MD simulation of growth of Pd on Cu (1 1 1) and Cu on Pd (1 1 1) substrates

We develop the second nearest-neighbor modified embedded atom method to describe the Cu/Pd system

Tao Fu

2015

Scholarcy highlights

  • The twin structures and stacking faults were observed in the deposited bilayer films, in accordance with experimental results
  • We develop the second nearest-neighbor modified embedded atom method to describe the Cu/Pd system
  • The potential parameters are determined by fitting cohesive energy, lattice parameter, and elastic constants of the CsCl-type CuPd obtained by first principles calculation
  • We find that the developed potential can describe the fundamental physical and mechanical properties of both pure Pd and Cu as well as their alloys
  • It is found that the surface roughness decreases with the increase of incident energy
  • The incident energy is found to affect the quality of the growth twins

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