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Molecular Dynamic Calculation of the Bulk Modulus for Silicon and Silicon Carbide

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Abstract

A methodology for finding the bulk modulus using the molecular dynamics method is proposed. The influence of cluster size on the bulk modulus was analyzed. An increase in the bulk modulus with decreasing cluster size starting from a certain critical volume has been found. As a physical system, we considered a spherical cluster of silicon and silicon carbide with a zinc blende structure 3C-SiC.

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ACKNOWLEDGMENTS

The authors are grateful to I.F. Golovnev for discussing the calculation method.

Funding

This study was supported by the Russian Foundation for Basic Research (project no. 18-41-540013 р_а) and Program no. 2 of the Presidium of the Russian Academy of Sciences.

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Authors and Affiliations

  1. Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch, Russian Academy of Science, Novosibirsk, Russia

    A. V. Utkin &  V. M. Fomin

  2. Novosibirsk State University, Novosibirsk, Russia

    V. M. Fomin

Authors
  1. A. V. Utkin
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  2. V. M. Fomin
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Correspondence to A. V. Utkin.

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Utkin, A.V., Fomin, V.M. Molecular Dynamic Calculation of the Bulk Modulus for Silicon and Silicon Carbide. Dokl. Phys. 65, 174–177 (2020). https://doi.org/10.1134/S1028335820050122

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  • DOI: https://doi.org/10.1134/S1028335820050122

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