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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

On a Non-Reflecting Boundary Condition for Hyperbolic Conservation Laws

A non-reflecting boundary condition (NRBC) for practical computations in fluid dynamics and aeroacoustics is presented. The technique is based on the hyperbolicity of the Euler equation system and the first principle of plane (simple) wave propagation. The NRBC is simple and effective, provided the numerical scheme maintains locally a C(sup 1) continuous solution at the boundary. Several numerical examples in ID, 2D and 3D space are illustrated to demonstrate its robustness in practical computations.

Loh, Ching Y.↗
NASA NTRS1984

Kinematics of the CS method for the treatment of molecular collisions

The problem of the quantum treatment of nonreactive collisions of two simple molecules or of an atom and a molecule is considered mathematically. Kinematical structure theorems analogous to the Wigner-Eckart theorem for scalar operators are derived for the transition operator (T-operator) of a two-molecule system, where, in addition to the usual conservation laws, certain additional conservation laws are presumed satisfied in a collision. The additional conservation laws were examined in order to develop a testable approximation scheme (CS method) for the specification of the kinematics of a system of two rigid diatomic molecules. The rand p-helicity basis states for a two-rigid rotor system are defined and unitary transformations established between these and conventional bases. It is found that only questionable criteria exist for testing the on-the-energy-shell matrix of a T(energy) operator for the presence of properties of two of the additional conservation laws.

Hahne, G. E.↗
DOE OSTI2016

Optical spectroscopy of molecular junctions: Nonequilibrium Green’s functions perspective

We consider optical spectroscopy of molecular junctions from the quantum transport perspective when radiation field is quantized and optical response of the system is simulated as photon flux. Using exact expressions for photon and electronic fluxes derived within the nonequilibrium Green function (NEGF) methodology and utilizing fourth order diagrammatic perturbation theory (PT) in molecular coupling to radiation field, we perform simulations employing realistic parameters. Results of the simulations are compared to the bare PT which is usually employed in studies on nonlinear optical spectroscopy to classify optical processes. We show that the bare PT violates conservation laws, while flux conserving NEGF formulation mixes optical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Choice of velocity variables for complex flow computation

The issue of adopting the velocity components as dependent velocity variables for the Navier-Stokes flow computations is investigated. The viewpoint advocated is that a numerical algorithm should preferably honor both the physical conservation law in differential form and the geometric conservation law in discrete form. With the use of Cartesian velocity vector, the momentum equations in curvilinear coordinates can retain the full conservation-law form and satisfy the physical conservation laws. With the curvilinear velocity components, source terms appear in differential equations and hence the full conservation law form can not be retained. In discrete expressions, algorithms based on the Cartesian components can satisfy the geometric conservation-law form for convection terms but not for viscous terms; those based on the curvilinear components, on the other hand, cannot satisfy the geometric conservation-law form for either convection or viscous terms. Several flow solutions for domain with 90 and 360 degree turnings are presented to illustrate the issues of using the Cartesian velocity components and the staggered grid arrangement.

Shyy, W.↗
NASA NTRS1998

Discretization and Preconditioning Algorithms for the Euler and Navier-Stokes Equations on Unstructured Meshes

Chapter 1 briefly reviews several related topics associated with the symmetrization of systems of conservation laws and quasi-conservation laws: (1) Basic Entropy Symmetrization Theory; (2) Symmetrization and eigenvector scaling; (3) Symmetrization of the compressible Navier-Stokes equations; and (4) Symmetrization of the quasi-conservative form of the magnetohydrodynamic (MHD) equations. Chapter 2 describes one of the best known tools employed in the study of differential equations, the maximum principle: any function f(x) which satisfies the inequality f(double prime)>0 on the interval [a,b] attains its maximum value at one of the endpoints on the interval. Chapter three examines the upwind finite volume schemes for scalar and system conservation laws. The basic tasks in the upwind finite volume approach have already been presented: reconstruction, flux evaluation, and evolution. By far, the most difficult task in this process is the reconstruction step.

Bart, Timothy J.↗
NASA NTRS1990

Shock-layer bounds for a singularly perturbed equation

The size of the shock-layer governed by a conservation law is studied. The conservation law is a parabolic reaction-convection-diffusion equation with a small parameter multiplying the diffusion term and convex flux. Rigorous upper and lower bounding functions for the solution of the conservation law are established based on maximum-principle arguments. The bounding functions demonstrate that the size of the shock-layer is proportional to the parameter multiplying the diffusion term.

Scroggs, Jeffrey S.↗
DOE OSTI2014

Conservation properties and potential systems of vorticity-type equations

Partial differential equations of the form divN=0, N{sub t}+curl M=0 involving two vector functions in R{sup 3} depending on t, x, y, z appear in different physical contexts, including the vorticity formulation of fluid dynamics, magnetohydrodynamics (MHD) equations, and Maxwell's equations. It is shown that these equations possess an infinite family of local divergence-type conservation laws involving arbitrary functions of space and time. Moreover, it is demonstrated that the equations of interest have a rather special structure of a lower-degree (degree two) conservation law in R{sup 4}(t,x,y,z). The corresponding potential system has a clear physical meaning. For the Maxwell's equations, it gives rise to the scalar electric and the vector magnetic potentials; for the vorticity equations of fluid dynamics, the potentialization inverts the curl operator to yield the fluid dynamics equations in primitive variables; for MHD equations, the potential equations yield a generalization of the Galas-Bogoyavlenskij potential that describes magnetic surfaces of ideal MHD equilibria. The lower-degree conservation law is further shown to yield curl-type conservation laws and determined potential equations in certain lower-dimensional settings. Examples of new nonlocal conservation laws, including an infinite family of nonlocal material conservation laws of ideal time-dependent MHD equations in 2+1 dimensions, are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