中文摘要：

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。

英文摘要：

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] respectively. 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.