K-0103 スラブモデルを適用したマグネシウムの第一原理すべり変形計算(J01-1 第一原理強度解析)(J01 第一原理計算・分子動力学法による材料強度評価)

概要

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The light weight and high specific strength magnesium alloys are important as structural materials. However, magnesium and magnesium alloys have low plastic formability. It is important to understand the deformation mechanism to improve their plasticity. In the behaviors of slip deformation and dislocation motions, the critical and effective parameter is the generalized stacking fault (GSF) energy. The GSF energy is identified with the energy necessary to ideal slip, and shear strength of real materials should increase as the GSF energy increases. In this work, the GSF energies on basal plane and prismatic plane in magnesium are calculated by ab initio pseudopotential method. Especially, we investigate the effect of the relaxation of strain normal to slip plane using periodic model and slab model.
一般社団法人日本機械学会の論文
2001-08-22