An Experimental and Molecular Dynamics Study on the Formation of Low-Energy Grain Boundaries Induced by Grain Rotation During Rapid Solidification

The interaction between the massive 6-Fe nuclei during rapid solidification is studied through atomization and molecular dynamics simulation of Cu-Fe monotectic alloys, based on its liquid separation behavior. The experimental results showed that E1/3/9 grain boundaries (GBs) with lower interfacial energy are preferentially expressed. MD results further proved that 6-Fe nuclei in liquid Cu can rotate to E1/3 relationship, following the boundary energy reduction path. Therefore, the mechanism of special grain boundary formation through grain rotation in rapid solidification processes is demonstrated.