应变速率对sic 拉伸行为影响的分子动力学模拟.pdf

第44 卷第4 期 硅 酸 盐 学 报 Vol. 44 ，No. 4 2 0 1 6 年 4 月 JOURNAL OF THE CHINESE CERAMIC SOCIETY April ，2016 DOI ：10.14062/j.issn.0454-5648.2016.04.13 应变速率对SiC 拉伸行为影响的分子动力学模拟 秦丽媛，孟松鹤，李金平，田 爽 (哈尔滨工业大学复合材料与结构研究所，哈尔滨 150080) 摘 要：采用分子动力学方法对SiC 单晶应变率敏感性及其失效机理进行了研究。模拟了室温下不同应变速率对立方SiC 单 晶[001]方向的拉伸行为的影响。当应变速率在0.01～10ps–1 时，拉伸强度随应变速率的提高而增加。拉伸过程中SiC 晶体发 生非晶转变导致强度提高。当应变率低于0.01 ps–1 时，晶体在(111)面上发生破坏，强度趋于71.4 GPa 。应变率大于10ps–1 时， 晶体强度达到243 GPa，并未发生非晶转变。 关键词：碳化硅；应变率；拉伸行为；分子动力学 中图分类号：O733 文献标志码：A 文章编号：0454–5648(2016)04–0550–04 网络出版时间：2016–03–18 16:07:24 网络出版地址：/kcms/detail/11.2310.TQ1607.013.html Effect of Strain Rate on Tensile Behavior of Cubic Silicon Carbide by Molecular-Dynamics Simulation QIN Liyuan, MENG Songhe , LI Jinping, TIAN Shuang (Center for Composite Materials and Structure, Harbin Institute of Technology, Harbin 150080, China) Abstract: This paper analyzes the strain-rate sensitivity and mechanism of failure of silicon carbide (SiC) single crystal. The effect of strain rate on the tensile behavior of the [001]-oriented SiC single crystal was investigated via the molecular dynamics simulation at room temperature. The results show that the tensile strength increases when the strain rate increases from 0.01 ps–1 to 10 ps–1 , and a transition from crystalline to amorphous state occurs, leading to the increase of the strength. At the strain rate of 0.01 ps–1, the fracture occurs along the (111) plane, and the strength becomes 71.4 GPa. At the strain