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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Computational and analytical comparison of flux discretizations for the semiconductor device equations beyond Boltzmann statistics

We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter–Gummel scheme to non-Boltzmann (e.g. Fermi–Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Trust-region based return mapping algorithm for implicit integration of elastic-plastic constitutive models

A new method for the solution of the non-linear equations forming the core of constitutive model integration is proposed. Specifically, the trust-region method that has been developed in the numerical optimization community is successfully modified for use in implicit integration of elastic-plastic models. Although attention here is restricted to these rate-independent formulations, the proposed approach holds substantial promise for adoption with models incorporating complex physics, multiple inelastic mechanisms, and/or multiphysics. As a first step, the non-quadratic Hosford yield surface is used as a representative case to investigate computationally challenging constitutive models. The theory and implementation are presented, discussed, and compared to other common integration schemes. Multiple boundary value problems are studied and used to verify the proposed algorithm and demonstrate the capabilities of this approach over more common methodologies. Robustness and speed are then investigated and compared to existing algorithms. As a result through these efforts, it is shown that the utilization of a trust-region approach leads to superior performance versus a traditional closest-point projection Newton-Raphson method and comparable speed and robustness to a line search augmented scheme.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Nonstationary Problem of Complex Heat Transfer in a System of Semitransparent Bodies with Boundary-Value Conditions of Diffuse Reflection and Refraction of Radiation

We consider a nonstationary initial boundary-value problem describing complex (radiative-conductive) heat transfer in a system of semitransparent bodies. To describe radiation propagation, we use the radiation transfer equation with boundary-value conditions of diffuse reflection and refraction of radiation. We take into account that the radiation intensity and optical properties of bodies depend on the radiation frequency. The unique solvability of a weak solution is established. The comparison theorem is proved. A priori estimates of a weak solution as well as its regularity are obtained.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Numerical solution of the electron transport equation in the upper atmosphere

A new approach for solving the electron transport equation in the upper atmosphere is derived. The problem is a very stiff boundary value problem, and to obtain an accurate numerical solution, matrix factorizations are used to decouple the fast and slow modes. A stable finite difference method is applied to each mode. This solver is applied to a simplified problem for which an exact solution exists using various versions of the boundary conditions that might arise in a natural auroral display. The numerical and exact solutions are found to agree with each other, verifying the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Tearing instability in a tokamak with a noncircular cross section

Using a straight-column model to describe tokamak plasma with a noncircular cross section, it is shown how to (i) find the boundary of tearing instability from the condition of existence of a magnetohydrodynamic plasma equilibrium different from that of a straight cylinder by solving a two-dimensional linear boundary-value problem with a second-order equation with respect to the flux coordinate and (ii) find the spatial structure of the tearing mode and the corresponding effective Δ' when there is only one resonance magnetic surface in the plasma for a given axial wavenumber by solving some kind of a boundary-value problem for the perturbation. The proposed approach is illustrated by numerical calculations for the case of an elliptical cross section as an example.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Calculation of Hydraulic Conductivity for a Porous Medium with Staggered Array of Solid Grains - 20087

For a porous medium with periodic array of solid grains. the flow of an incompressible viscous fluid in the pore space is considered with an aim of calculating the permeability of the medium. The solid grains are of ellipsoidal shape. For this purpose, a unit-cell boundary-value problem (Stokes problem) is solved numerically. With the assumption of periodicity of the medium structure and the fluid properties (in fact constant), the flow field and pressure distributions are determined numerically with inertial effects ignored. By applying the theory of homogenization to the viscous flow through pore space, a microscale boundary-value problem is defined. After solving the problem, the permeability is determined by taking the micro-cell average of the velocity components, Various porous structures are chosen to allow a wide range of porosity values. The permeability increases mildly for porosity values in the lower range. But it increases sharply for porosity values in the upper range of the porosity. The permeability of the present study agrees with the Kozeny-Carman relation excellently for smaller porosity. Certain discrepancy between the calculated permeability in this study and the Kozeny-Carman relation appears and increases with porosity for larger porosity. It is believed that the discrepancy is due to the replacement of the pores by a bundle of capillaries, which is unrealistic, in the Kozeny-Carman relation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Girsanov's transformation based variance reduced Monte Carlo simulation schemes for reliability estimation in nonlinear stochastic dynamics

