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铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 19    No. 3    June 2009

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Microscopic phase-field simulation of ordered domain interfaces formed between DO22 phases along [100] direction
ZHANG Ming-yi(张明义)1, CHEN Zheng(陈 铮)1, 2, WANG Yong-xin(王永欣)1,
LU Yan-li(卢艳丽)1, ZHANG Li-peng(张利鹏)1, ZHAO Yan(赵 彦)1<

1. School of Materials Science and Engineering, Northwestern Polytechnical University,
Xi’an 710072, China;
2. State Key Laboratory of Solidification Processing, Northwestern Polytechnical University,
Xi’an 710072, China

Abstract:Ordered domain interfaces formed between DO22 (Ni3V) phases along [100] direction during the precipitation process of Ni75AlxV25−x alloys were simulated by using the microscopic phase-field model. The atomic structure, migration process, and compositions of interfaces were investigated. It is found that there are four kinds of stable ordered domain interfaces formed between DO22 phases along [100] direction and all of them can migrate. During the migration of interfaces, the jump of atoms shows site selectivity behaviors and each stable interface forms a distinctive transition interface. The atom jump selects the optimist way to induce the, migration of interface, and the atomic structures of interfaces retain the same before and after the migration. The alloy elements have different preferences of segregation or depletion at different interfaces. At all the four kinds of interfaces, Ni and Al segregate but V depletes. The degrees of segregation and depletion are also different at different interfaces.

 

Key words: interface migration; solute segregation; site selectivity; microscopic phase-field; ordered domain interface

ISSN 1672-7029
CN 43-1423/U

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