Molecular Mechanics Simulation on Pull-out of Swcnt From Grain Boundary in α-Al2O3

摘要：

In order to investigate the interfacial properties of single-walled carbon nanotube (SWCNT) reinforced alumina composites, the pull-out behavior of SWCNT from grain boundary (GB) in α-Al2O3 matrix is studied for the first time by a series of molecular mechanics simulations without consideration of chemical bonds. The corresponding variation of potential energy increment between two adjacent pullout steps in simulation process is investigated systematically for various types of GB embedded with various SWCNTs of different lengths and different diameters. Interestingly, the present results show that the variation of energy increment is independent of not only grain boundary orientation but also nanotube length. Moreover, this variation of energy increment increases linearly with nanotube diameter.

关键词： Molecular Mechanics Pull-out Grain Boundary SWCNT α-Al2O3

作者: Yuan Li Sen Liu Ning Hu Go Yamamoto Toshiyuki Hashida

作者单位: Department of Mechanical Engineering, Chiba University, Chiba 263-8522, Japan Fracture and Reliability Research Institute, Tohoku University, Sendai 980-8579, Japan

会议类型: 国际会议

会议名称: The Ninth China-Japan Joint Conference on Composite Materials(第九届中日复合材料学术会议 CJJCC-9)

会议地点: 呼和浩特

会议语种:英文

页码: 75-77

在线出版日期: 2010-09-01（万方平台首次上网日期，不代表论文的发表时间）