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Now showing items 1-10 of 15

#### 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], ...

#### 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, ...

#### On Electron Attraction in the Diatomic Bond

(University of Texas at Arlington, 1991)

Previously, it was shown that classical simulation of the ground state diatomic hydrogen, deuterium and tritium molecules yielded the correct vibrational frequencies and average molecular diameters under the assumption ...

#### 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 ...

#### 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 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 ...

#### 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 ...

#### The Generation of Turbulence in a Compressed Gas

(University of Texas at Arlington, 1997)

A molecular mechanics type formulation is applied to generate turbulence in a compressed gas. Turbulence is defined in terms of the rapid appearance and disappearance of many small vortices. The generating mechanism lies ...

#### Conservative Motion of a Discrete, Nonsymmetric, Hexahedral Gyroscope

(University of Texas at Arlington, 1997)

Gyroscopic motion is simulated by applying a molecular dynamics formulation to a rigid hexahedron. The conservative dynamical differential equations are solved numerically in such a fashion that all the system invariants ...

#### Conservative Motion of Discrete, Tetrahedral Tops and Gyroscopes

(University of Texas at Arlington, 1996)

Tetrahedral tops and gyroscopes are simulated as discrete, rigid bodies in rotation by introducing a molecular mechanics formulation. The conservative, dynamical differential equations are solved numerically in such a ...