Abstract
A tracing simulation study has been performed on the rule of nucleation and growth of crystals and transition properties of microstructrues of nano-clusters during solidification process for a system consisting of 50000 liquid metal Cu atoms using the molecular dynamics method and Quantum Sutton-Chen many body potential. The bond-type index method of Honeycutt-Andersen (HA)and a new cluster-type index method (CTIM-2)have been used to analyze the bond-type and evolution properties of cluster configuration for metal Cu atoms. It is found that when the cooling rate is 1.0×1013 K/s, the mixed coexistence structures of crystal and amorphous are formed finally in the system, and the glass transition temperature is about 673 K, crystallization starting temperature is 373 K. At the cooling rate of 4.0×1012 K/s, the crystallization starting temperature is 673 K. The crystal structures are mainly formed with the 1421 and 1422 bond-types or with the fcc (12000120) and hcp (1200066) basic clusters formed by these bond-types in the system. Espeically, the fcc (12000120) basic cluster consisting of 1421 bond-type occupies a dominant position in crystal-growth and the forming processes of nano-cluster structures. The processes of nucleation and growth have important effects on the evolution properties of solidification microstructures.
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