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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
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DOE OSTI2016

A difference-equation formalism for the nodal domains of separable billiards

Recently, the nodal domain counts of planar, integrable billiards with Dirichlet boundary conditions were shown to satisfy certain difference equations in Samajdar and Jain (2014). The exact solutions of these equations give the number of domains explicitly. For complete generality, we demonstrate this novel formulation for three additional separable systems and thus extend the statement to all integrable billiards.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Boundaries without boundaries

Starting with a quantum particle on a closed manifold without boundary, we consider the process of generating boundaries by modding out by a group action with fixed points, and we study the emergent quantum dynamics on the quotient manifold. As an illustrative example, we consider a free nonrelativistic quantum particle on the circle and generate the interval via parity reduction. A free particle with Neumann and Dirichlet boundary conditions on the interval is obtained, and, by changing the metric near the boundary, Robin boundary conditions can also be accommodated. We also indicate a possible method of generating non-local boundary conditions. Then, we explore an alternative generation mechanism which makes use of a folding procedure and is applicable to a generic Hamiltonian through the emergence of an ancillary spin degree of freedom.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Simulation of confined magnetohydrodynamic flows with Dirichlet boundary conditions using a pseudo-spectral method with volume penalization

A volume penalization approach to simulate magnetohydrodynamic (MHD) flows in confined domains is presented. Here the incompressible visco-resistive MHD equations are solved using parallel pseudo-spectral solvers in Cartesian geometries. The volume penalization technique is an immersed boundary method which is characterized by a high flexibility for the geometry of the considered flow. In the present case, it allows to use other than periodic boundary conditions in a Fourier pseudo-spectral approach. The numerical method is validated and its convergence is assessed for two- and three-dimensional hydrodynamic (HD) and MHD flows, by comparing the numerical results with results from literature and analytical solutions. The test cases considered are two-dimensional Taylor–Couette flow, the z-pinch configuration, three dimensional Orszag–Tang flow, Ohmic-decay in a periodic cylinder, three-dimensional Taylor–Couette flow with and without axial magnetic field and three-dimensional Hartmann-instabilities in a cylinder with an imposed helical magnetic field. Finally, we present a magnetohydrodynamic flow simulation in toroidal geometry with non-symmetric cross section and imposing a helical magnetic field to illustrate the potential of the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Accurate derivative evaluation for any Grad–Shafranov solver

We present a numerical scheme that can be combined with any fixed boundary finite element based Poisson or Grad–Shafranov solver to compute the first and second partial derivatives of the solution to these equations with the same order of convergence as the solution itself. At the heart of our scheme is an efficient and accurate computation of the Dirichlet to Neumann map through the evaluation of a singular volume integral and the solution to a Fredholm integral equation of the second kind. Our numerical method is particularly useful for magnetic confinement fusion simulations, since it allows the evaluation of quantities such as the magnetic field, the parallel current density and the magnetic curvature with much higher accuracy than has been previously feasible on the affordable coarse grids that are usually implemented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Atom-partitioned multipole expansions for electrostatic potential boundary conditions

Applications such as grid-based real-space density functional theory (DFT) use the Poisson equation to compute electrostatics. However, the expected long tail of the electrostatic potential requires either the use of a large and costly outer domain or Dirichlet boundary conditions estimated via multipole expansion. We find that the oft-used single-center spherical multipole expansion is only appropriate for isotropic mesh domains such as spheres and cubes. In this work, we introduce a method suitable for high aspect ratio meshes whereby the charge density is partitioned into atomic domains and multipoles are computed for each domain. While this approach is moderately more expensive than a single-center expansion, it is numerically stable and still a small fraction of the overall cost of a DFT calculation. The net result is that when high aspect ratio systems are being studied, form-fitted meshes can now be used in lieu of cubic meshes to gain computational speedup.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

On the use of reverse Brownian motion to accelerate hybrid simulations

Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategies for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Spectral properties of the Dirichlet operator Σ{sub i=1}{sup d}(−∂{sub i}{sup 2}){sup s} on domains in d-dimensional Euclidean space

