Atomistic simulations of elastic and plastic properties in amorphous siliconM. Talati1, 2, T. Albaret1 and A. Tanguy1
1 Université de Lyon - F-69622, France Université de Lyon 1, Laboratoire PMCN; CNRS, UMR 5586 - F-69622 Villeurbanne Cedex
2 Institut für Sicherheitsforschung, Forschungszentrum Rossendorf e.V. - Postfach 510119, 01314 Dresden, Germany
received 23 April 2009; accepted in final form 4 June 2009; published June 2009
published online 13 July 2009
We present here potential-dependent mechanical properties of amorphous silicon studied through molecular dynamics (MD) at low temperature. On average, the localization of elementary plastic events and the co-ordination defect sites appears to be correlated. For Tersoff potential and SW potential the plastic events centered on defect sites prefer 5-fold defect sites, while for modified Stillinger-Weber potential such plastic events choose 3-fold defect sites. We also analyze the non-affine displacement field in amorphous silicon obtained for different shear regime. The non-affine displacement field localizes when plastic events occur and shows elementary shear band formation at higher shear strains.
61.43.Er - Other amorphous solids.
62.20.-x - Mechanical properties of solids.
62.20.F- - Deformation and plasticity.
© EPLA 2009