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Ab initio calculations of elastic properties of Pt-Sc alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0002-9920-5393
2008 (English)In: Intermetallics (Barking), ISSN 0966-9795, E-ISSN 1879-0216, Vol. 16, no 8, 982-986 p.Article in journal (Refereed) Published
Abstract [en]

Elastic properties of substitutionally disordered Pt-rich Pt-Sc alloys and L1(2)-ordered Pt3Sc compound are derived from the first-principles calculations based on the exact muffin-tin orbitals (EMTO) method. We demonstrate that these alloys should exhibit a ductile behavior, which combined with relatively high melting temperature and strong cohesive properties make them a very promising candidate for high-temperature applications.

Place, publisher, year, edition, pages
Elsevier, 2008. Vol. 16, no 8, 982-986 p.
Keyword [en]
intermetallics, miscellaneous, elastic properties, ab initio, calculations, aero-engine components, furnace furniture, single-crystals, approximation, temperature, dependence, constants, platinum, energy, moduli
National Category
Metallurgy and Metallic Materials Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-17817DOI: 10.1016/j.intermet.2008.04.016ISI: 000259135000007Scopus ID: 2-s2.0-48349134186OAI: oai:DiVA.org:kth-17817DiVA: diva2:335862
Note

QC 20100525 QC 20111201

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

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Korzhavyi, Pavel A.

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