Abstract

Molecular dynamics (MD) simulation has been done for the melting temperature of gold–copper bimetallic nanostructure with 55 total gold and copper atom numbers and its bulk alloy. The trend of melting temperature for gold–copper bimetallic nanocluster is not the same as the melting temperature for gold–copper bulk alloy. MD simulation shows that the melting temperature of gold–copper bimetallic nanocluster increases with copper atom fraction. Semi-empirical potential within the tight-binding second moment approximation as new application potential model regarding the melting temperature for gold–copper bulk structure shows better result in comparison with EAM, Sutton–Chen potential and quantum Sutton–Chen potential models.

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