Symmetric systems with semisimple structure algebra: The quaternionic case
Linear systems over the quaternions is discussed. The theory of real, semisimple symmetric systems is outlined.
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Linear systems over the quaternions is discussed. The theory of real, semisimple symmetric systems is outlined.
A new spinor formulation of rotational dynamics is developed. A general theorem is established reducing the theory of the symmetric top to that of the spherical top. The classical problems of Lagrange and Poinsot are treated in detail, along with a modern application to the theory of magnetic resonance.
Most geometric modeling systems use either polynomial or rational functions to represent geometry. In such systems most computational problems can be formulated as systems of polynomials in one or more variables. Classical elimination theory can be used to solve such systems. Here Cayley's method of elimination is summarized and it is shown how it can best be used to solve the curve/curve intersection problem. Cayley's method was found to be a more straightforward approach. Furthermore, it is computationally simpler, since the elements of the Cayley matrix are one variable instead of two variable polynomials. Researchers implemented and tested both methods and found Cayley's to be more efficient. Six pairs of curves, representing mixtures of lines, circles, and cubic arcs were used. Several examples had multiple intersection points. For all six cases Cayley's required less CPU time than the other method. The average time ratio of method 1 to method 2 was 3.13:1, the least difference was 2.33:1, and the most dramatic was 6.25:1. Both of the above methods can be extended to solve the surface/surface intersection problem.
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Finite difference methods are more successful if the accompanying grid has lines which are smooth and nearly orthogonal. The development of an algorithm which produces such a grid when given the boundary description. Topological considerations in structuring the grid generation mapping are discussed. The concept of the degree of a mapping and how it can be used to determine what requirements are necessary if a mapping is to produce a suitable grid is examined. The grid generation algorithm uses a mapping composed of bicubic B-splines. Boundary coefficients are chosen so that the splines produce Schoenberg's variation diminishing spline approximation to the boundary. Interior coefficients are initially chosen to give a variation diminishing approximation to the transfinite bilinear interpolant of the function mapping the boundary of the unit square onto the boundary grid. The practicality of optimizing the grid by minimizing a functional involving the Jacobian of the grid generation mapping at each interior grid point and the dot product of vectors tangent to the grid lines is investigated. Grids generated by using the algorithm are presented.
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Two iterative methods are considered, Richardson's method and a general second order method. For both methods, a variant of the method is derived for which only even numbered iterates are computed. The variant is called a leapfrog method. Comparisons between the conventional form of the methods and the leapfrog form are made under the assumption that the number of unknowns is large. In the case of Richardson's method, it is possible to express the final iterate in terms of only the initial approximation, a variant of the iteration called the grand-leap method. In the case of the grand-leap variant, a set of parameters is required. An algorithm is presented to compute these parameters that is related to algorithms to compute the weights and abscissas for Gaussian quadrature. General algorithms to implement the leapfrog and grand-leap methods are presented. Algorithms for the important special case of the Chebyshev method are also given.
This paper presents a very simple and effective computational procedure, FASTWO, for generating patched composite finite difference grids in 2-D for any geometry. Major components of the interactive graphics based method that is closely akin to and borrows many tools from transfinite interpolation are highlighted. Several grids produced by FASTWO are shown to illustrate its powerful capability. Comments about extending the methodology to 3-D are also given.
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The quantum mechanical problem of reactive or nonreactive scattering of atoms and molecules is formulated in terms of square-integrable basis sets with variational expressions for the reactance matrix. Several formulations involving expansions of the wave function (the Schwinger variational principle) or amplitude density (a generalization of the Newton variational principle), single-channel or multichannel distortion potentials, and primitive or contracted basis functions are presented and tested. The test results, for inelastic and reactive atom-diatom collisions, suggest that the methods may be useful for a variety of collision calculations and may allow the accurate quantal treatment of systems for which other available methods would be prohibitively expensive.
Direct numerical simulations of the unsteady incompressible Navier-Stokes equations have been performed in order to investigate the behavior of passive-scalar fields resulting from mean scalar gradients in each of three orthogonal directions in homogeneous turbulent shear flow. For all orientations of the mean scalar gradient, the sum of the pressure-scalar gradient and velocity gradient-scalar gradient terms in the turbulent scalar flux balance equation are found to be approximately aligned with the scalar flux vector itself. The simulation results are used to obtain dimensionless model coefficients as a function of the turbulence Reynolds and Peclet numbers.
The computational steps in calculating quantum mechanical reactive scattering amplitudes by the L2 generalized Newton variational principle are discussed with emphasis on computational strategies and recent improvements that make the calculations more efficient. Special emphasis is placed on quadrature techniques, storage management strategies, use of symmetry, and boundary conditions. It is concluded that an efficient implementation of these procedures provides a powerful algorithm for the accurate solution of the Schroedinger equation for rearrangements.