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Carbides in stainless steels: Results from ab initio investigations
KTH, School of Engineering Sciences (SCI), Physics, Nuclear Power Safety.
KTH, School of Engineering Sciences (SCI), Physics, Reactor Physics.
KTH, School of Engineering Sciences (SCI), Physics, Reactor Physics.ORCID iD: 0000-0002-6082-8913
2008 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 93, no 19Article in journal (Refereed) Published
Abstract [en]

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
Keyword [en]
ab initio calculations, density functional theory, hardness, stainless, steel, cr-c, energy, system, cr23c6, cr3c2, fe
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:kth:diva-17979DOI: 10.1063/1.3026175ISI: 000260944100038Scopus ID: 2-s2.0-56249109052OAI: oai:DiVA.org:kth-17979DiVA: diva2:336024
Note

QC 20100525

Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2017-12-12Bibliographically approved

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Wallenius, Janne

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