OS0319 第一原理計算によるβ-Sn単結晶の理想せん断強度解析(非立方晶型金属材料の変形現象とそのモデル化,オーガナイズドセッション)

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The ideal shear stress-strain relations in 12 slip systems of β-Sn single crystal have been analyzed using first-principles density functional calculations. The ideal shear strength, Tth, is defined as the maximum of shear stress-strain (τ_<zx>-γ_<zx>) curve where the x- and z-directions are parallel to the slip direction and normal of the slip plane, respectively. The (101)[1^^-01] slip system shows the lowest ideal shear strength of 0.487 GPa of the 12 slip systems. The other shear stress components, τ_<yz> and τ_<xy>, of the (110)[1^^-11]/2, (101)[010], (101)[111^^-], (121)[1^^-01], and (121)[11^^-1]/2 are nonzero while those of the other slip systems are zero during the shear deformation.
2009-07-24