Site preference and mechanical properties of Cr23-xTxC6 and Fe21T2C6 (T = Mo, W)

被引：54

作者：

Xie, Jiaying

Shen, Jiang

Chen, Nanxian

Seetharaman, S. ^{[1
]}

机构：

[1] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden

[2] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China

[3] Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China

来源：

ACTA MATERIALIA | 2006年 / 54卷 / 18期

关键词：

carbides; lattice inversion; site preference; crystal structure; mechanical properties;

D O I：

10.1016/j.actamat.2006.03.059

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The site preference, stability, crystal structure and mechanical properties of Cr23-xTxC6 and Fe21T2C6 (T = Mo, W) carbides have been investigated using inverted pair potentials. Among the four different kinds of metal sites in these compounds, the most preferential sites for Mo atoms or W atoms are 8c sites. The result of stability indicates that each of the Mo atoms and W atoms significantly increases the stability of Cr23C6 and Fe23C6. The stability of Fe21T2C6 is lower than that of Cr21T2C6 and the carbides containing W atoms are more stable than those containing Mo atoms. The calculated structural properties are in good agreement with experimental data. Further-more, the mechanical properties have also been evaluated and the results indicate that Mo atoms or W atoms can improve the hardenability of the systems. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：4653 / 4658

页数：6

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