Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: Molecular Dynamics Simulation of Nanoindentation-induced Mechanical Deformation and Phase Transformation in Monocrystalline Silicon | Nanoscale Res Lett 2008 3 71-75 DOI S11671-008-9119-3 NANO EXPRESS Molecular Dynamics Simulation of Nanoindentation-induced Mechanical Deformation and Phase Transformation in Monocrystalline Silicon Yen-Hung Lin Sheng-Rui Jian Yi-Shao Lai Ping-Feng Yang Received 2 December 2007 Accepted 11 January 2008 Published online 25 January 2008 to the authors 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 nonbonding 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 Introduction Silicon plays an important role in applications such as semiconductor devices sensors mechanical elements and electronics. Its electronic characteristics have therefore been intensively investigated. Mechanical properties of Si however became a research focus only in the past few years owing to the development of the silicon on insulator . Lin Department of Mechanical Engineering National Cheng Kung University Tainan 701 Taiwan ROC . Jian Department of Materials Science and Engineering I-Shou University Kaohsiung 840 Taiwan ROC . Lai H . Yang Central Labs Advanced Semiconductor Engineering Inc. 26 Chin 3rd Rd. Nantze Export Processing Zone Kaohsiung 811 Taiwan ROC e-mail yishao_lai@ SOI technology and microelectromechanical systems MEMS in which Si serves as a substrate. For these applications deformation mechanisms of Si under nanocontact are essential. It is well-known that diamond cubic Si Si-I undergoes pressure-induced phase transformations