The study considers the problem of simulation based time variant reliability analysis of nonlinear randomly excited dynamical systems. Attention is focused on importance sampling strategies based on the application of Girsanov's transformation method. Controls which minimize the distance function, as in the first order reliability method (FORM), are shown to minimize a bound on the sampling variance of the estimator for the probability of failure. Two schemes based on the application of calculus of variations for selecting control signals are proposed: the first obtains the control force as the solution of a two-point nonlinear boundary value problem, and, the second explores the application of the Volterra series in characterizing the controls. The relative merits of these schemes, vis-à-vis the method based on ideas from the FORM, are discussed. Illustrative examples, involving archetypal single degree of freedom (dof) nonlinear oscillators, and a multi-degree of freedom nonlinear dynamical system, are presented. The credentials of the proposed procedures are established by comparing the solutions with pertinent results from direct Monte Carlo simulations. - Highlights: • The distance minimizing control forces minimize a bound on the sampling variance. • Establishing Girsanov controls via solution of a two-point boundary value problem. • Girsanov controls via Volterra's series representation for the transfer functions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Numerical similarity solution for a variable coefficient K(m, n) equation

A technique for finding numerical similarity solutions to an initial boundary value problem (IBVP) for generalized K(m, n) equations is described. The equation under consideration is nonlinear and has variable coefficients. The original problem is transformed with the aid of Lie symmetries to an initial value problem (IVP) for a nonlinear third-order ordinary differential equation. The existence and uniqueness of the solution are examined, and the problem is consequently solved with the aid of a finite-difference scheme for various values of the governing parameters. In lieu of an exact symbolic solution, the scheme is validated by comparing the numerical solutions with the approximate analytic solutions obtained with the aid of the method of successive approximations in their region of validity. The accuracy, efficiency, and consistency of the scheme are demonstrated. Numerical solutions to the original initial boundary value problem are constructed for selected parameter values with the aid of the transforms. The qualitative behavior of the solutions as a function of the governing parameters is analyzed, and it is found that the examined IBVPs for generalized K(m, n) equations with variable coefficients that are functions of time, do not admit solitary wave or compacton solutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Source term method for binary neutron stars initial data

The initial condition problem for a binary neutron star system requires a Poisson equation solver for the velocity potential with a Neumann-like boundary condition on the surface of the star. Difficulties that arise in this boundary value problem are: (a) the boundary is not known a priori, but constitutes part of the solution of the problem; (b) various terms become singular at the boundary. In this work, we present a new method to solve the fluid Poisson equation for irrotational/spinning binary neutron stars. The advantage of the new method is that it does not require complex fluid surface fitted coordinates and it can be implemented in a Cartesian grid, which is a standard choice in numerical relativity calculations. This is accomplished by employing the source term method proposed by Towers, where the boundary condition is treated as a jump condition and is incorporated as additional source terms in the Poisson equation, which is then solved iteratively. The issue of singular terms caused by vanishing density on the surface is resolved with an additional separation that shifts the computation boundary to the interior of the star. We present two-dimensional tests to show the convergence of the source term method, and we further apply this solver to a realistic three-dimensional binary neutron star problem. By comparing our solution with the one coming from the initial data solver cocal, we demonstrate agreement to approximately 1%. We report our method can be used in other problems with non-smooth solutions like in magnetized neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Spectrum and Stabilization in Hyperbolic Problems

We study the connection between the stabilization of solutions of a mixed hyperbolic problem and spectral properties of the corresponding elliptic boundary value problem. We consider the first mixed problem for the wave equation in bounded and unbounded domains in ℝ{sup n}, determine the class of its energy solutions, and represent the solutions in terms of the Bochner–Stieltjes integral. We study how the spectrum of the elliptic operator affects the behavior of local energy of a solution and describe a method which allows us to study the stabilization of solutions with the help of estimates in the spectral parameter for solutions of the stationary problem on the upper half-plane.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Two-Dimensional Mixed Problem of Thermoelasticity for a Semistrip

