Now showing items 1-10 of 40
Melting Points of Atomic and Homogeneous, Diatomic Molecular Solids Via the Four-Body Problem
(University of Texas at Arlington, 1992-10)
For a regular tetrahedral arrangement of four identical atoms, the minimum velocity of one atom, required for that atom to pass through the plane of the other three, is used to define the melting point of any solid composed ...
Heating Water Vapor in a Square Cavity Using Molecular and Particle Mechanics
(University of Texas at Arlington, 1999-02)
This paper explores the computer simulation of heating water vapor in a square cavity. Both molecular and particle mechanics are applied. A particular parameter called vel, found on the micro level, is shown to be applicable ...
A Molecular Mechanics Simulation of Cracks and Fractures in a Sheet of Ice
(University of Texas at Arlington, 1998-07)
Rectangular, two dimensional sheets of ice molecules are both stressed and compressed. Computer examples compare dynamical responses when the plate has a slot or does not have a slot. The mechanisms for both crack and ...
Particle Simulation in Contact Mechanics of a Bouncing Elastic Ball
(University of Texas at Arlington, 1999-05)
An elastic ball is simulated by considering lumped mass molecular sets called particles. Particles are allowed to interact only locally in a fashion similar to that employed in molecular mechanics. Under local and gravity ...
On Attractive Force Between Electrons in the Same Molecular Orbital
(University of Texas at Arlington, 1991)
Is is assumed, on the basis of recent studies in particle theory, that two electrons in the same molecular orbital attract, rather than repel, and the consequences are explored by means of three dimensional, supercomputer, ...
Particle Simulation of Large Carbon Dioxide Bubbles in Water
(University of Texas at Arlington, 1993)
A method which can be applied to simulate the motion of fluid drops within fluids is described through a detailed study of a prototype problem, that is, the motion of carbon dioxide bubbles in water. The mathematical ...
Molecular Cavity Flow
(University of Texas at Arlington, 1998-01)
Using molecular mechanics, cavity flow is studied in a basin of 4235 water molecules at 15°C. Primary vortices are generated with wallspeeds [see pdf for notation]. The vortex motions agree with experimental results in the ...
Supercomputer Simulation of the Modes of Colliding Microdrops of Water
(University of Texas at Arlington, 1990-09)
Arbitrary Order, Hamiltonian Conserving Numerical Solutions of Calogero and Toda Systems
(University of Texas at Arlington, 1990)
For Calogero and Toda dynamical equations two numerical methods of arbitrary high order, conserving the Hamiltonian are developed. The methods consist of modifications of conventional polynomial extrapolation with the Gragg ...
Accurate Quasi-Quantum Mechanical Numerical Methodology
(University of Texas at Arlington, 1990-10)
A quasi-quantum mechanical method in which energy is determined by quantum mechanics and motion by Newtonian mechanics is studied by combining it with numerical methodology which conserves energy exactly at each time ...