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Doping Effect on Melting Temperature for Gold–Copper Bimetallic Nanocluster and Dependency on Bulk Melting Temperature to the Potential Model

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Crystallizing Ideas – The Role of Chemistry

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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Authors and Affiliations

  1. School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), 19395-5531, Tehran, Iran

    Farid Taherkhani

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  1. Farid Taherkhani
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Correspondence to Farid Taherkhani .

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Editors and Affiliations

  1. Dep. of Chemistry, Fac. of Science, University of Mauritius, Reduit, Mauritius

    Ponnadurai Ramasami

  2. Dept of Chemistry, Faculty of Scien, University of Mauritius, Reduit, Mauritius

    Minu Gupta Bhowon

  3. Dept. of Chemistry, Faculty of Scie, University of Mauritius, Reduit, Mauritius

    Sabina Jhaumeer Laulloo

  4. Reduit, Mauritius

    Henri Li Kam Wah

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Taherkhani, F. (2016). Doping Effect on Melting Temperature for Gold–Copper Bimetallic Nanocluster and Dependency on Bulk Melting Temperature to the Potential Model. In: Ramasami, P., Gupta Bhowon, M., Jhaumeer Laulloo, S., Li Kam Wah, H. (eds) Crystallizing Ideas – The Role of Chemistry. Springer, Cham. https://doi.org/10.1007/978-3-319-31759-5_6

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