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2008•Journal of Chongqing University of Arts and SciencesRequires access

Study on Negative Heat Capacities of Au-Ag Alloy Nanoclusters by Molecular Dynamics Simulation

Zhengfu Cheng

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Abstract

The thermodynamic properties of AuN-XAgX(N=144;X=0,24,48,72,96,120 and 144) nanoclusters during melting processes have been studied by molecular dynamics simulation technique within the framework of EAM and potential for noble metal.The results indicates that all the nanoclusters have negative heat capacity around the melting points,which is generated by the abrupt structure jump.

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What this paper is about

The thermodynamic properties of AuN-XAgX(N=144;X=0,24,48,72,96,120 and 144) nanoclusters during melting processes have been studied by molecular dynamics simulation technique within the framework of EAM and potential for noble metal.The results indicates that all the nanoclusters have negative heat capacity around the melting points,which is generated by the abrupt structure jump.

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Available abstract

The thermodynamic properties of AuN-XAgX(N=144;X=0,24,48,72,96,120 and 144) nanoclusters during melting processes have been studied by molecular dynamics simulation technique within the framework of EAM and potential for noble metal.The results indicates that all the nanoclusters have negative heat capacity around the melting points,which is generated by the abrupt structure jump.

Key concepts: Nanoclusters, Molecular dynamics, Alloy, Melting temperature, Materials science, Heat capacity, Jump, Metal

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