J. Mater. Sci. Technol. ›› 2001, Vol. 17 ›› Issue (S1): 1-7.

• 论文 •    下一篇

MEAM simulation of distribution of Nb atoms in TiAl plus Nb system

Xiaodong NI, Guoliang CHEN, Xitao WANG, Xudong HUI   

  • 收稿日期:2000-06-29 修回日期:2001-01-10 出版日期:2001-10-28 发布日期:2009-10-10

MEAM simulation of distribution of Nb atoms in TiAl plus Nb system

Xiaodong NI, Guoliang CHEN, Xitao WANG, Xudong HUI   

  1. State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083, China
  • Received:2000-06-29 Revised:2001-01-10 Online:2001-10-28 Published:2009-10-10
  • Contact: Xiaodong NI

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Abstract: An accurate MEAM (modified embedded atom method) potential including angular dependence for TiAl compound has been developed. The properties of TiAl compound can be reproduced well. With this potential, the distribution of Nb atoms in L1(0) type TiAl compound with various composition are calculated by using an average-atom model similar to B-W (Bragg-Williams) method. The results of calculation showed that Nb atoms prefer to occupy the Ti sublattice of L10 structure, and with increasing atomic percent of Nb and Al, Nb atoms exhibited a trend of ordered distribution in Ti sublattice, and result in the formation of L1(0) derivative superlattice structure.

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