Carbides in stainless steels: Results from ab initio investigations
2008 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 93, no 19Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2008. Vol. 93, no 19
ab initio calculations, density functional theory, hardness, stainless, steel, cr-c, energy, system, cr23c6, cr3c2, fe
IdentifiersURN: urn:nbn:se:kth:diva-17979DOI: 10.1063/1.3026175ISI: 000260944100038ScopusID: 2-s2.0-56249109052OAI: oai:DiVA.org:kth-17979DiVA: diva2:336024
QC 201005252010-08-052010-08-052016-05-25Bibliographically approved