We study the stress state of a semistrip with conditions of smooth contact imposed on one of its lateral surfaces and coupling conditions given on the other surface under the action of normal loading and temperature on the end face. The original problem is reduced to a one-dimensional vector boundary-value problem by the method of integral transformations. By using the tools of matrix differential calculus and Green matrix function, we reduce the obtained problem to a singular integral equation for the derivative of displacements on the end face of the semistrip and solve this equation by the method of orthogonal polynomials. We perform the numerical analysis of fields of displacements and stresses inside the semistrip and establish the zones of tensile stresses on the lateral face of the semistrip and the conditions of their formation.

42 ENGINEERING↗
DOE OSTI2018

Strong Solutions to Nonlinear Degenerate Fractional Order Evolution Equations

We obtain conditions for the existence and uniqueness of a strong solution to the initial problem for a degenerate evolution equation that is not solvable with respect to the fractional order derivative. The obtained results are used to study the initial- boundary value problem governing the fractional model of a viscoelastic Kelvin–Voigt fluid.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A Hybridizable Discontinuous Galerkin solver for the Grad–Shafranov equation

In axisymmetric fusion reactors, the equilibrium magnetic configuration can be expressed in terms of the solution to a semi-linear elliptic equation known as the Grad–Shafranov equation, the solution of which determines the poloidal component of the magnetic field. When the geometry of the confinement region is known, the problem becomes an interior Dirichlet boundary value problem. We propose a high order solver based on the Hybridizable Discontinuous Galerkin method. The resulting algorithm (1) provides high order of convergence for the flux function and its gradient, (2) incorporates a novel method for handling piecewise smooth geometries by extension from polygonal meshes, (3) can handle geometries with non-smooth boundaries and x-points, and (4) deals with the semi-linearity through an accelerated two-grid fixed-point iteration. The effectiveness of the algorithm is verified with computations for cases where analytic solutions are known on configurations similar to those of actual devices (ITER with single null and double null divertor, NSTX, ASDEX upgrade, and Field Reversed Configurations).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Control-Affine Schrödinger Bridge and Generalized Bohm Potential

From a stochastic control perspective, the Schrödinger bridge is a density-valued continuous curve parameterized by time that connects a given pair of initial and terminal probability densities via minimum effort controlled Brownian motion. The control-affine Schrödinger bridge extends this idea to a generic control-affine Itô diffusion, possibly with an additive state cost. Here, in this letter, we recast the necessary conditions of optimality for the control-affine Schrödinger bridge problem as a two point boundary value problem for a quantum mechanical Schrödinger PDE with complex potential. This complex-valued potential is a generalization of the real-valued Bohm potential in quantum mechanics. Our derived potential is akin to the optical potential in nuclear physics where the real part of the potential encodes elastic scattering (transmission of wave function), and the imaginary part encodes inelastic scattering (absorption of wave function). The key takeaway is that the process noise that drives the evolution of probability densities induces an absorbing medium in the evolution of wave function. These results make new connections between control theory and non-equilibrium statistical mechanics through the lens of quantum mechanics.

Markov processes↗
DOE OSTI2018

Smoothness in the Dini Space of a Single Layer Potential for a Parabolic System in the Plane

We prove estimates in the Dini space for the second order spatial derivative of a vector parabolic single layer potential. We obtain estimates for higher order derivatives of solutions to initial-boundary-value problems for one-dimensional parabolic systems with Dini-continuous coefficients in a curvilinear domain with nonsmooth lateral boundary.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Explicit Runge–Kutta Methods that Alleviate Order Reduction

Explicit Runge–Kutta (RK) methods are susceptible to a reduction in the observed order of convergence when applied to an initial boundary value problem with time-dependent boundary conditions. We study conditions on explicit RK methods that guarantee high order convergence for linear problems; we refer to these conditions as weak stage order conditions. We prove a general relationship between the method’s order, weak stage order, and number of stages. Furthermore, we derive explicit RK methods with high weak stage order and demonstrate, through numerical tests, that they avoid the order reduction phenomenon up to any order for linear problems and up to order three for nonlinear problems.

explicit Runge–Kutta↗