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

  • Samaneh NasiriEmail author
  • Kai Wang
  • Mingjun Yang
  • Qianqian Li
  • Michael Zaiser
Regular Article
First Online:
  • 92 Downloads
Part of the following topical collections:
  1. Topical issue: Multiscale Materials Modeling

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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Copyright information

© EDP Sciences / Società Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  1. 1.WW8-Materials Simulation, Department of Materials Science, Friedrich-Alexander Universität Erlangen-NürnbergFürthGermany
  2. 2.School of Materials Science and Engineering, Southwest Petroleum UniversityChengdu, SichuanP.R. China
  3. 3.Department of AeronauticsImperial College LondonSouth KensingtonUK
  4. 4.School of Mechanics and Engineering, Southwest Jiaotong UniversityChengdu, SichuanP.R. China

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