初始晶化相在Zr基非晶成分设计中的应用
Application of Primary Devitrification Phase in Composition Design of Zr-based Amorphous Alloy
李 刚, 刘 丽, 侯俊英
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作者单位：(辽宁工程技术大学 材料科学与工程学院, 辽宁 阜新 123000)
中文关键字：Zr基非晶； fcc-Zr2Ni相； 团簇线； 成分设计
英文关键字：Zr-based amorphous; fcc-Zr2Ni phase; cluster line; component design
中文摘要：以非晶合金的初始晶化相(fcc-Zr2Ni)作为Zr基非晶成分设计出发点，由于Zr2Ni相仍然保留着非晶团簇或准晶中的二十面体结构特征，其团蔟结构存在结构遗传。因此，基于团簇理论进行Zr-Al-Ni、Zr-A1-Ni-Cu、Zr-A1-Ni-Cu-Nb多元Zr基非晶成分设计。此外，为了满足Zr基非晶不同领域的应用，可用不同原子取代Zr2Ni模型中的Zr或Ni原子，一旦原子与被取代原子的局域态密度相似度高，就有替代该原子的可能性，然后利用递归法判断该元素的非晶形成能力，最终通过实验验证所设计的成分是否满足性能要求。
英文摘要：Taking primary devitrification phases (fcc-Zr2Ni) of amorphous alloy as the starting point, the composition design of Zr-based amorphous phase was studied. There is heredity in its clusters structure, fcc-Zr2Ni still retains amorphous clusters or icosahedral structure characteristics of quasicrystal. As a result, amorphous composition of multivariate Zr-based such as Zr-Al-Ni, Zr-A1-Ni-Cu, Zr-A1-Ni-Cu-Nb was designed based on cluster theory. Besides, in order to meet the needs of different fields, replacing Zr or Ni atom in Zr2Ni model with other atoms. Once the local density of state similarity between original atom and current atom is high enough, it is possible for the original atom to be substituted. The glass forming ability of that element was measured by recursive method. Finally, the designed component whether it meets the performance requirement was tested by experiment.