Although the concept of high entropy has flourished in the development of engineeringly important multi principal elemental crystalline materials, the role of entropy is controversial in driving possible disorder-order transition. Here we provide a thermodynamic perspective on this transition based on absolute free energy calculations of a list of equilibrated CoCrNi configurations extracted from the annealing history. A set of new physical quantities associated with the degree of anharmonicity, chemical short-range order, and Shannon-entropy informed disorder temperatures are proposed to signify the disorder-order transition. The interrelationships between these thermodynamic quantities consistently suggest a disorder-order transition that is supported by experimental observation. The analysis further recognizes the critical role of the anharmonic effect in driving the random solid solution to a chemically short-range ordered phase. The free energy insights help us to understand the formation mechanism of locally ordered structures emerged from the solid solution of ideal mixing.
(Wang Yun-Jiang) Chinese Acad Sci Inst Mech State Key Lab Nonlinear Mech Beijing 100190 Peoples R China, Univ Chinese Acad Sci Sch Engn Sci Beijing 100049 Peoples R China
推荐引用方式 GB/T 7714
Wang XS,Wang YJ. Disorder-order transition in multiprincipal element alloy: A free energy perspective[J]. PHYSICAL REVIEW MATERIALS,2023,7,3,:33606.
APA
王晓实,&王云江.(2023).Disorder-order transition in multiprincipal element alloy: A free energy perspective.PHYSICAL REVIEW MATERIALS,7(3),33606.
MLA
王晓实,et al."Disorder-order transition in multiprincipal element alloy: A free energy perspective".PHYSICAL REVIEW MATERIALS 7.3(2023):33606.
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