| 非晶材料压缩变形中纳米晶化现象的分子动力学模拟 |
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| 引用本文： | 王宇,王秀喜,王海龙. 非晶材料压缩变形中纳米晶化现象的分子动力学模拟[J]. 金属学报, 2006, 42(10): 1071-1074 |
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| 作者姓名： | 王宇 王秀喜 王海龙 |
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| 作者单位： | 中国科学技术大学力学和机械工程系中国科学院材料行为和设计重点实验室,合肥,230026;中国科学技术大学力学和机械工程系中国科学院材料行为和设计重点实验室,合肥,230026;中国科学技术大学力学和机械工程系中国科学院材料行为和设计重点实验室,合肥,230026 |
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| 基金项目： | 国家自然科学基金;中国博士后科学基金 |
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| 摘 要： | 利用分子动力学方法对非晶纯镍材料压缩变形过程中纳米晶化现象进行了模拟，研究了非晶变形过程中绝热温升对非晶晶化的影响，结果表明，绝热温升不是导致非晶晶化的主要因素．从微观结构演化的角度考察了非晶晶化过程中晶粒的形核和长大，分析发现，应变导致非晶态金属从亚稳态结构逐渐向稳态结构转变，在系统内部的部分短程序原子团逐步合并形成小的晶核，随着应变的增加，晶核逐渐长大，形成一定尺寸的纳米晶粒．
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| 关 键 词： | 非晶材料 纳米晶化 压缩变形 分子动力学 |
| 文章编号： | 0412-1961（2006）10-1071-04 |
| 收稿时间： | 2006-01-23 |
| 修稿时间： | 2006-01-232006-05-22 |
Nano-crystallization in Amorphous Material under Compression Deformation: A Molecular Dynamics Study |
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| WANG Yu,WANG Xiuxi,WANG Hailong. Nano-crystallization in Amorphous Material under Compression Deformation: A Molecular Dynamics Study[J]. Acta Metallurgica Sinica, 2006, 42(10): 1071-1074 |
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| Authors: | WANG Yu WANG Xiuxi WANG Hailong |
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| Affiliation: | Key Laboratory of Mechanical Behavior and Design of Materials, CAS, Department of Mechanics and Mechanical Engineering, University of Science and Technology of China, Hefei 230026 |
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| Abstract: | The nano-crystallization behavior of amorphous pure Ni during compression deformation has been investigated by using a molecular dynamics simulation. The infuence of temperature raise due to adiabatic effect on the nano-crystallization was studied. The nucleation and growth of nano crystal were inspected by the evolution of microstructure. It was shown that the transition from the metastable structure to crystal structure was driven by the compression deformation. The short-range order clusters combined and grew into the nano-crystal with the strain increasing. |
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| Keywords: | amorphous material nano-crystallization compression deformation molecular dynamics method |
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