- Conference date: 3–7 September 2007
- Location: Moscow (Russia)
The process of homogeneous crystallization is investigated using molecular dynamics method. The models consisted of 2048 atoms in the basic cube with periodical boundary conditions. Many‐particle inter‐atomic potential of Embedded Atom Model (EAM) was applied for Ag. The models were constructed at zero pressure. The structure of the models was inspected using the local order parameter, structure factor value, the number of solid‐like atoms and the energy. At the temperatures lower than 802 K the crystallization via cluster mechanism was observed in isothermal conditions with the creation of solid phase having fcc crystal structure. The crystallization mechanism differs from commonly applied classic nucleation mechanism. It consists of the steady growth of crystal‐like atoms number, creation of clusters from these atoms and the growth of these clusters. The clusters have very loose structure at the initial step of the process and the linear size of the clusters approaches very quickly the basic cube size. Crystal‐like atoms play the leading role in the cluster solidification. The bottom limit of supercooling is discovered and calculated for Ag This is the temperature above which the cluster mechanism can't work.
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