In this article, we investigate the distribution of eigenvalues of the Dirichlet pseudo-differential operator Σ{sub i=1}{sup d}(−∂{sub i}{sup 2}){sup s}, s∈(0,1] on an open and bounded subdomain Ω⊂R{sup d} and predict bounds on the sum of the first N eigenvalues, the counting function, the Riesz means, and the trace of the heat kernel. Moreover, utilizing the connection of coherent states to the semi-classical approach of quantum mechanics, we determine the sum for moments of eigenvalues of the associated Schrödinger operator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A short proof of Weyl's law for fractional differential operators

We study spectral asymptotics for a large class of differential operators on an open subset of R{sup d} with finite volume. This class includes the Dirichlet Laplacian, the fractional Laplacian, and also fractional differential operators with non-homogeneous symbols. Based on a sharp estimate for the sum of the eigenvalues we establish the first term of the semiclassical asymptotics. This generalizes Weyl's law for the Laplace operator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A family of random walks with generalized Dirichlet steps

We analyze a class of continuous time random walks in R{sup d},d≥2, with uniformly distributed directions. The steps performed by these processes are distributed according to a generalized Dirichlet law. Given the number of changes of orientation, we provide the analytic form of the probability density function of the position (X{sub {sub d}}(t),t>0) reached, at time t > 0, by the random motion. In particular, we analyze the case of random walks with two steps. In general, it is a hard task to obtain the explicit probability distributions for the process (X{sub {sub d}}(t),t>0). Nevertheless, for suitable values for the basic parameters of the generalized Dirichlet probability distribution, we are able to derive the explicit conditional density functions of (X{sub {sub d}}(t),t>0). Furthermore, in some cases, by exploiting the fractional Poisson process, the unconditional probability distributions of the random walk are obtained. This paper extends in a more general setting, the random walks with Dirichlet displacements introduced in some previous papers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Velocity boundary conditions at a tokamak resistive wall

Velocity boundary conditions appropriate for magnetohydrodynamic simulations have been controversial recently. A comparison of numerical simulations of sideways wall force in disruptions is presented for Dirichlet, Neumann, Robin, and DEBS boundary conditions. It is shown that all the boundary conditions give qualitatively similar results. It is shown that Dirichlet boundary conditions are valid in the small Larmor radius limit of electromagnetic sheath boundary conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Sphere-plate Casimir interaction in (D + 1)-dimensional spacetime

In this paper, we derive the formula for the Casimir interaction energy between a sphere and a plate in (D + 1)-dimensional Minkowski spacetime. It is assumed that the scalar field satisfies the Dirichlet or Neumann boundary conditions on the sphere and the plate. As in the D = 3 case, the formula is of TGTG type. One of our main contributions is deriving the translation matrices which express the change of bases between plane waves and spherical waves for general D. Using orthogonality of Gegenbauer polynomials, it turns out that the final TGTG formula for the Casimir interaction energy can be simplified to one that is similar to the D = 3 case. To illustrate the application of the formula, both large separation and small separation asymptotic behaviors of the Casimir interaction energy are computed. The large separation leading term is proportional to L{sup −D+1} if the sphere is imposed with Dirichlet boundary condition, and to L{sup −D−1} if the sphere is imposed with Neumann boundary condition, where L is distance from the center of the sphere to the plane. For the small separation asymptotic behavior, it is shown that the leading term is equal to the one obtained using proximity force approximation. The next-to-leading order term is also computed using perturbation method. It is shown that when the space dimension D is larger than 5, the next-to-leading order has sign opposite to the leading order term. Moreover, the ratio of the next-to-leading order term to the leading order term is linear in D, indicating a larger correction at higher dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Scattering through a straight quantum waveguide with combined boundary conditions

Scattering through a straight two-dimensional quantum waveguide R×(0,d) with Dirichlet boundary conditions on (R{sub −}{sup *}×(y=0))∪(R{sub +}{sup *}×(y=d)) and Neumann boundary condition on (R{sub −}{sup *}×(y=d))∪(R{sub +}{sup *}×(y=0)) is considered using stationary scattering theory. The existence of a matching conditions solution at x = 0 is proved. The use of stationary scattering theory is justified showing its relation to the wave packets motion. As an illustration, the matching conditions are also solved numerically and the transition probabilities are shown.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The influence of current collectors on Tayler instability and electro-vortex flows in liquid metal batteries

