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Molecular Dynamic Simulation for Heat Capacity of MgSiO 3 Perovskite

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Bio-Inspired Computing - Theories and Applications

Part of the book series: Communications in Computer and Information Science ((CCIS,volume 472))

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Abstract

The interaction potential plays an important role in molecular dynamics (MD) simulations of MgSiO 3 perovskite. A new set of potential parameters is developed by means of combining two fitting potential parameters of previous studies. The constant-pressure heating capacity of MgSiO 3 are simulated by using the new set of potential parameters. It is shown that the heating capacity of MgSiO 3 perovskite are close to the experimental data.

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Author information

Authors and Affiliations

  1. College of Electrical Engineering, Northwest University for Nationalities, Lanzhou, 730124, Gansu, China

    Qiong Chen

Authors
  1. Qiong Chen
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Editor information

Editors and Affiliations

  1. Huazhong University of Science and Technology, 430074, Wuhan, China

    Linqiang Pan

  2. Institute of Mathematics of the Romanian Academy, 014700, Bucuresti, Romania

    Gheorghe Păun

  3. Department of Computer Science and Artificial Intelligence, University of Sevilla, Avda. Reina Mercedes s/n., 41012, Sevilla, Spain

    Mario J. Pérez-Jiménez

  4. School of Automation, Huazhong University of Science and Technology, 430074, Wuhan, China

    Tao Song

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Chen, Q. (2014). Molecular Dynamic Simulation for Heat Capacity of MgSiO 3 Perovskite. In: Pan, L., Păun, G., Pérez-Jiménez, M.J., Song, T. (eds) Bio-Inspired Computing - Theories and Applications. Communications in Computer and Information Science, vol 472. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-45049-9_4

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  • DOI: https://doi.org/10.1007/978-3-662-45049-9_4

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-662-45048-2

  • Online ISBN: 978-3-662-45049-9

  • eBook Packages: Computer ScienceComputer Science (R0)

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