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Nickel coated carbon nanotubes in aluminum matrix composites: a multiscale simulation study

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Abstract

In this work we use density functional theory (DFT) calculations to benchmark empirical potentials for the interaction between nickel and sp2 bonded carbon nanoparticles. These potentials are then used in order to investigate how Ni decorated or coated carbon nanotubes (CNT) affect the mechanical properties of Al/CNT composites. In particular we look at the pull-out behaviour of pristine as well as Ni-decorated and Ni-coated CNT from an Al matrix. Our result shows that Ni coating may produce an extended interface (“interphase”) where a significant amount of energy is dissipated during CNT pull-out, leading to a high pull-out force. We also demonstrate that surface decorated CNT may act as efficient nano-crystallization agents and thus provide a novel strengthening mechanism not previously discussed in the literature. We discuss our results in view of promising approaches for engineering CNT-metal interfaces such as to achieve high strength metal-CNT composites.

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Authors and Affiliations

  1. WW8-Materials Simulation, Department of Materials Science, Friedrich-Alexander Universität Erlangen-Nürnberg, Dr. Mack Strasse 77, 90762, Fürth, Germany

    Samaneh Nasiri & Michael Zaiser

  2. School of Materials Science and Engineering, Southwest Petroleum University, Chengdu, Sichuan, P.R. China

    Kai Wang, Mingjun Yang & Michael Zaiser

  3. Department of Aeronautics, Imperial College London, South Kensington, SW7 2AZ, London, UK

    Qianqian Li

  4. School of Mechanics and Engineering, Southwest Jiaotong University, Chengdu, Sichuan, P.R. China

    Michael Zaiser

Authors
  1. Samaneh Nasiri
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  2. Kai Wang
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  3. Mingjun Yang
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  4. Qianqian Li
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  5. Michael Zaiser
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Corresponding author

Correspondence to Samaneh Nasiri.

Additional information

Contribution to the Topical Issue “Multiscale Materials Modeling”, edited by Yoji Shibutani, Shigenobu Ogata, and Tomotsugu Shimokawa.

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Nasiri, S., Wang, K., Yang, M. et al. Nickel coated carbon nanotubes in aluminum matrix composites: a multiscale simulation study. Eur. Phys. J. B 92, 186 (2019). https://doi.org/10.1140/epjb/e2019-100243-6

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  • DOI: https://doi.org/10.1140/epjb/e2019-100243-6

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