Atomistic characterization of multi nano-crystal formation process in Fe-Cr-Ni alloy during directional solidification: Perspective to the additive manufacturing

Abstract

The directional solidification phenomenon has been observed in conventional castings and state-of-the-art manufacturing processes like additive manufacturing of steel. Precise control of temperature gradient during directional solidification in the additive manufactured components is essential to get growth and evolution of various crystalline structures, which enhance the properties. In this study, we have used molecular dynamics simulation to investigate the directional solidification of Fe-Cr-Ni steel under a wide range of temperature gradients. It is observed that multiple crystal morphology such as single crystal, nano-grains, multiple stacking faults, twins etc. Form during directional solidification depending on the temperature gradient. Evolution of various crystalline structures characterized by adaptive common neighbour analysis, surface area, volume and corresponding dimensionless aspect ratio. The current investigation adds to the pedagogical understanding of the effects of thermal gradients on the evolution characteristics of crystal morphology evolved during modern additive manufacturing processes.