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中国物理学会期刊

NiZr, AlZr和BCr相局域原子短程序特征

CSTR: 32037.14.aps.63.066101

Local atomic short-range-order features of NiZr, AlZr and BCr crystalline phases

CSTR: 32037.14.aps.63.066101
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  • 晶体和非晶合金具有以近邻多面体团簇为特征的微结构,这些团簇包含有形成其母相的空间局域原子短程序结构信息. 本文正是从局域原子团簇特征出发,详细分析了传统晶体相描述中具有相同结构的NiZr,AlZr和BCr相,结果表明它们却具有不同的局域原子特征. 这种不同可能是由单胞大小及原子占位略有不同造成的. 由于这种不同于传统的晶体学描述方法给出了微观结构特点,对晶体相的重新认知及材料设计会大有帮助.

     

    Crystalline and non-crystalline alloys are characterized by specific nearest-neighbor coordination polyhedral clusters representing the local tomic short-range-order features of their parent phases. In this paper, NiZr, AlZr and BCr crystalline phases are investigated from the view of clusters because they have the same structures described by traditional crystallography. The result is that they have the different local atomic features, which are likely to be due to the slight differences in the size of unit cell and atomic position. Different from traditional crystallography, this description gives the structure information about short-range-order of that phase, so it can provide a new idea for phase classification and material design.

     

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