Spatial heterogeneity in liquid–liquid phase transition

Abstract

Molecular dynamics simulations are performed to investigate the liquid-liquid phase transition (LLPT) and the spatial heterogeneity in Al-Pb monotectic alloys. The results reveal that homogeneous liquid Al-Pb alloy undergoes an LLPT, separating into Al-rich and Pb-rich domains, which is quite different from the isocompositional liquid water with a transition between low-density liquid (LDL) and high-density liquid (HDL). With spatial heterogeneity becoming large, LLPT takes place correspondingly. The relationship between the cooling rate, relaxation temperature and percentage of Al and the spatial heterogeneity is also reported. This study may throw light on the relationship between the structure heterogeneity and LLPT, which provides novel strategies to control the microstructures in the fabrication of the material with high performance.

Density dependent structural phase transition for confined copper: origin of the layering

“…[10][11][12] Confinement, under which rich and peculiar phase behaviors occur that deviate substantially from their three-dimensional counterparts, has also been reported to be the cause of phase transitions. [13][14][15][16][17][18] For example, a liquid to solid phase transition induced by progressive confinement has been observed by a multitude of simulation results. 19,20 Confinement can also lead to a solid to solid phase transition, the nucleation process of which is at odds with classical nucleation theory.…”

Metastable phase separation and rapid solidification of undercooled Co 40 Fe 40 Cu 20 alloy

“…The liquid phase separation phenomena have been extensively studied [1][2][3][4][5] and their significant effect on structures and properties of various materials have been revealed. [6][7][8][9][10][11][12][13] As the great potential application of high entropy alloys and bulk metallic glasses, liquid phase separation is attracting more and more attention. [14,15] It is interesting that some peritectic and eutectic alloys characterized by a large positive enthalpy of mixing and a nearly flat liquidus curve show a miscibility gap in the metastable undercooled liquid, such as Co-Cu [16] and Fe-Cu.…”