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Assessing elastic property and solid-solution strengthening of binary Ni–Co, Ni–Cr, and ternary Ni–Co–Cr alloys from first-principles theory

Published online by Cambridge University Press:  20 June 2018

Zhi-biao Yang ,
Jian Sun ,
Song Lu  and
Levente Vitos
Zhi-biao Yang
Affiliation:
Shanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Jian Sun*
Affiliation:
Shanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Song Lu
Affiliation:
Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden
Levente Vitos
Affiliation:
Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden; Division of Materials Theory, Department of Physics and Materials Science, Uppsala University, Uppsala SE-75120, Sweden; and Research Institute for Solid State Physics and Optics, Wigner Research Center for Physics, Budapest H-1525, Hungary
*
a)Address all correspondence to this author. e-mail: jsun@sjtu.edu.cn
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Abstract

The elastic properties and solid-solution strengthening (SSS) of the binary Ni–Co and Ni–Cr, and ternary Ni–Co–Cr alloys were investigated by the first-principles method. The results show that both Co and Cr increase lattice parameters of the binary alloys linearly. However, nonlinearity is found in compositional dependence of lattice parameters in the ternary Ni–Co–Cr alloys, that is, Co increases but decreases the lattice parameter at low and high Cr concentrations, respectively. Co increases the bulk, shear, and Young’s moduli (B, G, and E), while Cr increases B but decreases G and E in the binary alloys. In the ternary Ni–Co–Cr alloys, G and E have a similar compositional dependence to those in the binary alloys, except for B. Based on the Labusch model, the SSS parameter of Ni–Cr is larger than that of Ni–Co. The SSS effect increases significantly with Cr addition, especially at low Co concentrations in the ternary Ni–Co–Cr alloys. Meanwhile, it increases mildly with Co addition at low Cr concentrations but decreases with Co addition at high Cr concentrations.

Keywords

alloyelastic propertiessimulation
Type
Article
Information
Journal of Materials Research , Volume 33 , Issue 18 , 28 September 2018 , pp. 2763 - 2774
Copyright
Copyright © Materials Research Society 2018 

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