NanoMMC – Atomistic simulation of metal matrix nanocomposites

5th February 2018 - Nanocomposites

Description

This project aims to investigate the mechanical behaviour of copper (Cu) and aluminium (Al) nanocomposites reinforced with carbon nanotubes (CNTs) using Molecular Dynamics (MD). The main interest is to assess the influence of the interface carbon-metal on the mechanical strength of the nanocomposite and to evaluate its behaviour under extreme loading (high loading rate and hysteretic behaviour for dynamic actions. Tensile and compressive loadings are applied to limit boundary conditions of CNT: (i) loading applied to the metal matrix (the embedded CNT is not loaded) and (ii) loading applied to both metal matrix and embedded CNT. The reference case (metal matrix without CNT) is also considered. Curves of energy and stress vs. strain will be determined and mechanical properties (Young’s modulus, yield stresses and strains) will be calculated.

This project aims to determine if the CNT increases the stiffness and strength of the nanocomposite (as expected). However, it may also act as an imperfection (void) to the metal matrix and decrease its ductility. Additionally, this project also reports atomic stress distributions, dislocation patterns and crystalline structures of the loaded CNT-metal matrix nanocomposite, which explain not only the failure mechanisms but also the differences between compressive and tensile behaviours, which definitely leads to anisotropic behaviour at nanoscale.

 

References

  1. Silvestre, N. Advanced Computational Nanomechanics (Book), Wiley, 2016 https://onlinelibrary.wiley.com/doi/book/10.1002/9781119068921
  2. Galhofo, D., Silvestre, N., Faria, B., Guarda, C., Monotonic and hysteretic in-plane behaviour of graphene through an atomistic FE model, Composites Part B: Engineering, 2019, 156, pp. 310-318 https://doi.org/10.1016/j.compositesb.2018.08.097
  3. Faria, B., Guarda, C., Silvestre, N., Lopes, J.N.C., Galhofo, D. Strength and failure mechanisms of cnt-reinforced copper nanocomposite, Composites Part B: Engineering, 2018, 145, pp. 108-120 https://doi.org/10.1016/j.compositesb.2018.02.033
  4. Rodrigues, F.C., Silvestre, N., Deus, A.M. Nonlinear mechanical behaviour of γ-graphyne through an atomistic finite element model, Computational Materials Science, 2017, 134, pp. 171-183 https://doi.org/10.1016/j.commatsci.2017.03.051
  5. Faria, B., Silvestre, N., Lopes, J.N.C. Mechanical behaviour of carbon nanotubes under combined twisting-bending, Mechanics Research Communications, 2016, 73, pp. 19-24 https://doi.org/10.1016/j.mechrescom.2016.01.010
  6. Couto, R., Silvestre, N. Finite Element Modelling and Mechanical Characterization of Graphyne, Journal of Nanomaterials, 2016, 2016,7487049 http://dx.doi.org/10.1155/2016/7487049
  7. Silvestre, N., Faria, B., Canongia Lopes, J.N. Compressive behavior of CNT-reinforced aluminum composites using molecular dynamics, Composites Science and Technology, 2014, 90, pp. 16-24 https://doi.org/10.1016/j.compscitech.2013.09.027
  8. Tserpes, K.I., Silvestre, N. Modeling of Carbon Nanotubes, Graphene and their Composites, Springer Series in Materials Science, 2014, 188. https://link.springer.com/book/10.1007%2F978-3-319-01201-8
  9. Faria, B., Silvestre, N., Canongia Lopes, J.N. Tension-twisting dependent kinematics of chiral CNTs, Composites Science and Technology, 2013, 74, pp. 211-220 https://doi.org/10.1016/j.compscitech.2012.11.010
  10. Faria, B., Silvestre, N., Canongia Lopes, J.N. Induced anisotropy of chiral carbon nanotubes under combined tension-twisting, Mechanics of Materials, 2013, 58, pp. 97-109 https://doi.org/10.1016/j.mechmat.2012.11.004

 

Contact Person

Nuno Silvestre