Open Access Nano Express

Molecular Dynamics Simulation of Nanoindentation-induced Mechanical Deformation and Phase Transformation in Monocrystalline Silicon

Yen-Hung Lin1, Sheng-Rui Jian2, Yi-Shao Lai3* and Ping-Feng Yang3

Author Affiliations

1 Department of Mechanical Engineering, National Cheng Kung University, Tainan, 701, Taiwan, ROC

2 Department of Materials Science and Engineering, I-Shou University, Kaohsiung, 840, Taiwan, ROC

3 Central Labs, Advanced Semiconductor Engineering, Inc., 26 Chin 3rd Rd., Nantze Export Processing Zone, Kaohsiung, 811, Taiwan, ROC

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Nanoscale Research Letters 2008, 3:71-75  doi:10.1007/s11671-008-9119-3

Published: 25 January 2008

Abstract

This work presents the molecular dynamics approach toward mechanical deformation and phase transformation mechanisms of monocrystalline Si(100) subjected to nanoindentation. We demonstrate phase distributions during loading and unloading stages of both spherical and Berkovich nanoindentations. By searching the presence of the fifth neighboring atom within a non-bonding length, Si-III and Si-XII have been successfully distinguished from Si-I. Crystallinity of this mixed-phase was further identified by radial distribution functions.

Keywords:
Monocrystalline silicon; Nanoindentation; Molecular dynamics; Phase transformation