论文部分内容阅读
发展了一种描述金原子间相互作用的多体势，它是结合二体Ｍｏｌｉｅｒｅ势与半经验紧束缚势的一种混合势将该混合势应用于分子动力学模拟中，研究了金原子簇与金薄膜的碰撞动力学模拟了能量为３２５０ｅＶ／ｃｌｕｓｔｅｒ的金原子簇轰击金（１００）表面后，衬底表面原子尺度的损伤计算机模拟观察到金薄膜晶体结构的改变及表面轰击坑的形成还讨论了原子簇轰击薄膜过程，簇原子与靶原子间集体相互作用的特征．
Developed a multi-body potential that describes the interaction between gold atoms. It is a hybrid potential combining the two-body Moliere potential with the semi-empirical tight binding potential. The mixed potential is applied to the molecular dynamics simulation. Kinetic simulation of gold thin film collisions Gold atomic clusters with an energy of 3250 eV / cluster bombarded the gold (100) surface. Atomic scale damage at the substrate surface was simulated by computer simulation of the change in the crystal structure of the gold thin film and the formation of surface-bombardment pits The process of bombardment of thin films with clusters is discussed. The characteristics of collective interaction between cluster atoms and target atoms are discussed.