An experimental and molecular dynamics study on the formation of low- energy grain boundaries induced by grain rotation during rapid solidification

NJ Wang and YX Zhang and Y Wang and F Fang and TM Wu and L Chen and J Kang and GD Wang and G Yuan, MATERIALS LETTERS, 352, 135116 (2023).

DOI: 10.1016/j.matlet.2023.135116

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.

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