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Now showing items 1-9 of 9

#### 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, ...

#### 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 ...

#### 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 ...

#### 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 ...

#### Conservative Motion of Discrete, Hexahedral Gyroscope

(University of Texas at Arlington, 1996)

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 Top on a Smooth Horizontal Plane

(University of Texas at Arlington, 1996)

Tetrahedral tops are simulated as discrete, rigid bodies in rotation by introducing a molecular mechanics formulation. The contact point of the top with the XY plane is allowed to move in the plane. The conservative, ...

#### 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 ...

#### 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 ...