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本文指出合金相结构的描述取决于所采用的结构单元序列.在系统合金科学(SSA)的合金相特征原子排列晶体学中,合金相的结构是采用对称要素序列和特征原子序列相结合的方式来描述,称之为合金相的特征原子排列结构.它除了能显示结构的对称性之外,还可以给出格点上的特征原子种类以及合金相微观不均匀性.每个特征原子都有其自身的特性:近邻原子组态,势能,体积和电子结构等.合金相的微观不均匀性可以通过特征原子的浓度分布和短程有序参数分布来描述.同时本文对合金相的电子结构和合金相中特征原子的电子结构之间的差异也作了讨论.
This paper states that the description of the alloy phase structure depends on the sequence of the structural elements used.In the system alloy science (SSA) of the alloy phase characteristic atomic alignment crystallography, the alloy phase structure is a combination of symmetrical element sequences and characteristic atomic sequences , Which is called the characteristic atomic arrangement structure of the alloy phase, which can not only show the symmetry of the structure but also the characteristic atomic species and the micro-phase heterogeneity of the alloy lattice at the lattice point Its own characteristics: the near-neighbor atomic configuration, potential energy, volume and electronic structure, etc. Microscopic heterogeneity of the alloy phase can be described by the concentration distribution of the characteristic atoms and the distribution of short-range order parameters.At the same time, the electronic structure and alloy The differences between the electronic structures of the characteristic atoms in the phase are also discussed.