The Tayler instability (TI) is a kink-type flow instability which occurs when the electrical current through a conducting fluid exceeds a certain critical value. Originally studied in the astrophysical context, the instability was recently discussed as a possible limiting factor for the upward scalability of liquid metal batteries. In this paper, we continue our efforts to simulate this instability for liquid metals within the framework of an integro-differential equation approach. The original solver is enhanced by multi-domain support with Dirichlet-Neumann partitioning for the static boundaries. Particular focus is laid on the detailed influence of the axial electrical boundary conditions on the characteristic features of the Tayler instability and, second, on the occurrence of electro-vortex flows and their relevance for liquid metal batteries. Electro-vortex flows might pose a larger risk to the integrity of the battery than the TI.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Semiclassical limits of quantum partition functions on infinite graphs

We prove that if H denotes the operator corresponding to the canonical Dirichlet form on a possibly locally infinite weighted graph (X, b, m), and if v : X → ℝ is such that H + v/ħ is well-defined as a form sum for all ħ > 0, then the quantum partition function tr(e{sup −βħ(H+v/ħ)}) converges to ∑{sub x∈X}e{sup −βv(x)} as ħ → 0 +, for all β > 0, regardless of the fact whether e{sup −βv} is a priori summable or not. This fact can be interpreted as a semiclassical limit, and it allows geometric Weyl-type convergence results. We also prove natural generalizations of this semiclassical limit to a large class of covariant Schrödinger operators that act on sections in Hermitian vector bundle over (X, m, b), a result that particularly applies to magnetic Schrödinger operators that are defined on (X, m, b)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Stochastic D-bifurcation for a damped sine-Gordon equation with noise

We investigate the stochastic bifurcation of a damped sine-Gordon equation with Dirichlet boundary conditions under the influence of multiplicative Gaussian white noise. Introducing a slow time scale, we derive the amplitude equations near the trivial solution by multiscale analysis. And the stationary probability density functions are formulated analytically using the stochastic averaging of energy envelope. The numerical calculations show that the system undergoes a stochastic D-bifurcation of energy envelope from a delta measure to new stationary measures when the control parameter crosses a critical point.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Quasi-periodic solutions of nonlinear beam equation with prescribed frequencies

Consider the one dimensional nonlinear beam equation u{sub tt} + u{sub xxxx} + mu + u{sup 3} = 0 under Dirichlet boundary conditions. We show that for any m > 0 but a set of small Lebesgue measure, the above equation admits a family of small-amplitude quasi-periodic solutions with n-dimensional Diophantine frequencies. These Diophantine frequencies are the small dilation of a prescribed Diophantine vector. The proofs are based on an infinite dimensional Kolmogorov-Arnold-Moser iteration procedure and a partial Birkhoff normal form. .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

An efficient reconstruction algorithm for differential phase-contrast tomographic images from a limited number of views

The main focus of this paper is reconstruction of tomographic phase-contrast image from a set of projections. We propose an efficient reconstruction algorithm for differential phase-contrast computed tomography that can considerably reduce the number of projections required for reconstruction. The key result underlying this research is a projection theorem that states that the second derivative of the projection set is linearly related to the Laplacian of the tomographic image. The proposed algorithm first reconstructs the Laplacian image of the phase-shift distribution from the second-derivative of the projections using total variation regularization. The second step is to obtain the phase-shift distribution by solving a Poisson equation whose source is the Laplacian image previously reconstructed under the Dirichlet condition. We demonstrate the efficacy of this algorithm using both synthetically generated simulation data and projection data acquired experimentally at a synchrotron. The experimental phase data were acquired from a human coronary artery specimen using dark-field-imaging optics pioneered by our group. Our results demonstrate that the proposed algorithm can reduce the number of projections to approximately 33% as compared with the conventional filtered backprojection method, without any detrimental effect on the image quality.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