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Effects of Ag Atomic Segregation from Different Planes on the Size-Dependent Melting of Ag–Pd Clusters

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Abstract

This paper studies the effects of Ag atomic segregation from the inner (100) or (111) planes on the melting of Ag–Pd clusters with different sizes by a molecular dynamics simulation. The results show that Ag segregation leads to the atomic energy decreases with increasing the temperature. Furthermore, the effect of the (100) segregation is larger than that of the (111) segregation. Meanwhile, the influence of segregation on the energy decreases with increasing the cluster size. The melting points of the clusters without segregation are the largest, followed by the clusters with a (111) and (100) segregation.

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Acknowledgment

This work was supported by the National Natural Science Foundation of China (Grant Nos. 51101034, 51271056, 51425401) and the Fundamental Research Funds for the Central Universities (Grant Nos. N140901001, N140902001, N130509002).

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Authors and Affiliations

  1. Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, 314 Box, Shenyang, 110819, China

    Kai Wang, Guojian Li, Chun Wu, Xudong Sui, Qiang Wang & Jicheng He

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  1. Kai Wang
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  2. Guojian Li
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  3. Chun Wu
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  4. Xudong Sui
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  5. Qiang Wang
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  6. Jicheng He
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Correspondence to Qiang Wang.

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Wang, K., Li, G., Wu, C. et al. Effects of Ag Atomic Segregation from Different Planes on the Size-Dependent Melting of Ag–Pd Clusters. J Clust Sci 27, 55–62 (2016). https://doi.org/10.1007/s10876-015-0898-2

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  • DOI: https://doi.org/10.1007/s10876-015-0898-2

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