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Effects of the alloying element on the stacking fault energies of dilute Ir-based superalloys: A comprehensive first-principles study

Published online by Cambridge University Press:  09 October 2020

Gengsen Xu Open the ORCID record for Gengsen Xu [Opens in a new window] ,
Xiaoyu Chong ,
Yunxuan Zhou ,
Yan Wei ,
Changyi Hu ,
Aimin Zhang ,
Rong Zhou  and
Jing Feng
Gengsen Xu
Affiliation:
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming650093, China
Xiaoyu Chong*
Affiliation:
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming650093, China Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania16802, USA
Yunxuan Zhou
Affiliation:
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming650093, China
Yan Wei*
Affiliation:
Sino-Precious Metals Holding Co., Ltd., Kunming650093, China
Changyi Hu
Affiliation:
Sino-Precious Metals Holding Co., Ltd., Kunming650093, China
Aimin Zhang
Affiliation:
Sino-Precious Metals Holding Co., Ltd., Kunming650093, China
Rong Zhou
Affiliation:
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming650093, China
Jing Feng
Affiliation:
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming650093, China
*
a)Address all correspondence to these authors. e-mail: [email protected]
b)e-mail: [email protected]
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Abstract

Iridium (Ir) has an extremely high melting point (2443 °C), high chemical stability and is one of the most promising high-temperature materials. However, Ir is more difficult to process compared with other face-centered cubic metals, such as Ni and Al, which limits its applications. To solve this problem, we study the effect of 32 alloying elements (X) on stacking fault energy of dilute Ir-based alloys generated by shear deformation using the first-principles calculations. The investigation reveals that there are many alloying elements studied herein decrease the stacking fault energy of face-centered cubic (fcc) Ir, and the most effective element in reducing stacking fault energy of fcc Ir is Zn. The microscopic mechanism is caused by electron redistribution in the local stacking fault area. These results are expected to provide valuable guidance for the further design and application of Ir-based alloys.

Keywords

superalloyIr-based alloysfirst-principles calculationsstacking fault energyshear deformation
Type
Article
Information
Journal of Materials Research , Volume 35 , Issue 20 , 28 October 2020 , pp. 2718 - 2725
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Copyright
Copyright © The Author(s), 2020, published on behalf of Materials Research Society by Cambridge University Press

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