Vitrification and Crystallization of Phase-Separated Metallic Liquid

Abstract

Abstract:The liquid-liquid phase separation (LLPS) behavior of Fe 50 Cu 50 melt from 3500 K to 300 K with different rapid quenching is investigated by molecular dynamics (MD) simulation based on the embedded atom method (EAM). The liquid undergoes metastable phase separation by spinodal decomposition in the undercooled regime and subsequently solidifies into three different Fe-rich microstructures: the interconnected-type structure is kept in the glass and crystal at a higher cooling rate, while the Fe-rich droplets are found to crystalize at a lower cooling rate. During the crystallization process, only Fe-rich clusters can act as the solid nuclei. The twinning planes can be observed in the crystal and only the homogeneous atomic stacking shows mirror symmetry along the twinning boundary. Our present work provides atomic-scale understanding of LLPS melt during the cooling process.

Unusual effect of high pressures on phase transformations in Ni62Nb38 alloy

“…In addition, this effect is unusual in that a similar phase separation in binary and ternary metallic systems based on Fe, Al, Cu, and Ni was previously found only for steady-state non-equilibrium conditions when the system is under a moderate pressure (less than 1 × 10 4 atm) and torsion load [21,22,37,38,39,40]. For example, the phase separation under compression and heating were observed earlier in experimental and simulation studies of binary Fe-Cr [41], Fe-Cu [42], and Cu-Co [43] alloys as well as multicomponent Fe-Cu-Ge [44] and LiFePO 4 [45] alloys. Pressure-induced amorphization is most often found in various rocks and minerals formed in the earth entrails [46].…”

Molecular Simulations of Sputtering Preparation and Transformation of Surface Properties of Au/Cu Alloy Coatings Under Different Incident Energies

“…Developed by Daw et al [34], the EAM potential is a potential function model used to calculate the interaction between metal atoms [35][36][37]. It is based on the density functional theory, which considers that the electron density near a given atom is the sum of the electron densities of that atom and other atoms around it.…”