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

2008 ◽  
Vol 3 (2) ◽  
pp. 71-75 ◽  
Author(s):  
Yen-Hung Lin ◽  
Sheng-Rui Jian ◽  
Yi-Shao Lai ◽  
Ping-Feng Yang
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Molecular Dynamics Simulation ◽  
Mechanical Deformation ◽  
Monocrystalline Silicon ◽  
Dynamics Simulation

A Study on Nanocutting of Monocrystalline Silicon by Molecular Dynamics Simulation

2011 ◽  
Vol 110-116 ◽  
pp. 5405-5412
Author(s):  
Zhi Wei Zhu ◽  
Mei Chen Liu ◽  
Xiao Qin Zhou
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Molecular Dynamics Simulation ◽  
Elastic Deformation ◽  
Monocrystalline Silicon ◽  
Dynamics Simulation ◽  
Single Atom ◽  
Machined Surface ◽  
Material Deformation ◽  
Plastic Deformation Behavior

Three dimensional molecular dynamics simulation on the nanocutting of monocrystalline silicon is carried out to investigate the material deformation behaviors and atomic motion characteristics of the machined workpiece. A deformation criterion is developed to determine the material deformation and phase transformation behavior in the subsurface layer based on the single-atom potential energy variations. The results show that the machined chips suffer a complex phase transformation and eventually present an amorphous structure caused by the plastic deformation behavior. A polycrystalline structure is obtained on the machined surface. Both plastic and elastic deformation simultaneously takes place on the machined surface, and elastic deformation takes place under the machined surface. In order to further unveil the mechanism of nanocutting process, the displacements of all atoms are also simulated. The simulation results shows that different atomic motions occur in different regions in the workpiece, and the chips formations occur via extrusion.

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