分子動力学シミユレーションによるマルテンサイト変態の核形成サイト・メカニズムの調査

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  • Investigation of nucleation site and nucleation mechanism of martensite transformation by molecular dynamics simulation

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<p>In order to investigate the nucleation mechanism of deformation-induced martensitic transformation, a polycrystalline model with fcc structure was tensile deformed at various temperatures via molecular dynamics simulations. The macroscopic nucleation stress of martensitic transformation increased linearly with temperature below the MσS point, but deviated from the linear relationship above the MσS point. The deviation is caused by the effect of lattice defects by the plastic deformation. In order to clarify the nucleation mechanism, the microscopic nucleation stress and the defect proportion at the nucleation site are directly measured, and we found three possible nucleation mechanisms: nucleation by crossing the energy barrier due to stress concentration in the defect-free region, nucleation by crossing the energy barrier due to stress concentration at the grain boundary, and nucleation at low stress due to the lowering of the energy barrier by the grain boundary structure.</p>

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