Molecular dynamics simulation of Germania (GeO₂) melt at different densities has been carried out to investigate the microstructural transformation, polyamorphism and structural heterogeneity. The structure of GeO₂ is studied by GeO_x basic units and their cluster. The simulation results show that the structure of GeO₂ is formed by GeO_x structural units linking to each other via with corner-sharing, edge-sharing, face-sharing bond. The polyamorphism and structural heterogeneity in GeO₂ depend on fraction of GeO_x units and distribution of GeO_x cluster. The relationship between structure and density is analyzed via the change of pair radial distribution function (PRDF). The edge- and face-sharing bonds are responsible for the first peak splitting of Ge–Ge PRDF. The location of the two first sub-peaks of Ge–Ge PRDF corresponds to the length of edge- and corner-sharing bonds.

进行了不同密度的德国锗（GeO ₂）熔体的分子动力学模拟，以研究其微观结构转变，多态性和结构异质性。通过GeO _x基本单元及其簇研究GeO ₂的结构。仿真结果表明，GeO ₂的结构是由GeO _x结构单元通过角共享，边缘共享，面共享键相互链接而形成的。在所述的GeO和polyamorphism异质结构₂依赖的的GeO分数_X的GeO的单元和分配_X簇。通过改变成对径向分布函数（PRDF）来分析结构与密度之间的关系。边缘和面共享键负责Ge-Ge PRDF的第一个峰分裂。Ge–Ge PRDF的两个第一个子峰的位置对应于边角共享键的长度。