Alloying effect on atomic strengthening of binary Ir solid solutions: a first-principles study

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DOIResolve DOI: http://doi.org/10.1016/j.matlet.2004.05.006
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TypeArticle
Journal titleMaterials Letters
Volume58
Issue22-23
Pages28522854; # of pages: 3
SubjectIr binary solid solution; Mayer bond order; Young's modulus
AbstractDensity functional theory calculations have been performed to systematically study the alloying effect on the atomic strengthening of Ir binary solid solutions. The Mayer bond orders (BOs) were calculated for alloying additions in Ir with 3d, 4d and 5d elements in the periodic table. The trend of the BOs as a function of alloying additions was examined, and then used to assess the alloying effect on Young's moduli of the materials. It was found that the 5d refractory metals Ta, W and Re increase the BOs significantly and thus could enhance the Young's moduli and hardness. The underlying mechanism for this alloying effect is related to the Mayer total valence electrons of the alloying elements.
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LanguageEnglish
AffiliationNational Research Council Canada; NRC Institute for Aerospace Research; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12328074
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Record identifiera3c845e5-aa6d-486d-b03e-a4440b5ad4f4
Record created2009-09-10
Record modified2016-05-09
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