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A molecular dynamics study on Pt-Au alloy clusters of thermodynamic properties

Zhi Zhang

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Abstract

The melting processes of gold and platinum nanoclusters containing different atoms were simulated by using molecular dynamics.The relationship between the melting point and the combination of the clusters was studied and found that the melting point do not decrease monotonically with cluster combination.The results indicate that all the nanoclusters have negative heat capacity around the melting points.The reason of leading to this phenomenon analyzed by computers.

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What this paper is about

The melting processes of gold and platinum nanoclusters containing different atoms were simulated by using molecular dynamics.The relationship between the melting point and the combination of the clusters was studied and found that the melting point do not decrease monotonically with cluster combination.The results indicate that all the nanoclusters have negative heat capacity around the melting points.The reason of leading to this phenomenon analyzed by computers.

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Available abstract

The melting processes of gold and platinum nanoclusters containing different atoms were simulated by using molecular dynamics.The relationship between the melting point and the combination of the clusters was studied and found that the melting point do not decrease monotonically with cluster combination.The results indicate that all the nanoclusters have negative heat capacity around the melting points.The reason of leading to this phenomenon analyzed by computers.

Key concepts: Nanoclusters, Melting point, Molecular dynamics, Cluster (spacecraft), Melting-point depression, Alloy, Materials science, Chemical physics

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