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 found that the results predicted… More >
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