摘要
随着材料基因组计划(MGI)及集成计算材料工程(ICME)的快速发展,材料设计已经从过去的经验试错法转变为基于数据库、计算模型、高通量实验的集成设计。本文回顾了国内外钛合金的发展历史与合金化思路,发现以Al、Zr、Sn、Mo、V、Cr、Fe多元素复合强化的近合金成为高性能合金发展趋势。在此基础上本文对钛合金的设计方法进行了总结,其中包含基于经验/半经验理论的试错法、Mo当量法、e/a法以及团簇-连接原子模型法和基于基础理论计算的Bo-Md方法和CALPHAD方法。最后,文章对结合第一性原理(ab-initio)、计算热力学(Calphad)、晶体塑性有限元模拟(CP-FEM)的集成计算材料设计方法进行了介绍,并对该方法在钛合金设计中的应用前景进行了展望。
In recent years, material design approach is being changed from trial and error experiments to integrated calculation based on computational models in synergy with the rapid development of materials genome initiative(MGI) and integrated computational materials engineering(ICME). High specific strength, outstanding corrosion resistance and good fatigue properties make titanium alloys widely used as structural material for aerospace and implants for biomedical area. This paper reviews the development history and alloying methodology of titanium alloys. The near alloys with addition of multi elements such as Al, Zr, Sn, Mo, V, Cr and Fe is becoming more and more attractive. Several design approaches were summarized in this paper, including Mo equivalent method, e/a method and "cluster-plus-glue-atom" model based on empirical methodology, and some method based on computational thermodynamics or first principles. Finally, the integrated calculation model of computational design used for hierarchically structured materials was discussed in detail and the potential application of this approach in titanium alloy design was analyzed.
作者
朱文光
辛社伟
吴迪
陈威
张聪惠
Zhu Wenguang;Xin Shewei;Wu Di;Chen Wei;Zhang Conghui(School of Metallurgical Engineering,Xi'an University of Architecture and Technology,Xi'an 710055,China;Northwest Institute for Nonferrous Metal Research,Xi'an 710016,China;School of Metallurgy and Environment,Central South University,Changsha 410083,China;State Key Laboratory for Mechanical Behavior of Materials,Xi’an Jiaotong University,Xi’an 710049,China)
出处
《稀有金属材料与工程》
SCIE
EI
CAS
CSCD
北大核心
2021年第6期2229-2236,共8页
Rare Metal Materials and Engineering
基金
国家自然科学基金(51804241)
陕西省重点研发项目(2019ZDLGY05-03)。
