Atomistic Simulations of Elastic and Plastic Properties in Amorphous Silicon

Details Atomistic Simulations of Elastic and Plastic Properties in Amorphous Silicon Atomistic Simulations of Elastic and Plastic Properties in Amorphous Silicon

2008-06-12

arxiv.org/abs/0806.2031v1

EPL 86 (2009) 66005

Physics

Condensed Matter

Disordered Systems and Neural Networks

conference, 7 pages, 6 figures

Scientific paper

10.1209/0295-5075/86/66005

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 defects-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.

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