Now showing items 91-100 of 100
Computer Modelling of a Dynamical Water Molecule
(University of Texas at Arlington, 1995)
A model of a ground state water molecule is formulated dynamically and studied by computer simulations. The enigmatic 104.5° bond angle is approximated by introducing the effects of neighboring molecules in a crystaline ...
Computer Studies in Particle Modeling of Fluid Phenomena
(University of Texas at Arlington, 1984-02)
A new, numerical approach is developed for modeling fluid phenomena. Unlike the continuum and statistical mechanics approaches, it uses relatively small sets of quasi-molecular particles which interact in accordance with ...
Computer Simulation of a Dynamical Model of the Water Molecule
(University of Texas at Arlington, 1982-07)
A new computer-orlented theory for molecular dynamics is applied to modeling the water molecule. The dynamical equations are derived from molecular stability properties and from aspects of modern particle theory, especially ...
Computer Studies of a Semiclassical Model of the Water Molecule
(University of Texas at Arlington, 1993)
A semiclassical model of the water molecule is formulated in ground state as an eleven-body problem. The stiff system of dynamical, nonlinear, ordinary differential equations is solved numerically on a CRAY YMP ...
Computer Experiments for Molecular Motions and Chemical Bonding
(University of Texas at Arlington, 1995-12)
It is shown how to simulate first the ground state molecule H. The correct bond length, period, and electron cloud result. The method is then extended to ground state H2 and it is shown that only a new model of the chemical ...
Completely Conservative and Covariant Numerical Methodology for N-Body Problems With Distance-Dependent Potentials
(University of Texas at Arlington, 1992-01)
We consider a general class of N-body problems for arbitrary, distance-dependent potentials. Completely conservative, covariant numerical methodology is established for their solution and an example is provided in which ...
Numerical Solution of Free Surface, Porous Flow Problems
(University of Texas at Arlington, 1981-01)
In this paper an inexpensive, fast numerical method is developed for the approximate solution of general, free surface, porous flow problems. The method is so designed that the required numerical boundary conditions ...
Absolute Minimization by Supercomputer Computation
(University of Texas at Arlington, 1987)
Numerical methodology is developed for approximating the absolute minimum of a function or a functional. Only simplistic numerical techniques are introduced and explored. CRAY X—MP/24 computer examples are described and discussed.
Particle Modelling of Combustion
(University of Texas at Arlington, 1990)
Combustion is simulated by a molecular type model using classical molecular type interaction formulas. Supercomputer examples which emphasize turbulent motion are described and discussed.
Classical, Computer Studies of One-Electron and Two-Electron Atoms and Ions
(University of Texas of Arlington, 1991-06)
A geometrical, computer-oriented method is utilized to generate circular orbits of electrons in one-electron and two-electron atoms and ions. The radii of these orbits are defined to be the radii of the atoms or ions. Only ...