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Effects of pressure on microstructure evolution of liquid Fe-S-Bi alloy during rapid solidification: A molecular
Zhanyu Qi1, Fazhan Wang1, Yuanjun Wang1
1School of Mechanical and Electrical Engineering, Xi'an University of Architecture & Technology, Xi'an, 710055, People's Republic of China.
Abstract:
To understand the effects of pressure on microstructural evolution, a molecular dynamics simulation study has been performed under pressures of 0-20 GPa for liquid Fe-S-Bi alloy during the solidification process. The variations in the radial distribution function, average atomic energy, and H-A bond index of the cooling system are analyzed. The rapid solidification process of liquid Fe-S-Bi alloy into crystalline and amorphous alloys is investigated from different perspective. The results show that the glass transition temperature Tg, the sizes of the MnS atomic groups, and major bond-types increase almost linearly with increasing pressure. In addition, the recovery rate of Bi increased first and then decreased with increasing pressure, reaching a peak of 68.97% under 5 GPa. The manganese sulfide compound is embedded in the alloy with a spindle-shape under 20 GPa, which is a better clusters structure.
