Molecular Dynamics Modeling of Silicate Glasses

3/22/99


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Table of Contents

Molecular Dynamics Modeling of Silicate Glasses

Background

When and Where Sizing is Applied

Molecular Modeling Wants

Molecular Modeling of Glass Surfaces

Garofalini Type Force Field

Typical Glass Force Fields

Cal Tech MS-Q Force Field

MS-Q Force Field

Validation of MS-Q Silica Force Field

Simulation Algorithm

Algorithm Results

Algorithm Results (cont’d)

Algorithm Results (cont’d)

PPT Slide

Algorithm Results (cont’d)

Generating Surfaces

Interaction of Surface With Other Molecules

Author: Tom Huff

Email: tom.huff@owenscorning.com