体心立方Fe中微裂纹与间隙型位错环相互作用的分子动力学模拟
梁晋洁1,2, 高宁2,3, 李玉红1()
Interaction Between Interstitial Dislocation Loop and Micro-Crack in bcc Iron Investigated by Molecular Dynamics Method
LIANG Jinjie1,2, GAO Ning2,3, LI Yuhong1()

图4. d=4.5 nm、k=0.05、R=1.5 nm时位错环与微裂纹相互作用的分子动力学演化过程
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Fig.4. Evolutions of the system with the interaction between the dislocation loop and micro-crack with d=4.5 nm, k=0.05 and R=1.5 nm(a) formation of 1/2[111ˉ] dislocation segment after the conjugate gradient method relaxation (b~e) molecular dynamics simulation results at 300 K under 0 Pa pressure with time up to 1.8×10-11 s, 3×10-11 s, 3.09×10-11 and 3.12×10-11 s, respectively (The movements of dislocation loop and 1/2[111ˉ] dislocation segment along their Burgers vectors are shown in Figs.4b and c, respectively. The interactions between them are shown in Figs.4d and e)