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Computer Simulation Studies of Fracture in Vitreous Silica

Published online by Cambridge University Press:  01 February 2011

Romulo Ochoa ,
Michael Arief  and
Joseph H. Simmons
Romulo Ochoa
Affiliation:
Department of Physics, The College of New Jersey Ewing, NJ 08628
Michael Arief
Affiliation:
Department of Physics, The College of New Jersey Ewing, NJ 08628
Joseph H. Simmons
Affiliation:
Department of Materials Science and Engineering, University of Arizona Tucson, AZ 85721
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Abstract

We conduct molecular dynamics computer simulations of fracture in silica glass using the van Beest, Kramer, and van Santen model. Stress is applied by uniaxial strain at different pulling rates. Comparisons with previous fracture simulations of silica that used the Soules force function are presented. We find that in both models stress is relieved by rotation of the (SiO4)-2 tetrahedrons, increasing Si-O-Si bonding angles, and only small changes in the tetrahedron dimensions and O-Si-O angles.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 731: Symposium W – Modeling and Numerical Simulation of Materials Behavior and Evolution , 2002 , W5.17
Copyright
Copyright © Materials Research Society 2002

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