中文摘要：

结合材料的破坏通常都是从界面或其附近发生的,但界面破坏的机理及其评价准则尚未十分清楚。采用分子动力学模拟方法,可以对结合材料的界面起裂过程进行模拟,从而获得结合材料界面应力和界面破坏之间的关系。虽然在分子动力学模拟中采用了高度简化的界面模型,但对界面起裂过程的模拟,仍可以帮助人们获得结合材料界面破坏过程的规律性认识。通过在界面附近引入初始裂纹,导致界面上应力集中,从而引起界面起裂。从分子动力学模拟结果出发,提出了一个结合材料界面起裂,即界面破坏的准则。

英文摘要：

Fracture of bi-materials often occurs at or near the interface, but the mechanism and criterion of interface fracture are not clearly known yet. A simulation method of molecular dynamics is introduced to simulate the interface crack initiation, from which the correlations between the interface stress and the interface fracture are acquired. Though a quite simplified simulation model is used in simulation of molecular dynamics, the result also reveals some intrinsic features that are useful to understand the process ofbi-material interface fracture. By laying out an initial crack near the interface, stress concentration is caused at the interface and the interface crack initiation happens. From the simulation results of molecular dynamics, a bi-material interface crack initiation criterion viz. an interface fracture criterion is proposed.