A seamless coupling between molecular dynamics and material point method



Publication Details

Chen, H., Hagiwara, I. Tieu, A. K. (2011). A seamless coupling between molecular dynamics and material point method. Japan Journal of Industrial and Applied Mathematics, 28 (1), 55-67.


Nano-processes are gradually becoming more important than ever to realize the nano-metric cutting or nano-material formation. Although FEM and molecular dynamics (MD) are popular two analytical methods, they have their own limitations as used for nanoprocess simulation such as immense calculation time cost of MD, inappropriate governing equations of FE. To compensate the drawbacks of both methods and meet the demands on nanotechnology, multi-scale modeling approach is anticipated to provide a powerful analytical tool assuring materials simulation across length/time scale. In this paper one novel multi-scale simulation method combining the material point method (MPM) and MD by handshaking approach is proposed for nano-processes, i.e. nano-metric cutting and thin film formation. Quantitative assessment items: adhesion/cutting force, flatness and densification coefficient, etc. are provided to avoid drawbacks of current qualitative manner. Finally, various simulations are conducted to validate the efficiency of proposed multi-scale simulation approach and clarify the mechanism of nano-processes.

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