Novel insight into the composition design and microstructure evolution of immiscible alloys: Establishing a thermodynamics/dynamics coupling analysis method

BW Dong and ZP Wu and ZD Hang and HK Wang and NX Li and JC Jie and TJ Li, JOURNAL OF MOLECULAR LIQUIDS, 409, 125469 (2024).

DOI: 10.1016/j.molliq.2024.125469

A thermodynamics/dynamics coupling analysis method is proposed based on CALPHAD/MD methods. The microstructure evolution of the Cu-24Pb-xAl immiscible alloys is deeply investigated under both equilibrium and non- equilibrium solidification using this method. The influence of Al content on the morphology evolution of the secondary phases in the Cu-24Pb-xAl alloys is revealed by comparing experiments and the coupling analysis method. Increasing Al content in the Cu-24Pb-xAl alloys promotes the transformation of secondary phases from a continuous network to a granular morphology by intensifying the segregation of Pb atoms and the liquid-liquid phase separation. The phase transformation process is investigated in situ. The calculation results based on this method present a high degree of compatibility with the experiments which present a solidification rate higher than that of CALPHAD and lower than that of MD. The combination of CALPHAD and MD contributes to the establishment of a multiscale research method for the solidification of alloys. Simultaneously, the coupling analysis method is universal and will provide guidance for the composition design and microstructure regulation of new immiscible alloys.

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