本文提出利用不同壳层所包含的径向原子密度,即单位体积内的原子个数随着径向的分布,来方便而精确地定义团簇,即具有最大径向原子密度的且表面呈现三角密堆结构的完整壳层为第一近邻团簇.最后以Al-Ni-Zr合金相为例说明了该方法的合理性与适用性,及此方法所定义的团簇与非晶形成的关系. In this paper, we propose a convenient and accurate definition of the clusters using the radial atomic density contained in different shells, that is, the distribution of the number of atoms in a unit volume along the radial direction, that is, the clusters with the largest radial atomic density and the surfaces with triangular The complete shell of the close-packed structure is the first neighbor cluster.Finally, the rationality and applicability of this method are illustrated by taking the Al-Ni-Zr alloy phase as an example, and the relationship between the cluster and amorphous formation as defined by this method .