Zr合金设计方法的研究现状及发展趋势  

Research Status and Prospect of Zr Alloys Design Methods

作　　者：张夫恩[1] 栾佰峰[1] 王轩 张新宇[2] 刘日平[2] Zhang Fuen;Luan Baifeng;Wang Xuan;Zhang Xinyu;Liu Riping(International Joint Laboratory for Light Alloys(Ministry of Education),College of Materials Science and Engineering,Chongqing University,Chongqing 400044,China;State Key Laboratory of Metastable Materials Science and Technology,Yanshan University,Qinhuangdao 066004,China)

机构地区：[1]重庆大学材料科学与工程学院轻合金国际联合实验室,重庆400044 [2]燕山大学亚稳态材料科学与技术国家重点实验室,河北秦皇岛066004

出　　处：《稀有金属材料与工程》2020年第5期1819-1824,共6页Rare Metal Materials and Engineering

基　　金：国家自然科学基金(U1867202,51531005,51421001);中央高校基础研究基金(106112017CDJQJ138803)。

摘　　要：Zr合金具有高硬度、高熔点、低热膨胀系数、耐腐蚀性好和热中子截面吸收低等优良的特性,因此被逐渐开发应用于核工业、航空航天、生物医学等领域。本研究介绍了Zr合金成分设计方法及研究现状,主要涉及的合金设计方法包括:经验法/半经验法、第一性原理计算法、d电子轨道法以及CALPHAD法。其中,重点介绍了第一性原理计算涉及的Zr合金的研究方法及现状。借助有效的合金设计方法和高效的计算机运算可以更加有效、系统地了解材料力学行为特性与微观结构之间的关系,为合金成分设计提供理论依据。结合国内外Zr合金设计方法的研究进展与成果,探讨了Zr合金设计领域的研究发展趋势。Zr alloy has been gradually developed and applied in nuclear industry,aerospace,biomedicine and other fields,just for its excellent characteristics,such as high hardness,high melting point,low thermal expansion coefficient,corrosion resistance and low thermal neutron absorption cross section.In this paper,the Zr alloys research status of composition design methods,including empirical/semi-empirical method,first-principles calculation method,d-electron orbital method and CALPHAD method,are introduced.The research methods and current situation of Zr alloy involved in first-principles calculation are mainly introduced.With the aid of the alloy design model and computer operation,the relationship between the mechanical behavior and microstructure of materials can be effectively and systematically understood,providing a theoretical basis for alloy composition design.Combined with the research progress and achievements of Zr alloy design methods,the research and development trend of Zr alloy design is briefly discussed.

关 键 词：ZR合金 合金成分设计 第一性原理计算 晶体结构模型 力学性能 

分 类 号：TG146.414[一般工业技术—材料科学与工程]