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Ideal compressive strength of fcc Co, Ni, and Ni-rich alloys along the (001) direction: A first-principles study
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. School of Metallurgy and Materials, University of Birmingham, United Kingdom. (Enheten strukturer)
2016 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 93, no 14, 144106Article in journal (Refereed) PublishedText
Abstract [en]

We perform density functional theory based first-principles calculations to identify promising alloying elements (X) capable of enhancing the compressive uniaxial theoretical (ideal) strength of the fcc Ni-matrix along the 001 direction. The alloying element belongs to a wide range of 3d,4d, and 5d series with nominal composition of 6.25 at. %. Additionally, a full elastic study is carried to investigate the ideal strength of fcc Ni and fcc Co. Our results indicate that the most desirable alloying elements are those with half d-band filling, namely, Os, Ir, Re, and Ru.

Place, publisher, year, edition, pages
American Physical Society , 2016. Vol. 93, no 14, 144106
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Physical Sciences
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URN: urn:nbn:se:kth:diva-187084DOI: 10.1103/PhysRevB.93.144106ScopusID: 2-s2.0-84963775538OAI: oai:DiVA.org:kth-187084DiVA: diva2:929003
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QC 20160517

Available from: 2016-05-17 Created: 2016-05-17 Last updated: 2016-05-17Bibliographically approved

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Ruban, Andrei V.
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