Carbides in stainless steels: Results from ab initio investigations

被引：86

作者：

Henriksson, K. O. E. ^{[1
]}

Sandberg, N. ^{[1
]}

Wallenius, J. ^{[1
]}

机构：

[1] Royal Inst Technol, Dept Reactor Phys, SE-10691 Stockholm, Sweden

来源：

APPLIED PHYSICS LETTERS | 2008年 / 93卷 / 19期

关键词：

ab initio calculations; density functional theory; hardness; stainless steel;

D O I：

10.1063/1.3026175

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The useful properties of steels are due to a complicated microstructure containing iron and chromium carbides. Only some basic physical properties of these carbides are known with high precision, although the carbides may have a vital impact on the performance and longevity of the steel. To improve on this situation, we have performed extensive density-functional theory calculations of several carbides. The quantitative results are in perfect agreement with the relative empirical stability of the carbides. Also, in contradiction with experimental data, we find that Cr23C6 responsible for the hardness of stainless steels is not the most stable chromium-dominated carbide.

引用

页数：3

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