In this thesis, the heteroepitaxial growths for Au/Cu(001), Au/Cu(111), Ag/Cu(001), Ag/Cu(111), Cu/Au(001) and Cu/Au(111) were simulated by molecular dynamic method(MD) with embedded atom method(EAM).

• 本文通过分子动力学方法,采用EAM原子间相互作用势分别对Au/Cu(001)、Au/Cu(111)、Ag/Cu(001)、Ag/Cu(111)、Cu/Au(001)和Cu/Au(111)异质外延生长进行了模拟,分析了异质外延岛形貌的演化、局域压力分布以及外延岛与基体之间的结合能和基体形变能。