Zr合金设计方法的研究现状及发展趋势

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。

Research Status and Prospect of Zr alloys design methods

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. Especially, 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 at home and abroad, the research and development trend of Zr alloy design is briefly discussed.