RECENT ADVANCES IN MULTI-SCALE SIMULATION OF MECHANICAL RESPONSES OF ULTRANANOCRYSTALLINE DIAMOND

摘要：

Owing to their outstanding materials properties,the ultrananocrystalline diamond (UNCD) films have become the subject of intense research interests over the recent years.In this study,a combined kinetic Monte Carlo and molecular dynamics (MD) procedure is developed for large-scale atomistic simulation of the responses of polycrystalline UNCD films.The effects of grain size,rate,temperature,nitrogen-doping,loading path and imperfection on the mechanical responses of the resulting UNCD films are then studied in the MD simulations.The simulation results provide a better understanding on the performance of UNCD-based MEMS devices under different conditions.

关键词： ultrananocrystalline diamond kinetic Monte Carlo molecular dynamics material properties nitrogen doping

作者: Luming Shen Zhen Chen

作者单位: Department of Civil Engineering,Clayton Campus,Monash University,Victoria 3800,Australia Department of Civil and Environmental Engineering,University of Missouri Columbia,MO 65211,USA,and D

会议类型: 国际会议

会议名称: 第二届国际非均质材料力学会议(The Second International Conference on Heterogeneous Material Mechanics)

会议地点: 安徽黄山

会议语种:英文

页码: 294-298

在线出版日期: 2008-06-03（万方平台首次上网日期，不代表论文的发表时间）