Author： Yip Sidney
Publisher： Springer Publishing Company
ISSN： 0022-4715
Source： Journal of Statistical Physics, Vol.125, Iss.5-6, 2006-12, pp. : 1109-1120
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Abstract
Using an elementary case study of stress-induced structural instability in a crystal we discuss how collective response to large-strain deformation at the atomic level can give insights into the mechanistic nature of shear localization. Stability criteria and reaction pathway sampling are used to probe saddle-point configurations, both local spatial coordinates and activation energy barriers, to optimally extract the information available from molecular dynamics simulations.
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