Change search
ReferencesLink to record
Permanent link

Direct link
Chemical composition-elastic property maps of austenitic stainless steels
KTH, Superseded Departments, Materials Science and Engineering.
Uppsala Universitet.ORCID iD: 0000-0003-2832-3293
KTH, Superseded Departments, Materials Science and Engineering.ORCID iD: 0000-0002-9920-5393
2003 (English)In: Solid State Sciences, ISSN 1293-2558, Vol. 5, no 6, 931-936 p.Article in journal (Refereed) Published
Abstract [en]

Despite a tremendous development during the last decades, both as regards computer power and methodology, it has remained impossible to treat steel at a fundamental atomic level. However, recently we have shown [L. Vitos, P.A. Korzhavyi, B. Johansson, Phys. Rev. Lett. 88 (2002) 155501] that the most efficient theories of random substitutional alloys combined with advanced numerical techniques have made possible to establish a theoretical insight to the electronic structure of stainless steels. Here a detailed description of the quantum-mechanical modeling of austenitic stainless steels is presented. We adopt an ab initio electronic structure calculation method based on the coherent potential approximation, implemented within the framework of the exact muffin tin orbitals theory, to map the chemical composition distributions of austenitic stainless steels into the elastic property distributions. The so generated database can be fruitfully used in the design of new class of steel alloys.

Place, publisher, year, edition, pages
2003. Vol. 5, no 6, 931-936 p.
Keyword [en]
coherent-potential approximation, ab-initio, alloys, transition, constants, temperatures, hardness, exchange, energy, metals
National Category
Metallurgy and Metallic Materials Condensed Matter Physics
URN: urn:nbn:se:kth:diva-22745DOI: 10.1016/S1293-2558(03)00118-3ISI: 000184765000012OAI: diva2:341443
QC 20100525 QC 20120208 NR 20140804Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2012-02-13Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Johansson, BörjeVitos, LeventeKorzhavyi, Pavel A.
By organisation
Materials Science and Engineering
In the same journal
Solid State Sciences
Metallurgy and Metallic MaterialsCondensed Matter Physics

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: 21 hits
ReferencesLink to record
Permanent link

Direct link