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arXiv · 0806.2031

Atomistic Simulations of Elastic and Plastic Properties in Amorphous Silicon

Mina Talati·Tristan Albaret·Anne Tanguy
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Abstract

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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Mina Talati, Tristan Albaret, Anne Tanguy. 2008-06-12. Atomistic Simulations of Elastic and Plastic Properties in Amorphous Silicon. https://doi.org/10.1209/0295-5075/86/66005

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