2007 NSTI Nanotechnology Conference and Trade Show - Nanotech 2007 - 10th Annual

The mechanical stiffness and the size effect of the silicon based nano-structures using molecular dynamic (MD) simulation

C.A. Yuan, O. van der Sluis, G.Q. Zhang, L.J. Ernst, W.D. van Driel and R.B.R. van Silfhout
Delft University of Technology, NL

molecular dynamics, atomistic modeling, mechanical stiffness

The mechanical stiffness of the silicon based nano-structures is studied using the molecular dynamics (MD) method and the size effect of the nano-structures was captured. The MD simulation procedure is based on the linear-elastic theory, and the stiffness parameter can be acquired by the reaction forces of the sample. The simulation results also indicated that stiffness of the silicon varied with the combination of the geometric characteristics of the model and its crystal orientation. Several silicon based materials were analyzed and the trends of the simulated results were validated by experimental results. The simulation results indicate that the stiffness increases as decreasing the geometrical size of the nano-structure.

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