多元纳米薄膜生长界面的动态演化规律及其对微结构与性能的影响

项目名称： 多元纳米薄膜生长界面的动态演化规律及其对微结构与性能的影响

项目编号： No.11302227

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 刘崇

作者单位： 中国科学院力学研究所

项目金额： 25万元

中文摘要： 针对多元薄膜制备中由生长界面的不规则演化而引起的高缺陷率和生长不稳定等问题，本项目拟从微观角度通过分子动力学模拟并结合实验，系统的研究多元薄膜生长界面的动态演化规律及其对薄膜微结构和性能的影响，主要内容包括：研究多元薄膜制备中生长界面的演化过程对微结构形成的影响；分析生长界面演化的主要影响因素并研究其影响规律，确定薄膜的生长模式对组分和基片表面特性的依赖关系；研究温度、电场等物理场对生长界面演化的影响，明晰其对薄膜微结构以及生长取向的调控规律；确定生长温度、组分对沉积原子吸附系数的影响，分析由温度控制薄膜定位定向生长的可行性；探索多元薄膜的微结构与性能关联。本项目旨在揭示纳尺度薄膜生长界面的动态演化规律和机理，为降低缺陷率、控制生长不稳定性以及从原子尺度设计与制备纳尺度功能薄膜提供科学依据。

中文关键词： 纳米薄膜；多组分；演化；生长界面；微结构

英文摘要： In the work proposed herein, we shall investigate the evolution of the growing interface during the growth of multicomponent nanofilms as well as its influences on microstructure and various mechanical and functional properties through non-equilibrium molecular dynamics simulations and experiment. Specifically, the work is targeted at completing the following tasks and objectives: We shall first explore the influences of the evolution of growing interface on the microstructure of multicomponent nanofilms. By analyzing the dominant influencing factors and studying their effects on the evolution of the growing interface, the dependence of growing mode on film component and the surface properties of substrate will be determined. Through studying the role of temperature and electric field on the evolution of the growing interface under different specific conditions, the guideline to control the growth orientation and microstructure through adjusting temperature and electric field will be developed. In addition, the dependence of the sticking coefficient on temperature and component will be determined, and the feasibility of controlling the nanofilm growth in specific location and orientation through applying temperature gradient on substrate is also worthy to be explored. Finally, the relationship between microstruc

英文关键词： nanofilms；multicomponent；evolution；growing interface；microstructure