Temperature dependence of thermodynamic stability and mechanical property of alloying Co3Ta compounds

Cuiping Wang; Ke Li; Jiajia Han; Yuechao Chen; Youheng Chen; Yichun Wang; Xingjun Liu

doi:10.1016/j.jallcom.2019.06.170

Temperature dependence of thermodynamic stability and mechanical property of alloying Co₃Ta compounds

Cuiping Wang
, Ke Li
, Jiajia Han
, Yuechao Chen
, Youheng Chen
, Yichun Wang
, Xingjun Liu^*

^*Corresponding author for this work

Xiamen University
Harbin Institute of Technology Shenzhen

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The aim of this work is to search for novel Co-based superalloys from first-principles calculations. Based on the Co₃Ta binary system, which is a promising L1₂ (γ′) strengthened compound, the effects of alloying element X (X = Ru, Rh, Pd, Re, Ir and Pt) on the thermal stability and mechanical property were investigated. The temperature effect is taken into account in the framework of quasi-harmonic Debye theory. According to the present results, Ru and Rh are the promising alloying elements to improve the stability of γ′-Co₃Ta compound against its competitive phase D0₁₉. Particularly, Ru and Rh exhibit improved performance of both mechanical strengthening and structural stabilization. There theoretical predictions in terms of the thermodynamic stability of Co-Ta-X (Ru and Ru) compounds were experimentally verified.

Original language	English
Article number	151068
Journal	Journal of Alloys and Compounds
Volume	808
DOIs	https://doi.org/10.1016/j.jallcom.2019.06.170
State	Published - 5 Nov 2019
Externally published	Yes

Keywords

Co-based superalloys
First-principles calculations
Mechanical property
Thermal stability

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10.1016/j.jallcom.2019.06.170

Cite this

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title = "Temperature dependence of thermodynamic stability and mechanical property of alloying Co3Ta compounds",

abstract = "The aim of this work is to search for novel Co-based superalloys from first-principles calculations. Based on the Co3Ta binary system, which is a promising L12 (γ′) strengthened compound, the effects of alloying element X (X = Ru, Rh, Pd, Re, Ir and Pt) on the thermal stability and mechanical property were investigated. The temperature effect is taken into account in the framework of quasi-harmonic Debye theory. According to the present results, Ru and Rh are the promising alloying elements to improve the stability of γ′-Co3Ta compound against its competitive phase D019. Particularly, Ru and Rh exhibit improved performance of both mechanical strengthening and structural stabilization. There theoretical predictions in terms of the thermodynamic stability of Co-Ta-X (Ru and Ru) compounds were experimentally verified.",

keywords = "Co-based superalloys, First-principles calculations, Mechanical property, Thermal stability",

author = "Cuiping Wang and Ke Li and Jiajia Han and Yuechao Chen and Youheng Chen and Yichun Wang and Xingjun Liu",

note = "Publisher Copyright: {\textcopyright} 2019",

year = "2019",

month = nov,

day = "5",

doi = "10.1016/j.jallcom.2019.06.170",

language = "英语",

volume = "808",

journal = "Journal of Alloys and Compounds",

issn = "0925-8388",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Temperature dependence of thermodynamic stability and mechanical property of alloying Co3Ta compounds

AU - Wang, Cuiping

AU - Li, Ke

AU - Han, Jiajia

AU - Chen, Yuechao

AU - Chen, Youheng

AU - Wang, Yichun

AU - Liu, Xingjun

PY - 2019/11/5

Y1 - 2019/11/5

N2 - The aim of this work is to search for novel Co-based superalloys from first-principles calculations. Based on the Co3Ta binary system, which is a promising L12 (γ′) strengthened compound, the effects of alloying element X (X = Ru, Rh, Pd, Re, Ir and Pt) on the thermal stability and mechanical property were investigated. The temperature effect is taken into account in the framework of quasi-harmonic Debye theory. According to the present results, Ru and Rh are the promising alloying elements to improve the stability of γ′-Co3Ta compound against its competitive phase D019. Particularly, Ru and Rh exhibit improved performance of both mechanical strengthening and structural stabilization. There theoretical predictions in terms of the thermodynamic stability of Co-Ta-X (Ru and Ru) compounds were experimentally verified.

AB - The aim of this work is to search for novel Co-based superalloys from first-principles calculations. Based on the Co3Ta binary system, which is a promising L12 (γ′) strengthened compound, the effects of alloying element X (X = Ru, Rh, Pd, Re, Ir and Pt) on the thermal stability and mechanical property were investigated. The temperature effect is taken into account in the framework of quasi-harmonic Debye theory. According to the present results, Ru and Rh are the promising alloying elements to improve the stability of γ′-Co3Ta compound against its competitive phase D019. Particularly, Ru and Rh exhibit improved performance of both mechanical strengthening and structural stabilization. There theoretical predictions in terms of the thermodynamic stability of Co-Ta-X (Ru and Ru) compounds were experimentally verified.

KW - Co-based superalloys

KW - First-principles calculations

KW - Mechanical property

KW - Thermal stability

UR - https://www.scopus.com/pages/publications/85070058264

U2 - 10.1016/j.jallcom.2019.06.170

DO - 10.1016/j.jallcom.2019.06.170

M3 - 文章

AN - SCOPUS:85070058264

SN - 0925-8388

VL - 808

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

M1 - 151068

ER -

Temperature dependence of thermodynamic stability and mechanical property of alloying Co₃Ta compounds

Abstract

Keywords

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