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Complex Approach to Atomistic Simulation of the Size Dependences of the Temperature and the Heat of Melting of Co Nanoparticles: Molecular Dynamics and Monte Carlo Method

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Abstract

The size dependences of the temperatures of melting \({{T}_{{\text{m}}}}\) and crystallization \({{T}_{{\text{c}}}}\) of Co nanoparticles and also those of the heat (enthalpy) of melting \(\Delta {{H}_{{\text{m}}}}\) and crystallization \(\Delta {{H}_{{\text{c}}}}\) are studied using a complex approach to atomistic simulation combining the use of the molecular dynamic and Monte Carlo methods. It is established that \({{T}_{{\text{m}}}}\) and \({{T}_{{\text{c}}}}\) decrease linearly with increasing inverse particle radius. The phase transition heats \(\Delta {{H}_{{\text{m}}}}\) and \(\Delta {{H}_{{\text{c}}}}\) also decrease during the transition from the bulk phase to nanoparticles, but it seems this effect is non-scalable.

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REFERENCES

  1. I. González, J. C. De Jesus, C. U. de Navarro, and M. Garcia, Catal. Today 149 (3–4), 352 (2010).

    Article  Google Scholar 

  2. N. Bhattarai, G. Casillas, S. Khanal, et al., MRS Commun. 3 (3), 177 (2013).

    Article  CAS  Google Scholar 

  3. K. Dick, T. Dhanasekaran, Zh. Zhang, and D. Meisel, J. Am. Chem. Soc. 124 (10), 2312 (2002).

    Article  CAS  Google Scholar 

  4. G. S. Zhdanov, Izv. Akad. Nauk SSSR, Ser. Fiz. 41 (5), 1004 (1977).

    CAS  Google Scholar 

  5. R. Kofman, P. Cheyssac, Y. Lereach, and A. Stella, Eur. Phys. J. D 9 (1), 441 (1999).

    Article  CAS  Google Scholar 

  6. W. H. Qi and M. P. Wang, Mater. Chem. Phys. 88 (2–3), 280 (2004).

    Article  CAS  Google Scholar 

  7. V. M. Samsonov, S. S. Kharechkin, S. L. Gafner, L. V. Redel, and Yu. Ya. Gafner, Crystallogr. Rep. 54 (3), 526 (2009).

    Article  CAS  Google Scholar 

  8. V. M. Samsonov, S. A. Vasil’ev, I. V. Talyzin, and Yu. A. Ryzhkov, JETP Lett., 103 (2), 94 (2016).

    Article  CAS  Google Scholar 

  9. Y. D. Qu, X. L. Liang, X. Q. Kong, and W. J. Zhang, Phys. Metals Metallogr. 118 (6), 528 (2017).

    Article  CAS  Google Scholar 

  10. L. F. Cao, G. Y. Xu, D. Xie, M. X. Guo, L. Luo, Z. Li, M. P. Wang, Phys. Status Solidi 243 (12), 2745 (2006).

    Article  CAS  Google Scholar 

  11. D. N. Sokolov, N. Yu. Sdobnyakov, and P. V. Komarov, Vestn. TvGU, Ser. Fiz., No. 16, 54 (2012).

  12. D. N. Sokolov, V. S. Myasnichenko, A. P. Andriichuk, V. V. Kulagin, and N. Yu. Sdobnyakov, Phys. Chem. Aspects Study Clusters, Nanostruct. Nanomater. 8, 363 (2016).

  13. A. Yu. Kolosov, D. N. Sokolov, V. S. Myasnichenko, N. Yu. Sdobnyakov, P. M. Ershov, and A. A. Khort, Phys. Chem. Aspects Study Clusters, Nanostruct. Nanomater. 9, 252 (2017).

  14. C. Kittel, Introduction to Solid State Physics, 2nd ed. (Wiley, New York, 1956; Gostekhizdat, Moscow, 1957).

  15. Encyclopedia of Chemistry, Ed. by I. L. Knunyants (Sovetskaya Entsiklopediya, Moscow, 1990), Vol. 2 [in Russian].

    Google Scholar 

  16. Physical Quantities. A Handbook (Energoatomizdat, Moscow, 1991), p. 288 [in Russian].

  17. V. M. Samsonov, A. G. Bembel, A. Yu. Kartoshkin, S. A. Vasilyev, and I. V. Talyzin, J. Therm. Anal. Calorim. 133 (2), 1207 (2018).

    Article  CAS  Google Scholar 

  18. F. Cleri and V. Rosato, Phys. Rev. B 48 (1), 22 (1993).

    Article  CAS  Google Scholar 

  19. X. W. Zhou, R. A. Johnson, and H. N. G. Wadley, Phys. Rev. B 69 (14), 144113 (2004).

    Article  Google Scholar 

  20. N. Yu. Sdobnyakov, P. V. Komarov, A. Yu. Kolosov, N. V. Novozhilov, D. N. Sokolov, and D. A. Kul’pin, Kondens. Sredy Mezhfaz. Granitsy 15 (3), 337 (2013).

    CAS  Google Scholar 

  21. N. Yu. Sdobnyakov, D. N. Sokolov, A. N. Bazulev, V. M. Samsonov, T. Yu. Zykov, and A. S. Antonov, Rasplavy, No. 5, 88 (2012).

    Google Scholar 

  22. V. M. Samsonov, N. Yu. Sdobnyakov, V. S. Myasnichenko, et al. J. Surf. Invest.: X-Ray Synchrotron Neutron Tech. 12 (6), 1206 (2018).

    Article  CAS  Google Scholar 

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Funding

The work was supported by the Ministry of Education and Science of the Russian Federation within the framework of the state assignment in the sphere of scientific activity (project no. 3.5506.2017/BCh, project no. 2019-0126) and the Russian Foundation for Basic Research (grant nos. 18-03-00132, 18-38-00571).

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Authors and Affiliations

  1. Tver State University, 170100, Tver, Russia

    V. M. Samsonov, N. Yu. Sdobnyakov, I. V. Talyzin, D. N. Sokolov, V. S. Myasnichenko, S. A. Vasilyev & A. Yu. Kolosov

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  1. V. M. Samsonov
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  2. N. Yu. Sdobnyakov
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  3. I. V. Talyzin
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  4. D. N. Sokolov
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  5. V. S. Myasnichenko
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  6. S. A. Vasilyev
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  7. A. Yu. Kolosov
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Correspondence to V. M. Samsonov or N. Yu. Sdobnyakov.

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Translated by L. Kulman

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Samsonov, V.M., Sdobnyakov, N.Y., Talyzin, I.V. et al. Complex Approach to Atomistic Simulation of the Size Dependences of the Temperature and the Heat of Melting of Co Nanoparticles: Molecular Dynamics and Monte Carlo Method. J. Surf. Investig. 13, 1185–1188 (2019). https://doi.org/10.1134/S1027451019060478

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  • DOI: https://doi.org/10.1134/S1027451019060478

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