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

G Chen and CJ Wang and P Zhang, COMPUTATIONAL MATERIALS SCIENCE, 112, 80-86 (2016).

DOI: 10.1016/j.commatsci.2015.10.016

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 x 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. (C) 2015 Elsevier B.V. All rights reserved.

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