Tei-Chen Chen1,2, Heng-Chieh Wang1, Shu-Fan Wu1, Yen-Hung Lin1
The International Conference on Computational & Experimental Engineering and Sciences, Vol.9, No.4, pp. 247-262, 2009, DOI:10.3970/icces.2009.009.247
Abstract Mechanical properties of materials in the micro- and nano-meter scale have been successfully obtained by using the indentation technique. Up to now, large-scale atomistic models to simulate the experimental condition, however, still remain computationally demanding. In this article, a simple and accurate method is proposed to derive the intermolecular potential functions of coarse-grained molecular dynamics (CGMD) suitable for various single crystalline materials. This CGMD technique is then provided to simulate nano-indentation process to verify its accuracy and reliability. Simulation results evaluated by CGMD approach are obtained and compared to those predicted by MD. It is More >
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