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Phys. Rev. B 44, 378 - 381 (1991)

Molecular-dynamics study of elasticity and failure of ideal solids

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Zhen-Gang Wang
Department of Chemistry, University of California at Los Angeles, 405 Hilgard Avenue, Los Angeles, California 90024

Uzi Landman
School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332

Robin L. Blumberg Selinger and William M. Gelbart
Department of Chemistry, University of California at Los Angeles, 405 Hilgard Avenue, Los Angeles, California 90024

Received 1 February 1991

Results are presented from molecular-dynamics simulations of ideal solids under conditions of constant temperature, pressure, and uniaxial tensile force. We show that the system remains in metastable equilibrium all the way up to a critical value of the applied stress or force, at which point it fails irreversibly via the nucleation of small-scale defects. The critical load (failure strength) is found to decrease strongly with temperature.


©1991 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevB.44.378
DOI: 10.1103/PhysRevB.44.378
PACS: 62.20.Mk, 64.60.My, 05.90.+m

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