分子动力学模拟中采用了微动弹性带方法计算缺陷跃迁的最小能量路径。通过采取本研究所使用势函数和分子动力学计算方法计算出的α-Fe中空位的第一近邻和第二近邻跃迁特征能量与文献计算结果和实验值进行对比，对结果的可靠性进行了验证。

In the molecular dynamics simulation, the fretting elastic band method is used to calculate the minimum energy path of the defect transition. The reliability of the results is verified by comparing the characteristic energies of the first and second nearest neighbor transitions of the vacancies in α-Fe calculated by using the potential function and molecular dynamics method in this study with the results calculated in the literature and the experimental values.