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

Authors
Ni, XD Chen, GL Wang, XT Hui, XD
Citation
Xd. Ni et al., MEAM simulation of distribution of Nb atoms in TiAl plus Nb system, J MAT SCI T, 17, 2001, pp. S1-S7
Citations number
18
Categorie Soggetti
Material Science & Engineering
Journal title
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN journal
10050302 → ACNP
Volume
17
Year of publication
2001
Supplement
1
Pages
S1 - S7
Database
ISI
SICI code
1005-0302(2001)17:<S1:MSODON>2.0.ZU;2-D
Abstract
An accurate MEAM (modified embedded atom method) potential including angula r dependence for TiAl compound has been developed. The properties of TiAl c ompound 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 sublatt ice of L10 structure, and with increasing atomic percent of Nb and Al, Nb a toms exhibited a trend of ordered distribution in Ti sublattice, and result in the formation of L1(0) derivative superlattice structure.