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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。
The starting point for the design of the amorphous phase (fcc-Zr2Ni) as the Zr-based amorphous component is that the Zr2Ni phase still retains the icosahedral structure of amorphous clusters or quasicrystals, Genetic. Therefore, the Zr-Al-Ni, Zr-Al-Ni-Cu, Zr-Al-Ni-Cu-Nb multi-Zr-based amorphous components were designed based on the cluster theory. In addition, Zr or Ni atoms in the Zr2Ni model can be replaced by different atoms in order to meet the needs of different applications of Zr-based amorphous materials. Once the local density of atoms and substituted atoms is very high, there is a possibility of replacing the atoms. Then the recursive method is used to judge the amorphous formation ability of the element. Finally, the experimental design is used to verify whether the designed composition meets the performance requirements.