Study on Molecular Dynamics of Pre-melting of Fe_(55) Cluster
Jun Zhang
Abstract
Jun Zhang
Abstract
Using molecular dynamics simulation,the pre-melting temperature of Fe_55 cluster was studied by the change of root mean squart bond length fluctuation,and the relationship between energy and configuration was discussed.The results show that the surface atoms melt earlier than inner atoms.The two parts of the cluster difused each other at the melting point,and then the system is melt completely.
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Using molecular dynamics simulation,the pre-melting temperature of Fe_55 cluster was studied by the change of root mean squart bond length fluctuation,and the relationship between energy and configuration was discussed.The results show that the surface atoms melt earlier than inner atoms.The two parts of the cluster difused each other at the melting point,and then the system is melt completely.
Key concepts: Molecular dynamics, Cluster (spacecraft), Melting point, Melting temperature, Dynamics (music), Materials science, Cluster size, Melting-point depression