辐照条件下Fe-Cu合金中富Cu析出相的临界形核尺寸和最小能量路径的弦方法计算

刘续希, 柳文波, 李博岩, 贺新福, 杨朝曦, 恽迪

Calculation of Critical Nucleus Size and Minimum Energy Path of Cu-Riched Precipitates During Radiation in Fe-Cu Alloy Using String Method

LIU Xuxi, LIU Wenbo, LI Boyan, HE Xinfu, YANG Zhaoxi, YUN Di

表6 演化50步后不同时刻下团簇空位浓度信息计算结果

Table 6 Calculation results of partial parameters of critical nucleus clusters after 50-step-revolution at different t

t / step RC / nm Min.CV Max.CV - Min.CV Sum.CV 30 1.558 0.00102 8.63 × 10-5 17.149 60 1.763 0.00182 3.89 × 10-4 34.381 90 1.884 0.00229 8.92 × 10-4 51.535 120 2.039 0.00280 1.65 × 10-3 69.190