## Search

Now showing items 11-20 of 100

#### A New Model of the Molecular Bond

(University of Texas at Arlington, 1991)

It is assumed, on the basis of recent supercomputer calculations, that electrons attract, rather than repel. The consequences are explored by means of three
dimensional, molecular mechanics type simulations of ground state ...

#### Numerical Simulation of Miscible and Immiscible Fluid Flows in Porous Media

(University of Texas at Arlington, 1981-02)

Fast, economical, and accurate finite difference numerical methods are developed for approximating continuum
models of both miscible and immiscible fluid flows in porous media. The methods apply to very general systems ...

#### Particle Simulation of Spiral Galaxy Evolution

(University of Texas at Arlington, 1985)

Spiral galaxies are modelled as n-body systems by means of long range and molecular-type short range forces. A relatively massive, elliptic, type core is sit into rotational motion in a less dense, tidal prone medium. ...

#### Molecular Study of Turbulence in Three Dimensional Cavity Flow

(University of Texas at Arlington, 2000-04)

Three dimensional molecular cavity problems are formulated and solved numerically. The fluid considered is water at 15°C. The turbulent flows generated are characterized by strong crosscurrents over the usual primary vortex ...

#### A New Method for Approximating Quantum Dynamical Phenomena Over Short (and Sometimes Long) Time Periods

(University of Texas at Arlington, 1995)

Approximate electron and proton motions are simulated for short time periods for using a special case of the quantum mechanical Ehrenfest equations. Attention is directed only to ground state. A numerical method is employed ...

#### 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 ...

#### 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 ...

#### Rapid Computation of the Energy States of Two-Electron Systems

(University of Texas at Arlington, 1985)

A new deterministic approach to modelling atoms and molecules is developed which uses static and dynamic numerical methods. The estimate for the ground state energy of [see pdf for notation] is closer to the experimental ...

#### 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 ...

#### On a New Mathematical Model of the Molecular Bond

(University of Texas at Arlington, 2001-05)

Using a new model of the molecular bond, we produce a set of initial conditions for the ground state H2 molecule which yield, over one complete period, bond length and vibrational frequency which are identical to the ...