Volume 11, Issue 3 (Iranian Journal of Physics Research, Fall 2011)                   IJPR 2011, 11(3): 245-257 | Back to browse issues page

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Saghayezhian M, Hashemifar S, Akbarzadeh H, Zarbakhsh J. Topological description of mechanical behavior of Cu, Ag and Au: A first-principle study. IJPR. 2011; 11 (3) :245-257
URL: http://ijpr.iut.ac.ir/article-1-825-en.html
Isfahan University of Technology , m.saghayezhian@ph.iut.ac.ir
Abstract:   (16094 Views)

 Mechanical properties and stress-strain curves of Cu, Ag and Au single crystals are calculated using ab initio methods. Elastic and Plastic regions are scrutinized. Yield stress and slope of these curves can shed light on brittlenesss and ductility of these metals that prove Cu, despite its high ultimate tensile strength, is less ductile than Au and Ag. Analysis of topology of charge density along with stress-strain curves shows that the elastic-plastic transition accompanies topological transition and for these metals, both transitions occur in the same strain. Some charactristics of critical point, especially bond points, are inspected.

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Type of Study: Research | Subject: General

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