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Effect of Alloying Elements on the Elastic Properties of γ-Ni and γ'-Ni3Al from First-principles Calculations

Published online by Cambridge University Press:  31 January 2011

Yunjiang Wang
Affiliation:
wangyunjiang05@mails.tsinghua.edu.cn, Tsinghua University, Department of Physics, Beijing, China
Chongyu Wang
Affiliation:
cywang@mail.tsinghua.edu.cn, Department of Physics, Tsinghua University, Beijing 100084, China, Beijing, China
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Abstract

The effect of alloying elements Ta, Mo, W, Cr, Re, Ru, Co, and Ir on the elastic properties of both γ-Ni and γ′-Ni3Al is studied by first-principles method. Results for lattice properties, elastic moduli and the ductile/brittle behaviors are all presented. Our calculated values agree well with the existing experimental observations. Results show all the additions decrease the lattice misfit between and γ′ phases. Different alloying elements are found to have different effect on the elastic moduli of γ-Ni. Whereas all the alloying elements slightly increase the moduli of γ′-Ni3Al expect Co. Both of the two phases are becoming more brittle with alloying elements, but Co is excepted. The electronic structures of γ′ phase alloyed with different elements are provided as example to elucidate the different strengthening mechanisms.

Type
Research Article
Copyright
Copyright © Materials Research Society 2010

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Effect of Alloying Elements on the Elastic Properties of γ-Ni and γ'-Ni3Al from First-principles Calculations
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