粒界グルービングの分子動力学による解析

概要

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Groove formation at grain boundaries in crystalline aluminum is simulated by computer molecular dynamics. A bicrystal model with a [001] (310) Σ=5 tilt grain boundary and a polycrystal model are used for simulations. The simulations show that a groove forms at the intersection of the grain boundary and surface even without tensile stress. The simulation results also show that the grain boundary groove is more likely to form when the temperature or tensile stress increases, or when grain boundary annihilation occurs. We found that the likelihood of the groove formation mainly depends on the ratio of the grain boundary diffusion at the intersection to surface diffusion. When this ratio increases, the groove is more likely to form. This tendency is confirmed by investigating the effect of temperature distribution on the groove formation.
社団法人日本機械学会の論文
1995-06-25