| 晶体相场方法模拟纳米孪晶结构 |
| |
| 引用本文： | 高英俊,王江帆,罗志荣,卢强华,刘瑶. 晶体相场方法模拟纳米孪晶结构[J]. 计算物理, 2013, 30(4): 577-581 |
| |
| 作者姓名： | 高英俊 王江帆 罗志荣 卢强华 刘瑶 |
| |
| 作者单位： | 1. 广西大学物理科学与工程技术学院, 南宁 530004;2. 中国科学院国际材料物理中心, 沈阳 110016 |
| |
| 基金项目： | 国家自然科学基金(51161003,50661001);广西自然科学基金重点项目(2012GXNSFDA053001);广西大学科研基金(XJZ110611)资助项目 |
| |
| 摘 要： | 应用双模晶体相场模型,模拟共格纳米孪晶结构.结果表明:球状晶粒生长成的共格孪晶片层,在共格面上的原子排列有变形,容易出现位错;条状晶粒凝固生长成的共格孪晶界,比用球状晶粒长大生成的共格孪晶界的原子排列整齐.应用晶体相场模型,可以精确计算纳米孪晶带的厚度,设计和控制带内的原子层数,实现人工操纵纳米共格孪晶片层结构,指导实验研究纳米孪晶结构及其与性能的关系.
|
| 关 键 词： | 晶体相场 纳米晶 孪晶界 模拟 |
| 收稿时间： | 2012-08-29 |
| 修稿时间： | 2012-12-10 |
Nano-twin Structure Simulation with Phase Field Crystal Method |
| |
| GAO Yingjun,WANG Jiangfan,LUO Zhirong,LU Qianghua,LIU Yao. Nano-twin Structure Simulation with Phase Field Crystal Method[J]. Chinese Journal of Computational Physics, 2013, 30(4): 577-581 |
| |
| Authors: | GAO Yingjun WANG Jiangfan LUO Zhirong LU Qianghua LIU Yao |
| |
| Affiliation: | 1. College of Physics Science and Engineering, Guangxi University, Nanning 530004, China;2. International Center for Material Physics, Chinese Academy of Sciences, Shenyang 110016, China |
| |
| Abstract: | Two-mode phase-field-crystal (PFC) method is used to simulate coherent boundary of nano-twins.It shows that atomic arrangement in coherent twin-grain boundary is not in good order as sphere grains grow and run into each other to form dislocations.Atomic arrangement in coherent twin-grain boundary as band-shape grains colliding each other is more tidy.For designing and controlling numbers of atomic layer in nano-twins,PFC model can be used to realize manipulation for coherent nano-twins structure.It is significant for guiding experiment and revealing nano-twins structure and properties. |
| |
| Keywords: | phase field crystal nanocrystalline nano-twins boundary simulation |
|
| 点击此处可从《计算物理》浏览原始摘要信息 |
|
点击此处可从《计算物理》下载全文 |
|
