Tuning phase stability and short-range order through Al doping in (CoCrFeMn)100-xAlx high-entropy alloys

被引：31

作者：

Singh, Prashant ^{[1
]}

Marshal, Amalraj ^{[2
]}

Smirnov, A., V ^{[1
]}

Sharma, Aayush ^{[1
]}

Balasubramanian, Ganesh ^{[3
]}

Pradeep, K. G. ^{[2
,4
]}

Johnson, Duane D. ^{[1
,5
]}

机构：

[1] US DOE, Ames Lab, Ames, IA 50011 USA

[2] Rhein Westfal TH Aachen, Mat Chem, D-52074 Aachen, Germany

[3] Lehigh Univ, Dept Mech Engn & Mech, Bethlehem, PA 18015 USA

[4] Indian Inst Technol Madras, Dept Met & Mat Engn, Chennai 600036, Tamil Nadu, India

[5] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA

来源：

PHYSICAL REVIEW MATERIALS | 2019年 / 3卷 / 07期

关键词：

1ST-PRINCIPLES THEORY; ELECTRONIC-STRUCTURE; METALLIC ALLOYS; SINGLE-PHASE; MICROSTRUCTURE;

D O I：

10.1103/PhysRevMaterials.3.075002

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

For (CoCrFeMn)(100-x)Al-x high-entropy alloys, we investigate the phase evolution with increasing Al content (0 <= x <= 20 at.%). From first-principles theory, aluminum doping drives the alloy structurally from fcc to bcc separated by a narrow two-phase region (fcc+bcc), which is well supported by our experiments. Using KKR-CPA electronic-structure calculations, we highlight the effect of Al doping on the formation enthalpy (alloy stability) and electronic dispersion of (CoCrFeMn)(100-x)Al-x alloys. As chemical short-range order indicates the nascent local order, and entropy changes, as well as expected low-temperature ordering behavior, we use KKR-CPA-based thermodynamic linear response to predict the chemical ordering behavior of arbitrary complex solid-solution alloys-an ideal approach for predictive design of high-entropy alloys. The predictions agree with our present experimental findings and other reported ones.

引用

页数：9

共 43 条

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