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Molecular Dynamics Computer Simulation of the Rupture of the two - Dimensional Lennard - Jones Film

Published online by Cambridge University Press:  16 February 2011

John F. Maguire  and
Chun- Pok Leung
John F. Maguire
Affiliation:
Southwest Research Institute, Department of Materials and Mechanics, P. O. Drawer 28510, San Antonio, Texas 78228-0510
Chun- Pok Leung
Affiliation:
Southwest Research Institute, Department of Materials and Mechanics, P. O. Drawer 28510, San Antonio, Texas 78228-0510
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Abstract

We have conducted a molecular dynamics computer simulation of the rupture of a small, two-dimensional film. The film was composed of two hundred atoms arranged on a close-packed triangular lattice and was thermally equilibrated at a reduced temperature of 0.05. Following equilibration, the rupture characteristics of the film were investigated under tensile loading, and the atomistic dynamical response was followed throughout the rupture process. An estimate of the internal stress field was made by performing a time average over the random forces. In tensile failure, the system undergoes an initial elastic deformation followed by plastic flow. The fundamental mechanisms of defect nucleation are briefly discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 188: Symposium K – Thin Films: Stresses and Mechanical Properties II , 1990 , 269
Copyright
Copyright © Materials Research Society 1990

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References

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