203 第一原理計算による強加工によるGrain Subdivisionの定量解析(OS15.電子・原子・マルチシミュレーションに基づく材料特性評価(1),オーガナイズドセッション)

概要

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First principles calculations on symmetric tilt grain boundaries of Al have been carried out in a systematic manner as a function of misorientation to obtain physical insight as to how refinement of existing grains, which is referred to as grain subdivision, takes place under severe plastic deformation through dynamics of numerous dislocations. Three dimensional local atomic coordination in the vicinity of grain boundaries were determined and it is found that, although it is widely believed that high angle grain boundaries which usually described by coicidence site lattice (CSL) model, cannot be decomposed into individual dislocations due to its kite-shaped structure on a grain boundary plane, the high angle CSL grain boundary can be transformed into the low-angle like grain boundary with aligned dislocation by slightly adjusting local atomic coordination. This indicates that, both low angle and high angle grain boundaries can to be assessed from viewpoint of dislocation when grain boundary evolution under severe plastic deformation is investigated.
一般社団法人日本機械学会の論文
2008-11-01