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Use of elastic constants based on ab initio computation in materials optimisation of austenitic stainless steels
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Technology.ORCID iD: 0000-0002-8494-3983
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Technology.ORCID iD: 0000-0002-9920-5393
2014 (English)In: Canadian metallurgical quarterly, ISSN 0008-4433, E-ISSN 1879-1395, Vol. 53, no 3, 282-291 p.Article in journal (Refereed) Published
Abstract [en]

The use of ab initio quantum mechanics methods to compute elastic constants of austenitic stainless steels is reviewed. It is demonstrated that the elastic constants can be predicted accurately as a function of composition. This enables the use of materials optimisation techniques to develop new materials that are systematically adapted to specific components. After the design criteria and the target function to be optimised have been formulated, the optimum property combination can be searched for. The properties involved constitute a property space, where domains with active design criteria are identified. In the present paper, the domain where the stiffness is the controlling property is considered. Cost, weight and environmental impact minimisation is analysed. It turns out that for all three target functions, austenitic stainless steels with low chromium and nickel contents are preferred materials.

Place, publisher, year, edition, pages
2014. Vol. 53, no 3, 282-291 p.
Keyword [en]
Elastic constant, Austenitic stainless steel, Ab initio, Materials optimisation
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-158299DOI: 10.1179/1879139514Y.0000000138ISI: 000345973200006Scopus ID: 2-s2.0-84903984663OAI: oai:DiVA.org:kth-158299DiVA: diva2:778203
Funder
Vinnova
Note

QC 20150109

Available from: 2015-01-09 Created: 2015-01-07 Last updated: 2017-12-05Bibliographically approved

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Sandström, RolfKorzhavyi, Pavel

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