Abstract
Since it is not straightforward to directly observe nucleation at the initial stage of solidification in experiments, investigation from computational approach is strongly desired. In this study, influence of grain refiner in heterogeneous nucleation of undercooled Al melt is investigated by molecular dynamics calculations. Particularly, we focus temperature, size of the refiner, and anisotropy in surface orientation of the grain refiner. It is confirmed that the growth rate of FCC Al at the (0001) plane is much larger than that at the other surfaces at all temperatures calculated in this study. Moreover, epitaxial growth of HCP Al appears on the surface of and planes at large undercooling temperature.
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