Mechanical properties of aluminium-graphene composite

The orientation of aluminium atoms over the graphene substrate and its mechanical properties have been studied by molecular dynamics simulation. The adaptive common neighbor analysis and Steinhardt-Nelson bond orientation order parameters are estimated to characterize structural orientation of aluminium atom over the graphene substrate.

The major new findings are as as follows:

  • It has observed that lower potential energy aluminium atoms aggregate and formed a cluster near the graphene substrate.
  • Graphene substrate has been acting as facilitator for aluminium crystallization.
  • The young modulus and yield strength found higher during tensile deformation along the normal axis (Z-axis) of graphene substrate compared Y- and X-axis.


The crystal growth of aluminium atoms over the graphene substrate as temperature decreases from 2500K to 100K: (a) T=2500K, (b) T=750K, (c) T=740K, (d) T=730K and (e) T=10K. The green, brick red, yellow, blue, gray, red colored atoms pertaining to fcc, hcp, ico, BCC, amorphous and carbon atoms of graphene respectively.

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The stress-strain response of pure aluminium and aluminium/graphene composite at 300K during tensile deformation along: Z-axis,  Y-axis and X-axis