Change search
ReferencesLink to record
Permanent link

Direct link
Assessing the elastic properties and ductility of Fe-Cr-Al alloys from ab initio calculations
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Uppsala University, Sweden; Wigner Research Centre for Physics, Hungary.ORCID iD: 0000-0003-2832-3293
2016 (English)In: Philosophical Magazine, ISSN 1478-6435, E-ISSN 1478-6443, Vol. 96, no 2, 122-133 p.Article in journal (Refereed) PublishedText
Abstract [en]

Fe-Al is one of the best corrosion resistant alloys at high temperatures. The flip side of Al addition to Fe is the deterioration of the mechanical properties. This problem can be solved by adding a suitable amount of third alloying component. In the present work, we use ab initio calculations based on density functional theory to study the elastic properties of Fe1-x-yCrxAly alloys for Al and Cr contents up to 20 at.%. We assess the ductility as a function of chemistry by making use of the semi-empirical correlations between the elastic parameters and mechanical properties. In particular, we derive the bulk modulus to shear modulus ratio and the Cauchy pressure and monitor their trends in terms of chemical composition. The present findings are contrasted with the previously established oxidation resistance of Fe-Cr-Al alloys.

Place, publisher, year, edition, pages
Taylor & Francis, 2016. Vol. 96, no 2, 122-133 p.
Keyword [en]
ab initio, Fe-Cr-Al, alloys, ductility, mechanical properties, elasticity
National Category
Metallurgy and Metallic Materials
URN: urn:nbn:se:kth:diva-183337DOI: 10.1080/14786435.2015.1119906ISI: 000369872800003ScopusID: 2-s2.0-84953807081OAI: diva2:910093

QC 20160308. QC 20160319

Available from: 2016-03-08 Created: 2016-03-07 Last updated: 2016-03-19Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Vitos, Levente
By organisation
Materials Science and Engineering
In the same journal
Philosophical Magazine
Metallurgy and Metallic Materials

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 9 hits
ReferencesLink to record
Permanent link

Direct link