Prediction of phase, hardness and density of high entropy alloys based on their electronic structure and average radius

JOURNAL OF ALLOYS AND COMPOUNDS

卷:865

Article

Calvo-Dahlborg, M.^1,2  Mehraban, S.¹  Lavery, N. P.¹  Brown, S. G. R.¹  Cornide, J.^2,3  Cullen, J.¹  Cieslak, J.⁴  Leong, Z.⁵  Goodall, R.⁵  Dahlborg, U.^1,2 

[1] Swansea Univ, Coll Engn, Future Mfg Res Inst, Bay Campus,Fabian Way, Swansea SA1 8EN, W Glam, Wales

[2] Normandie Univ, UNIROUEN, INSA Rouen, CNRS,GPM, F-76000 Rouen, France

[3] Univ Carlos III Madrid, Dept Mat Sci & Engn, IAAB, Avda Univ 30, Leganes 28911, Spain

[4] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Al Mickiewicza 30, PL-30059 Krakow, Poland

[5] Univ Sheffield, Dept Mat Sci & Engn, Sir Robert Hadfield Bldg,Mappin St, Sheffield S1 3JD, S Yorkshire, England

关键词: High entropy alloys;    Design;    Phases;    Hardness;    Density;   

DOI  :  10.1016/j.jallcom.2021.158799

来源: Elsevier

【 摘 要 】

According to a recent Hume-Rothery approach, the electron concentration, e/a, and the average radius can be used to identify the domain of stability of HEAs and to estimate the phases that may occur in the alloy. The present study investigates the influence of the electronic structure and the average radius on the hardness for a series of HEA alloys. The alloys investigated in this work all contained Co, Fe and Ni as base elements. To this base system one or more elements were added, including Al, Cr, Cu, Sn, Pd, Ru, Ti, and V in different proportions. For comparison, data on phases identified and hardness have been taken from a wide range of bibliography for other types of alloys in the systems Co Cr Fe Cu A B C D E F, with A, B, C, D, E, F = Al, Ti, V, Nb, Cu, Mo, Mn, B, Si, Y, Sc, Ru, Re, Gd, Dy, Ho, Lu, Tb, Er, Tm, La, W, Ta, Hf, Zr. In order to predict the occurrence of mainly fcc, bcc and hcp phases, the average atomic radius is preferable over to the average radius for a 12 nearest atoms neighbourhood. Based on this [e/a; radius] system, it is shown that the hardness of the HEA composition can be predicted. By using this classification, it is possible to determine compositions of HEA alloys with adequate range of hardness, density and phases present. The consequences of such predictions when modelling the structure and mechanical behaviour of HEAs is fundamental for their application. (C) 2021 Elsevier B.V. All rights reserved.

【 授权许可】

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