A comparative study on melting of core-shell and Janus Cu-Ag bimetallic nanoparticles

作者：Li, Siqi; Qi, Weihong^*; Peng, Hongcheng; Wu, Jizheng

来源：Computational Materials Science, 2015, 99: 125-132.

DOI：10.1016/j.commatsci.2014.12.007

• Nanoalloys
• Thermodynamic properties
• Atomic simulation

Molecular dynamics simulations have been used to explore the melting process of Ag-Cu nanoparticles (NPs) with core-shell and Janus structures. The melting temperature of Cu/Ag core/shell NPs will be lower than that of pure Cu NPs of same size due to the before melted Ag atoms. However, the Ag/Cu core/shell NPs have higher thermal stability than pure Ag NPs of same sizes. The melting of core-shell NPs depends on the ratio between particle size and shell thickness. The melting of Janus NPs starts from the Ag atoms, independent of the composition of Ag. During the melting process of Janus Ag-Cu NPs, the melted Ag atoms will flow around Cu atoms, promoting the melting of Cu. The melting temperature of Janus NPs depends on the Ag-Cu ratio.

• 出版日期2015-3
• 单位中南大学