International Journal of Materials Science and Applications

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Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites

Received: 07 July 2016    Accepted:     Published: 07 July 2016
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Abstract

The mechanical properties and interfacial structures for aluminum matrix composites reinforced by nanometer-sized SiC-β particles has been studied using molecular dynamics (MD) simulation. The modified embedded atom methods, was implemented to describe the atomic interactions. The molecular model undergoes an annealing MD simulation from 300 K to 1000 K to reach its minimum energy point. Tensile tests were performed with periodic boundary conditions. The stress-strain relationship has been studied and elastic constants were predicted as well. The results were compared with those given by continuum-based finite element analysis (FEA) together with the experimental data available in the literatures. It showed that both the elastic modulus and yield stress were further strengthened due to the presence of the nano-particles. Also, it was found that the existing SiC nano-particles have an effect on the initial arrangement of Al atoms in such a manner: Al atoms were inclined to aggregate around the particle surface. Aluminum concentrations were also observed inside the SiC particles close to the surface. The depth of hybridization is uniform and planar.

DOI 10.11648/j.ijmsa.20160503.16
Published in International Journal of Materials Science and Applications (Volume 5, Issue 3, May 2016)
Page(s) 151-159
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This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.

Copyright

Copyright © The Author(s), 2024. Published by Science Publishing Group

Keywords

Molecular Dynamics, Aluminum Matrix Composites, Silicon Carbide Nano-particles

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Author Information
  • Rexa, Inc. West Bridgewater, MA, USA

  • School of Materials Science and Engineering, East China University of Science and Technology, Shanghai, China

  • Department of Naval Architecture and Marine Engineering, University of New Orleans, New Orleans, LA, USA

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  • APA Style

    Heng Gu, Jiao Jiao Wang, Zhongwei Li. (2016). Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites. International Journal of Materials Science and Applications, 5(3), 151-159. https://doi.org/10.11648/j.ijmsa.20160503.16

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    ACS Style

    Heng Gu; Jiao Jiao Wang; Zhongwei Li. Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites. Int. J. Mater. Sci. Appl. 2016, 5(3), 151-159. doi: 10.11648/j.ijmsa.20160503.16

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    AMA Style

    Heng Gu, Jiao Jiao Wang, Zhongwei Li. Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites. Int J Mater Sci Appl. 2016;5(3):151-159. doi: 10.11648/j.ijmsa.20160503.16

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  • @article{10.11648/j.ijmsa.20160503.16,
      author = {Heng Gu and Jiao Jiao Wang and Zhongwei Li},
      title = {Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites},
      journal = {International Journal of Materials Science and Applications},
      volume = {5},
      number = {3},
      pages = {151-159},
      doi = {10.11648/j.ijmsa.20160503.16},
      url = {https://doi.org/10.11648/j.ijmsa.20160503.16},
      eprint = {https://download.sciencepg.com/pdf/10.11648.j.ijmsa.20160503.16},
      abstract = {The mechanical properties and interfacial structures for aluminum matrix composites reinforced by nanometer-sized SiC-β particles has been studied using molecular dynamics (MD) simulation. The modified embedded atom methods, was implemented to describe the atomic interactions. The molecular model undergoes an annealing MD simulation from 300 K to 1000 K to reach its minimum energy point. Tensile tests were performed with periodic boundary conditions. The stress-strain relationship has been studied and elastic constants were predicted as well. The results were compared with those given by continuum-based finite element analysis (FEA) together with the experimental data available in the literatures. It showed that both the elastic modulus and yield stress were further strengthened due to the presence of the nano-particles. Also, it was found that the existing SiC nano-particles have an effect on the initial arrangement of Al atoms in such a manner: Al atoms were inclined to aggregate around the particle surface. Aluminum concentrations were also observed inside the SiC particles close to the surface. The depth of hybridization is uniform and planar.},
     year = {2016}
    }
    

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  • TY  - JOUR
    T1  - Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites
    AU  - Heng Gu
    AU  - Jiao Jiao Wang
    AU  - Zhongwei Li
    Y1  - 2016/07/07
    PY  - 2016
    N1  - https://doi.org/10.11648/j.ijmsa.20160503.16
    DO  - 10.11648/j.ijmsa.20160503.16
    T2  - International Journal of Materials Science and Applications
    JF  - International Journal of Materials Science and Applications
    JO  - International Journal of Materials Science and Applications
    SP  - 151
    EP  - 159
    PB  - Science Publishing Group
    SN  - 2327-2643
    UR  - https://doi.org/10.11648/j.ijmsa.20160503.16
    AB  - The mechanical properties and interfacial structures for aluminum matrix composites reinforced by nanometer-sized SiC-β particles has been studied using molecular dynamics (MD) simulation. The modified embedded atom methods, was implemented to describe the atomic interactions. The molecular model undergoes an annealing MD simulation from 300 K to 1000 K to reach its minimum energy point. Tensile tests were performed with periodic boundary conditions. The stress-strain relationship has been studied and elastic constants were predicted as well. The results were compared with those given by continuum-based finite element analysis (FEA) together with the experimental data available in the literatures. It showed that both the elastic modulus and yield stress were further strengthened due to the presence of the nano-particles. Also, it was found that the existing SiC nano-particles have an effect on the initial arrangement of Al atoms in such a manner: Al atoms were inclined to aggregate around the particle surface. Aluminum concentrations were also observed inside the SiC particles close to the surface. The depth of hybridization is uniform and planar.
    VL  - 5
    IS  - 3
    ER  - 

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