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单晶硅预制初裂纹扩展行为的分子动力学研究
Molecular dynamics simulations of crack propagating along different orients in silicon
【摘要】 采用基于Stillinger-Weber作用势的分子动力学方法研究了单晶硅预制初裂纹前缘方向分别为[100]、[110]、[111]晶向的裂纹扩展行为。模拟结果表明:低温时裂纹尖端形成新的环状结构,温度逐渐升高后,出现母-子裂纹传播机制,裂纹前缘方向为[111]晶向的初裂纹扩展呈现出明显的取向效应。
【Abstract】 Using molecular dynamics method with S-W potential,we have studied of the propagation behaviors of the cracks in single crystal silicon,which the initiative crack front directions along[100],[110]and[111]re- spectively.The results showed that,ring-like structures were formed near the crack tip at low temperature,as the temperature increasing,the mother-daughter cracks was observed during the simulation.However,for the crack with the front direction of[111],the orientation effect appeared obviously while the tip became wider and wider.
【关键词】 裂纹扩展;
分子动力学模拟;
S-W势;
【Key words】 crack propagation; molecular dynamics simulation; S-W potential;
【Key words】 crack propagation; molecular dynamics simulation; S-W potential;
【基金】 国家自然科学基金(10574113)
- 【文献出处】 功能材料 ,Journal of Functional Materials , 编辑部邮箱 ,2007年04期
- 【分类号】O733
- 【被引频次】8
- 【下载频次】263