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Molecular Dynamics Modeling of the Structural Failure of Glass

Published online by Cambridge University Press:  28 February 2011

Joseph H. Simmons  and
Charles J. Montrose
Joseph H. Simmons
Affiliation:
University of Florida, Gainesville, FL 32611
Charles J. Montrose
Affiliation:
Catholic University of America, Washington, DC 20064
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Abstract

Molecular Dynamics (MD) methods for modeling the structure and kinetic behavior of ceramics and glasses are reviewed and discussed while emphasizing the effect of various potential functions on the structure developed and the relevance of model calculations. Two dynamic experiments from the authors’ research are used as examples of modeling technique and interpretation of results. In the first, a Lennard-Jones force function is used to model the behavior of viscous liquids under large deformations. In the second, the brittle response of amorphous SiO2 modeled with an ionic Born-Mayer-Huggins interparticle potential is investigated at very high deformation rates. A comparison of results with experiment show the limitations and the great promise of the MD approach.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 73: Symposium H – Better Ceramics Through Chemistry II , 1986 , 507
Copyright
Copyright © Materials Research Society 1986

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References

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