1235 多結晶体の形成過程と変形過程のPhase Field Crystalシミュレーション(G01-3 界面とフェーズフィールド法,G01 計算力学)

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  • 1235 Phase Field Crystal Simulation During Formation and Deformation of Polycrystal

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As a numerical tool to investigate material properties, the finite element method (FEM) and the molecular dynamics (MD) method are used widely. However, there is so much difference in space and time scales between the both methods, and it is difficult to perform the numerical simulations in the intermediate scale. The Phase Field Crystal (PFC) method, which has a periodic order parameter that represents a local-time-averaged atomic density field, allows a description of system having diffusive times and interatomic length scales. In this study, we employ PFC model to investigate the defomation behavior of nano-polycrystal structure under the realistic deformation velocity. The polycrystal structures with regular hexagonal grains are prepared by performing solidification PFC simulations.

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