合金成分设计是发展新型复杂合金材料的关键步骤.系统总结了在材料研发过程中常用的合金设计方法,如Hume-Rothery规则、当量法、电子理论、计算机模拟计算等,并详细介绍了各设计方法的理论基础和适用范围.同时指出了基于原子团簇的合金设计方法——“团簇加连接原子”结构模型,得出了该方法在不同合金材料领域中的应用具有普适性的结论,为多元复杂合金成分设计提供了一个更为简单的途径.
Composition design is the key step for developing novel complex alloy materials. The traditional composition design methods, such as Hume-Rothery rule, equivalent methods, electron theories and computer simulation, etc. , are generalized comprehensively, where the theoretical basis and the applied fields of each method are introduced. A method " cluster-plus-glue-atom" structural model based on atomic cluster, is pointed out to provide a simple way for designing multiple component complex alloys. This cluster method has been verified to be valid in different alloy systems.