苛刻环境服役涂层相图、相变与材料研发实践-中国材料进展

文章信息/Info

Title:: Phase Diagram, Phase Transformation and Materials Development of Coatings Served in Harsh Environments

作者:: 常可可; 娄明; 徐凯; 陈雷雷; 袁媛; （中国科学院宁波材料技术与工程研究所中国科学院海洋新材料与应用技术重点实验室浙江省海洋材料与防护技术重点实验室，浙江宁波 315201）

Author(s):: CHANG Keke; LOU Ming; XU Kai; CHEN Leilei; YUAN Yuan; （Key Laboratory of Marine Materials and Related Technologies, Zhejiang Key Laboratory of Marine Materials and Protective Technologies, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China）

Keywords:: phase diagram; coating; nonequilibrium; phase transformation; materials design

摘要:: 面向海洋、航空、核能等重大工程中涂层的表面损伤与防护研究，精确的相图与相变信息是高效研发高性能可靠涂层材料的关键。但是，涂层制备一般是非平衡的成相过程，涂层在苛刻环境中服役处于动态相变过程，因此，基于热力学平衡的传统相图计算CALPHAD（CALculation of PHAse Diagrams）方法不再适用于涂层材料设计。概述了涂层相图、相变研究及其应用于涂层材料设计的研究进展，重点评述了耦合CALPHAD、第一性原理计算和高通量实验方法的关键作用；从材料制备、动态服役和数据库指导材料开发3个方面出发，以典型的纯元素、二元、三元和多元材料体系为实例，介绍了亚稳相图模型、相变模拟与相图数据库在涂层材料研发中的应用；最后，提出了苛刻环境服役涂层相图、相变与材料设计目前面临的问题和挑战。

Abstract:: For the research of surface damage and protection in marine, aeronautics, nuclear and other major projects, accurate phase diagram and phase transition information is the key to the efficient and reliable development of high-performance coating materials. However, coatings preparation is generally a non-equilibrium phase formation process, while their service in harsh environments results in dynamic phase transformation. Therefore, the traditional CALPHAD (CALculation of PHAse Diagrams) approach based on thermodynamic equilibrium is no longer suitable for the design of coating materials. In this work, the research progress of coating phase diagram, phase transition and its application in design of coating materials were summarized, with emphasis on the key roles of coupled CALPHAD, first-principles calculations and high-throughput experimental methods. From three aspects (materials preparation, dynamic service and database guided material development) and with typical unary, binary, ternary and multicomponent material systems as examples, the applications of metastable phase formation modeling, phase transformation simulation and phase diagram databases in the research and development of coating materials were introduced. Finally, the challenges of phase diagram, phase transformation and materials design for coatings served in harsh environments were proposed.