the first harmonic diurnal variation is shifted forwards to an earlier time.

Iskra, K.↗

NASA NTRS1997

Adsorption and solvation of ethanol at the water liquid-vapor interface: a molecular dynamics study

The free energy profiles of methanol and ethanol at the water liquid-vapor interface at 310K were calculated using molecular dynamics computer simulations. Both alcohols exhibit a pronounced free energy minimum at the interface and, therefore, have positive adsorption at this interface. The surface excess was computed from the Gibbs adsorption isotherm and was found to be in good agreement with experimental results. Neither compound exhibits a free energy barrier between the bulk and the surface adsorbed state. Scattering calculations of ethanol molecules from a gas phase thermal distribution indicate that the mass accommodation coefficient is 0.98, and the molecules become thermalized within 10 ps of striking the interface. It was determined that the formation of the solvation structure around the ethanol molecule at the interface is not the rate-determining step in its uptake into water droplets. The motion of an ethanol molecule in a water lamella was followed for 30 ns. The time evolution of the probability distribution of finding an ethanol molecule that was initially located at the interface is very well described by the diffusion equation on the free energy surface.

NASA Discipline Exobiology↗

NASA NTRS1985

Upwind relaxation algorithms for the Navier Stokes equations

The development of upwind relaxation algorithms for obtaining efficient steady-state solutions to the compressible Navier-Stokes equations is described. The method is second-order accurate spatially and naturally disipative, using third-order flux splitting of the pressure and convective terms and second-order central differencing for shear and heat flux terms. A line Gauss-Seidel relaxation approach, shown to be unconditionally stable for model convection and diffusion equations, is used. The algorithm is demonstrated for several flows using the thin-layer form of the equations, including the problem of shock-induced separation over a flat plate.

Thomas, J. L.↗

NASA NTRS1992

Approximate Solutions Of Equations Of Steady Diffusion

Rigorous analysis yields reliable criteria for "best-fit" functions. Improved "curve-fitting" method yields approximate solutions to differential equations of steady-state diffusion. Method applies to problems in which rates of diffusion depend linearly or nonlinearly on concentrations of diffusants, approximate solutions analytic or numerical, and boundary conditions of Dirichlet type, of Neumann type, or mixture of both types. Applied to equations for diffusion of charge carriers in semiconductors in which mobilities and lifetimes of charge carriers depend on concentrations.

Edmonds, Larry D.↗

NASA NTRS2003

Effect of Gravity Level on the Particle Shape and Size During Zeolite Crystal Growth

A microscopic diffusion model is developed to represent solute transport in the boundary layer of a growing zeolite crystal. This model is used to describe the effect of gravity on particle shape and solute distribution. Particle dynamics and crystal growth kinetics serve as the boundary conditions of flow and convection-diffusion equations. A statistical rate theory is used to obtain the rate of solute transport across the growing interface, which is expressed in terms of concentration and velocity of solute species. Microgravity can significantly decrease the solute velocity across the growing interface compared to its earth-based counterpart. The extent of this reduction highly depends on solute diffusion constant in solution. Under gravity, the flow towards the crystal enhances solute transport rate across the growing interface while the flow away from crystals reduces this rate, suggesting a non-uniform growth rate and thus an elliptic final shape. However, microgravity can significantly reduce the influence of flow and obtain a final product with perfect spherical shape. The model predictions compare favorably with the data of space experiment of zeolites grown in space.

Song, Hong-Wei↗

DOE OSTI2022

Dynamical chemistry: non-equilibrium effective actions for reactive fluids

Abstract We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved—or to account for chemical reactions, non-conserved—currents to local-equilibrium parameters. The second method involves a higher-brow approach in which we attack the same problem from the perspective of non-equilibrium effective field theory (EFT). Non-equilibrium effective actions are defined using the in–in formalism on the Schwinger–Keldysh contour and are therefore capable of describing thermal fluctuations and dissipation as well as quantum effects. The non-equilibrium EFT approach is especially powerful as all terms in the action are fully specified by the symmetries of the system; in particular the second law of thermodynamics does not need to be included by hand, but is instead derived from the action itself. We find that the equations of motion generated by both methods agree, but the EFT approach yields certain advantages. To demonstrate some of these advantages we construct a quadratic action that is valid to very small distance scales—much smaller than the scales at which ordinary hydrodynamic theories break down. Such an action captures the full thermodynamic and quantum behavior of reactions and diffusion at quadratic order. Finally, taking the low-frequency and low-wavenumber limit, we reproduce the linearized version of the well-known reaction–diffusion equations as a final coherence check.

Mechanics↗

NASA NTRS1998

Algebraic Nonoverlapping Domain Decomposition Methods for Stabilized FEM and FV Discretizations

We consider preconditioning methods for convection dominated fluid flow problems based on a nonoverlapping Schur complement domain decomposition procedure for arbitrary triangulated domains. The triangulation is first partitioned into a number of subdomains and interfaces which induce a natural 2 x 2 partitioning of the p.d.e. discretization matrix. We view the Schur complement induced by this partitioning as an algebraically derived coarse space approximation. This avoids the known difficulties associated with the direct formation of an effective coarse discretization for advection dominated equations. By considering various approximations of the block factorization of the 2 x 2 system, we have developed a family of robust preconditioning techniques. A computer code based on these ideas has been developed and tested on the IBM SP2 using MPI message passing protocol. A number of 2-D CFD calculations will be presented for both scalar advection-diffusion equations and the Euler equations discretized using stabilized finite element and finite volume methods. These results show very good scalability of the preconditioner for various discretizations as the number of processors is increased while the number of degrees of freedom per processor is fixed.

Barth, Timothy J.↗

NASA NTRS1991

Asynchronous, macrotasked relaxation strategies for the solution of viscous, hypersonic flows

A point-implicit, asynchronous macrotasked relaxation of the steady, thin-layer, Navier-Stokes equations is presented. The method employs multidirectional, single-level storage Gauss-Seidel relaxation sweeps, which effectively communicate perturbations across the entire domain in 2n sweeps, where n is the dimension of the domain. In order to enhance convergence the application of relaxation factors to specific components of the Jacobian is examined using a stability analysis of the advection and diffusion equations. Attention is also given to the complications associated with asynchronous multitasking. Solutions are generated for hypersonic flows over blunt bodies in two and three dimensions with chemical reactions, utilizing single-tasked and multitasked relaxation strategies.

Gnoffo, Peter A.↗

DOE OSTI2017

Harmonic statistics

The exponential, the normal, and the Poisson statistical laws are of major importance due to their universality. Harmonic statistics are as universal as the three aforementioned laws, but yet they fall short in their ‘public relations’ for the following reason: the full scope of harmonic statistics cannot be described in terms of a statistical law. In this paper we describe harmonic statistics, in their full scope, via an object termed harmonic Poisson process: a Poisson process, over the positive half-line, with a harmonic intensity. The paper reviews the harmonic Poisson process, investigates its properties, and presents the connections of this object to an assortment of topics: uniform statistics, scale invariance, random multiplicative perturbations, Pareto and inverse-Pareto statistics, exponential growth and exponential decay, power-law renormalization, convergence and domains of attraction, the Langevin equation, diffusions, Benford’s law, and 1/f noise. - Highlights: • Harmonic statistics are described and reviewed in detail. • Connections to various statistical laws are established. • Connections to perturbation, renormalization and dynamics are established.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