Now showing items 31-40 of 100
Semiclassical Modeling of the H2 Covalent Bond
(University of Texas at Arlington, 1985)
A semiclassical model is developed for the covalent bond of the H2 molecule. The model utilizes a classical analogue of electron pairing and requires an electron excitation mechanism. The computational technique used to ...
On the Error in Quasi-Quantum Mechanical Calculations
(University of Texas at Arlington, 1990-06)
A numerical simulation of the vibration of a ground state H2 molecule is made from a quasi-quantum mechanical point of view, that is, energy has been determined by quantum mechanics and trajectories determined by ...
Studies in Rapid Kinetic Reactions by Quasi-Quantum Mechanical, Conservative Methodology
(University of Texas at Arlington, 1990-12)
Simulations are made of prototype, ground state, rapid kinetic reactions for A+BC, in which B, and C are hydrogen atoms and BC is a hydrogen molecule. We study cases in which B and C first unbind, and then A, B, and ...
Programs for Vortex Street Generation
(University of Texas at Arlington, 1987)
Rapid Computation of the Energy States of Two-Electron Atoms and Ions with an Explicit Formula for the Excited States of Helium
(University of Texas at Arlington, 1985-05)
A new computational approach is developed for the energy states of two electron atoms and ions. The theory incorporates a classical interpretation of electron pairing and requires Only simple numerical methodology ...
Molecular Mechanics Simulations of the Three Dimensional Cavity Problem
(University of Texas at Arlington, 1999-03)
The rapid development of computer technology has resulted in broad interest in three dimensional fluid simulation, which is known to have more complex force interactions than occur in two dimensions (see, e.g., refs. [1-6], ...
Local Atomic Temperature
(University of Texas at Arlington, 1989-10)
For the study of phase-transition by molecular dynamics, the concept of local temperature is desirable. Such a concept is defined and studied in this paper. From computer studies of tetrahedral arrangements of four atoms, ...
Supercomputer Simulation of Liquid Drop Formation on a Solid Surface
(University of Texas at Arlington, 1990-02)
Using a molecular dynamics type approach, we show how to simulate the formation of a liquid drop on a solid surface. Application is made to the case in which the liquid is water and the solid is graphite. The dynamical ...
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 ...
A New Computer Approach to the Modeling of Close Binary Stars
(Department of Mathematics, 1983-01)
A new, n-body approach is developed for the modeling of close binary systems, the most commonly occurring star systemsknown. Both local and long range forces are included. Computer examples of streaming, mass loss, and ...