|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||Molecular Dynamics Approach to Solidification Microstructure
||Yasushi Shibuta, Shinji Sakane, Eisuke Miyoshi, Shin Okita, Tomohiro Takaki, Munekazu Ohno
|On-Site Speaker (Planned)
Large-scale molecular dynamics simulations of nucleation, solidification and grain growth for pure iron are performed on a GPU-rich supercomputer. Heterogeneity in homogeneous nucleation such as many twin boundaries and satellite small grains is found in very-large scale simulation with billion atoms . Moreover, the volume change of grains is directly estimated in 2D and 3D grain growths . For the 2D grain growth, grains with seven and more neighboring grains generally grow larger, whereas those with five and less neighboring grains shrink and disappear. For the 3D grain growth, threshold number of neighboring grains is estimated to be approximately 14. In addition, we focus on the grain growth stagnation after the number of grains in the calculation system becomes unchanged.  Y. Shibuta, et al, Nature Comm. 8 (2017) 10.  S. Okita, Y. Shibuta, ISIJ Int. 56 (2016) 2199.
||Planned: Supplemental Proceedings volume