Molecular dynamics study of composition dependence of solid-liquid interfacial energy of Fe-Ni binary alloy

K Ueno and Y Shibuta, INTERNATIONAL CONFERENCE ON MODELLING OF CASTING, WELDING AND ADVANCED SOLIDIFICATION PROCESSES (MCWASP XV), 861, 012064 (2020).

DOI: 10.1088/1757-899X/861/1/012064

Interfacial properties strongly affect solidification microstructure of practical alloy materials. Therefore, it is essential to understand interfacial properties including composition dependence for target alloys. In this study, composition dependence of solid-liquid interfacial energy of Fe-Ni alloy is investigated by molecular dynamics simulations in conjunction with a capillary fluctuation method. The solid-liquid interfacial energy of Ni-rich composition taking FCC-solid phase is larger than that of Fe-rich composition taking BCC-solid phase. Moreover, solid-liquid interfacial energy has a high anisotropy at the composition with FCC-solid phase compared to the one with BCC-solid phase.

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