The non-equilibrium crystallization of Cu3Au with cooling rate near criticality

The non-equilibrium crystallization of liquid Cu3Au is researched by molecular dynamics here. It is shown that only when cooling rate is lower than 2.0 × 1012 K/s, measurable crystal can be found in the model. Ozawa model can well describe the non-isothermal crystallization kinetic process of the Cu3Au. Structure analysis indicates that face-centered cubic (FCC), hexagonal close-packed (HCP) and body-centered cubic (BCC) exist in the crystal. As metastable phase, BCC structure is in a way that cohesion {111} of stable phase (FCC) with its {110} to reduce the misfit of the interface. By analysis the evolution of disorder structure, it can be found that many short-range order (SRO) clusters form accompany with the crystallization process. Additionally, these SRO clusters with structure close to crystal promote the nucleation and growth process of crystal.

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