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原子环境计算
Atomic Environment Calculation (AEC) is a computation method for calculating atomic environment properties of every atom in any crystal. These properties include types of neighboring atoms and their spatial distribution, bond lengths sorted in an ascending order, atomic space coordination number, and atomic pair coordination number. AEC can output bond data for each type of atom, which is equivalent to giving a description of local cluster structure in the crystal.

  • 中国石油大学(华东),教授

    • 工程材料

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