高电荷态离子辐射固体表面形成表面纳米结构过程的研究在材料表面改性及微处理等方面具有重要的应用，也是原子物理、材料物理和等离子体物理等多学科交叉领域的一个重要研究课题。本项目在构建入射离子势能、动能沉积模型和相互作用势的基础上，采用分子动力学方法，对高电荷态Arq+、Xeq+离子辐射 HOPG、Si两种材料表面引起的表面纳米结构形成机理进行系统的模拟研究，获取入射高电荷态离子势能、动能与表面纳米结构形貌及其空间尺寸的关系，并对 HOPG 表面纳米结构形成过程中的 C-C 键断裂、层间键形成等表面原子结构变化进行细致研究，以期得到 HOPG 表面结构在该过程中由 sp2 向 sp3 键的杂化规律。研究结果将为高电荷态离子辐射 HOPG、Si 表面形成表面纳米结构过程提供清晰的物理图景，得到的模拟结果亦可以为高电荷态离子辐射材料进行表面改性和微处理以制备纳米材料等方面应用提供基础数据和科学依据。

：The study on the interaction process of Highly Charged Ion (HCI) with solid surface has important application value in the surface modification, microtreatment of materials and other field,it is also an important research topic in the multi-subjects field of atomic physics,material physics,plasma physics and etc. In this project, based on the construction of the projectile energy deposition and the interaction potential model,the formation mechanism of the surface nanostructure on HOPG,Si surface irradiated by highly charged Arq+,Xeq+ ions will be systematically studied with MD simulation.And the dependences of nanostructure size with the potential and kinetic energy of HCI will be studied and obtained, respectively. Furthermore,the bond breaking and bond formation during the nanostructure formation of HOPG surface will be investigated so as to get the rule of the surface transition from sp2 to sp3 hybridization.The results of this project will provide an explicit physical picture to reveal the nanostructure formation mechanisms of the HOPG,Si surface irradiated by HCI. The results can also provide foundation data and scientific basis for surface modification, preparation of nanometer materials and other applications of HCI.