| 引用本文: |
|
| Citation: |
|
计量
- 文章访问数: 2388
- PDF下载量: 639
- 被引次数: 0
物理学报. 2004, 53(10): 3482-3486.
doi: 10.7498/aps.53.3482.
ZA27合金中稀土及铁的晶界偏聚与交互作用
- 收稿日期: 2003-10-17
- 修回日期: 2004-02-16
- 刊出日期: 2004-10-15
English Abstract
Segregation and interaction of rare earth and iron elements on grain boundaries in ZA27 alloys
- Received Date:
17 October 2003
- Accepted Date:
16 February 2004
- Published Online:
15 October 2004
Abstract: The model of liquidphase of ZA27 cast alloy was set up in terms of the molecul ar dynamics simulation. The atomic structural models of the α phaseliquid int erf ace and the grain boundary of α phase with the coincidencesite lattice were c on structed by computer programming. The environmentsensitive embedding energy (E S E) of rare earth (or iron) atom in grain, on grain boundary and on α phaseliq uid interface was calculated by Recursion method. The bond order integrals (BOI) be tween Fe, RE atom and Al were also computed. The results show that RE and iron e lements are more stable on the α phaseliquid interface than in grain, which e xpl ains the fact of very small solid solubility of RE and iron elements in α phase , and the enrichment of RE and iron elements in the solid-liquid growth front whe n solidifying. This leads to the segregation of RE and iron atoms on the grain b oundaries and the formation of the complicated REcompounds.
-
Keywords:
- rare earth /
- grain boundaries /
- recursion method /
- electronic structure
下载: