201 第一原理計算による FCC 金属の理想せん断強度評価  [in Japanese] First-principle study on ideal strength of fcc metals  [in Japanese]

Ideal pure and simple shear strength of fcc metals (Al, Cu, Ni, Ag) are estimated by first principle density functional calculations. For Al and Cu, even though Al has smaller modulus than Cu in 111<112^^-> shear, its ideal pure and simple shear strength is higher, By a comparative analysis of stacking fault energy, ion relaxation, and valence charge redistribution, we find directional bonding a Ai induces such high ideal shear strength. On the other hand, Su, Ni, and Ag do not have basically directional bonding.