Yasushi Shibuta¹; ¹The University of Tokyo

Kinetics in microstructure formation is investigated by large-scale and long-time molecular dynamics (MD) simulations of contentious processes of nucleation, solidification and grain growth in a submicrometer-scale system. The grain growth exponent obtained from the MD simulation deviates from the ideal value since anisotropic effects in the grain boundary properties are inherently included in MD simulations. The dominant factor for the deviation from the ideal grain growth is closely discussed. Moreover, our new achievement bridging the gap between atomistic and microstructural scale simulations is introduced, in which molecular dynamics-generated atomic configurations of microstructure are converted into interfacial profiles of the phase-field model. [1] Okita et al., Acta Mater 153 (2018) 103. [2] Miyoshi et al., Comp. Mater. Sci. 152 (2018) 118.