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

Nanoscale Research Letters - Tập 3 Số 2 - 2008
Yen‐Hung Lin1, Sheng-Rui Jian2, Yi‐Shao Lai3, Ping-Feng Yang3
1Department of Mechanical Engineering, National Cheng Kung University, Tainan, Taiwan, ROC
2Department of Materials Science and Engineering, I-Shou University, Kaohsiung, Taiwan, ROC
3Central Labs, Advanced Semiconductor Engineering, Inc., Kaohsiung, Taiwan, ROC

Tóm tắt

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.

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Nanoscale Research Letters

Tập 3 Số 2

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