Abstract: Different from the conventional binary alloys, multi-principal high entropy alloys (HEAs) are usually composed of five or more elements, exhibiting the characteristics of lattice structural distortion, slow diffusion of atoms and high structural stability. As a novel alloy, HEAs is prone to obtain solid-solution phase and nanostructure with high thermal stability, and even amorphous phase. HEAs show superior comprehensive properties to the conventional alloy, which holds significant academic research value and considerable industrial application potential. The composition and microstructures of the material determine its final properties. The design of multi-principal component makes phase composition of HEAs more complicated. Accordingly, it is of great importance for the design of HEAs to predict the phase formation rules of the given HEAs accurately through theoretical calculations. It has been found that mixed enthalpy Hmix can determine the phase composition in HEAs. Nevertheless, the multi-principal high-entropy alloy phase can not be predicted precisely via simple mixing enthalpy parameters, and more parameters are proposed in the development process of high-entropy alloys. Previous studies have proved that solid solution (SS) phase and intermetallic compound (Im) phase in HEAs can be predicted by atomic radius difference δr, ratio of entropy and enthalpy parameter Ω(TA), yet they fail to predict the type of solid solution. However, the supplement of parameters KCr1(TA) raises the accuracy of phase prediction at a given heat treatment temperature. The value of the SS phase formation domain turns smaller after heat treatment, indicating the formation of another phase after heat treatment the Im phase. The VEC criterion can predict solid solution phase type of FCC and BCC HEAs, but it is not applicable for all high-entropy alloys. The difference of electronegativity ΔX can predict stability of topological closed phase of most HEAs (except for the one containing a large amount of Al), and topological closed phase would be stable when ΔX>0.133. For the sake of predicting the phase formation rules of HEAs more accurately, the prediction models of CALPHAD (computer coupling of phase diagrams and thermochemistry) is proposed by scholars. Since the kinetic effect of FCC is larger than BCC structure, it is worse to employ CALPHAD to predict the phase composition of FCC, while the prediction of BCC phase by CALPHAD is quite precise. Howe-ver, using only one parameter md (the average energy level of d orbital of alloyed transition metal), the molecular orbital theory is capable of predicting TCP/GCP phase formed by the solid-solution and transition metal in nickel-based, cobalt-based and iron-based HEAs. Based on the phase formation law of conventional alloys, the phase structure model of high entropy alloys is clarified by studying the current theory of phase formation of high entropy alloys. The theoretical prediction model of the solid solution and intermetallic compound, Face-centered cube (FCC), Body-centered cube (BCC) and Close-packed hexagonal(HCP) structured HEAs, solid solution and the second phase are summarized. The pros and cons of all phases formation theoretical prediction models are analyzed, and a more complete set of HEA prediction flow is proposed, which is benefit to the beginners to design the composition of HEAs.
作者简介: 赵雪柔,2017年6月毕业于西安工业大学,获得工学学士学位。现为西安工业大学材料与化工学院硕士研究生,在陈建教授和吕煜坤老师的指导下进行研究。目前主要研究领域为新型 TWIP/TRIP高熵合金。吕煜坤,西安工业大学材料与化工学院讲师。2008年7月本科毕业于冶金与能源学院,2013年7月在重庆大学材料科学与工程学院取得博士学位。主要从事高熵合金,抗震钢及疲劳性能,以及新型铝镁合金的研究工作。近年来,在新材料科学领域发表论10余篇,包括Advanced materials Research、materials & Design、Construction and Building materials等。
赵雪柔, 吕煜坤, 石拓. 高熵合金相形成理论研究进展[J]. 材料导报, 2019, 33(7): 1174-1181.
ZHAO Xuerou, LYU Yukun, SHI Tuo. Advances in the Study of Phase Formation Theory of High Entropy Alloys. Materials Reports, 2019, 33(7): 1174-1181.
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