高熵合金设计与计算机模拟方法的研究进展

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Abstract The high-entropy alloy breaks through the traditional alloy design theory, which can realize the synthesis, analysis and control of the material, and provides a new idea for the development of the alloy. High-entropy alloys have broad application prospects in the industrial field due to their superior corrosion resistance, excellent wear resistance, excellent radiation resistance, and good mechanical properties.
Meanwhile, there are still many shortcomings in the design of high-entropy alloys: (1)the basic theoretical research of high entropy alloys is not perfect. In terms of solid solution strengthening mechanism, due to the large number of components of the high entropy alloy, it is difficult to determine which component is a solvent and which component is a solute. In terms of the diffusion mechanism, although the experiment has proved that the diffusion coefficient of the high entropy alloy is lower than that of the ordinary alloy, it contradicts the Gibbs-Andm equation. These problems bring uncertainty to the design of high entropy alloys. (2)In 2011, the United States proposed the "Materials Genome Initiative", which uses first principle, accelerated molecular dynamics, thermodynamic model, etc. to predict the performance of new materials by information technology simulation, and then proves them by experiment. At present, high-entropy alloys have great prospects in industrial applications. It is of great practical significance to increase the high-throughput calculation of high-entropy alloys and improve the performance of high-entropy alloys.
Since the concept of high-entropy alloys was proposed, the vast number of scientific researchers have devoted themselves to the research work of high entropy alloys, and have researched the micro-structure, performance and preparation process of traditional high entropy alloys, refractory high-entropy alloys and composite high-entropy alloys, which provides a large amount of data for its component design. In addition, "ch-aos theory", high entropy alloy design parameters, first principle, etc.further enrich its theoretical basis.
High-entropy alloys break through the traditional alloy design concept and provide a new idea for the alloy development. The paper reviews the basic theories and characteristics of high-entropy alloys. The main contents are about the design theories and methods of high-entropy alloys. The formation conditions of high entropy alloys in thermodynamics and dynamics are summarized. According to the research status, the high-entropy alloy is classified, and component types and proportions’ influence on the micro-structure and properties are summarized.The basic theories and calculation methods of high-entropy alloy computer simulation methods are reviewed, and its application in performance prediction is summarized. Finally, the research directions and development prospects of high-entropy alloy design theories and methods are prospected

Key words： high-entropy alloy the design of high entropy alloys component element computer simulation method

Published: 05 July 2019

CLC number:

TG131

About author:: Qian Liureceived his B.E., M.S., and Ph.D. degrees in material processing engineering from Army Academy of Armored Forces, in 1996, 1999, and 2008, respectively.He is an associate professor in Army Aca-demy of Armored Forces.His research interests are surface engineering, corrosion protection, special proces-sing and equipment maintenance and protection.

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	LIU Qian
	WANG Xinyang
	HUANG Yanbin
	XIE Lu
	XU Quan
	HUANG Junxiong

Cite this article:

LIU Qian,WANG Xinyang,HUANG Yanbin, et al. Research Progress on High-entropy Alloy Design and Computer Simulation[J]. Materials Reports, 2019, 33(z1): 392-397.

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http://www.mater-rep.com/EN/ OR http://www.mater-rep.com/EN/Y2019/V33/Iz1/392

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