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Now showing items 1-10 of 50

#### 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, ...

#### A Mathematical Curiosity in Estimating the Radius of the First Ring Electrons of an Arbitary Atom

(University of Texas at Arlington, 1984)

In this note, we explore an elementary method for approximating the radii and speeds of first ring electrons in atoms. The approach uses only a single
algebraic equation with parameters. Any particular atom under study ...

#### Supercomputer Simulation of Cracks and Fractures by Quasimolecular Dynamics

(University of Texas at Arlington, 1989)

The gross physical behavior of solids and liquids is the result of atomic or molecular reactions to external forces. Using molecular dynamics, we can study such reactions in the small, on the molecular level. In quasimolecular ...

#### Programs and Data Sets for Quasimolecular Modeling of Cavity Flow

(University of Texas at Arlington, 1987-01)

#### A New Computer-Oriented Approach to Molecular Mechanics

(University of Texas at Arlington, 1982-02)

A new dynamical theory for atomic and molecular dynamics is formulated and discussed. The associated nonlinear differential system is derived from general atomic and molecular stability properties and from aspects of modern ...

#### 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 ...

#### Hydrogenic Formulas for Excited States of the Atoms Through Carbon

(University of Texas at Arlington, 1985)

One of the beautiful consequences of Bohr's simplistic theory for hydrogen was a single formula for the excited states of the atom. Since this formula can be stated in terms of the constants of the hydrogen atom, it is ...

#### 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. ...

#### 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 ...