2006Shinjang dashösi ilmiy jurniliRequires access

Study on Molecular Dynamics of Pre-melting of Fe_(55) Cluster

Jun Zhang

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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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What this paper is about

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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Available 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.

Key concepts: Molecular dynamics, Cluster (spacecraft), Melting point, Melting temperature, Dynamics (music), Materials science, Cluster size, Melting-point depression

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