7,461 research outputs found
Block Circulant and Toeplitz Structures in the Linearized Hartree–Fock Equation on Finite Lattices: Tensor Approach
This paper introduces and analyses the new grid-based tensor approach to
approximate solution of the elliptic eigenvalue problem for the 3D
lattice-structured systems. We consider the linearized Hartree-Fock equation
over a spatial lattice for both periodic and
non-periodic problem setting, discretized in the localized Gaussian-type
orbitals basis. In the periodic case, the Galerkin system matrix obeys a
three-level block-circulant structure that allows the FFT-based
diagonalization, while for the finite extended systems in a box (Dirichlet
boundary conditions) we arrive at the perturbed block-Toeplitz representation
providing fast matrix-vector multiplication and low storage size. The proposed
grid-based tensor techniques manifest the twofold benefits: (a) the entries of
the Fock matrix are computed by 1D operations using low-rank tensors
represented on a 3D grid, (b) in the periodic case the low-rank tensor
structure in the diagonal blocks of the Fock matrix in the Fourier space
reduces the conventional 3D FFT to the product of 1D FFTs. Lattice type systems
in a box with Dirichlet boundary conditions are treated numerically by our
previous tensor solver for single molecules, which makes possible calculations
on rather large lattices due to reduced numerical
cost for 3D problems. The numerical simulations for both box-type and periodic
lattice chain in a 3D rectangular "tube" with up to
several hundred confirm the theoretical complexity bounds for the
block-structured eigenvalue solvers in the limit of large .Comment: 30 pages, 12 figures. arXiv admin note: substantial text overlap with
arXiv:1408.383
Generalized Debye Sources Based EFIE Solver on Subdivision Surfaces
The electric field integral equation is a well known workhorse for obtaining
fields scattered by a perfect electric conducting (PEC) object. As a result,
the nuances and challenges of solving this equation have been examined for a
while. Two recent papers motivate the effort presented in this paper. Unlike
traditional work that uses equivalent currents defined on surfaces, recent
research proposes a technique that results in well conditioned systems by
employing generalized Debye sources (GDS) as unknowns. In a complementary
effort, some of us developed a method that exploits the same representation for
both the geometry (subdivision surface representations) and functions defined
on the geometry, also known as isogeometric analysis (IGA). The challenge in
generalizing GDS method to a discretized geometry is the complexity of the
intermediate operators. However, thanks to our earlier work on subdivision
surfaces, the additional smoothness of geometric representation permits
discretizing these intermediate operations. In this paper, we employ both ideas
to present a well conditioned GDS-EFIE. Here, the intermediate surface
Laplacian is well discretized by using subdivision basis. Likewise, using
subdivision basis to represent the sources, results in an efficient and
accurate IGA framework. Numerous results are presented to demonstrate the
efficacy of the approach
Lateral conduction effects on heat-transfer data obtained with the phase-change paint technique
A computerized tool, CAPE, (Conduction Analysis Program using Eigenvalues) has been developed to account for lateral heat conduction in wind tunnel models in the data reduction of the phase-change paint technique. The tool also accounts for the effects of finite thickness (thin wings) and surface curvature. A special reduction procedure using just one time of melt is also possible on leading edges. A novel iterative numerical scheme was used, with discretized spatial coordinates but analytic integration in time, to solve the inverse conduction problem involved in the data reduction. A yes-no chart is provided which tells the test engineer when various corrections are large enough so that CAPE should be used. The accuracy of the phase-change paint technique in the presence of finite thickness and lateral conduction is also investigated
Development of an unstructured solution adaptive method for the quasi-three-dimensional Euler and Navier-Stokes equations
A general solution adaptive scheme based on a remeshing technique is developed for solving the two-dimensional and quasi-three-dimensional Euler and Favre-averaged Navier-Stokes equations. The numerical scheme is formulated on an unstructured triangular mesh utilizing an edge-based pointer system which defines the edge connectivity of the mesh structure. Jameson's four-stage hybrid Runge-Kutta scheme is used to march the solution in time. The convergence rate is enhanced through the use of local time stepping and implicit residual averaging. As the solution evolves, the mesh is regenerated adaptively using flow field information. Mesh adaptation parameters are evaluated such that an estimated local numerical error is equally distributed over the whole domain. For inviscid flows, the present approach generates a complete unstructured triangular mesh using the advancing front method. For turbulent flows, the approach combines a local highly stretched structured triangular mesh in the boundary layer region with an unstructured mesh in the remaining regions to efficiently resolve the important flow features. One-equation and two-equation turbulence models are incorporated into the present unstructured approach. Results are presented for a wide range of flow problems including two-dimensional multi-element airfoils, two-dimensional cascades, and quasi-three-dimensional cascades. This approach is shown to gain flow resolution in the refined regions while achieving a great reduction in the computational effort and storage requirements since solution points are not wasted in regions where they are not required
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