Nickel-Matrix Composite with Diamane: Molecular Dynamics

The rapid development of technology and industry requires the search of new materials which combine high strength, light weight and corrosion resistance. Metal matrix composites reinforced with two-dimensional carbon allotropes exhibit impressive mechanical, physical and tribological properties. Diamane, a two-dimensional diamond, is a very promising material for the production of thin, ultra-high strength coatings and as the reinforcement for metal matrix composites. Simulation methods can considerably improve understanding of the interaction between the diamane and metal phase. Molecular dynamics allow to analyse different properties of new materials on the atomistic level. In the present work, the mechanical properties of new composite – nickel reinforced with diamane – are investigated by molecular dynamics simulation. The structural changes in the Ni/diamane composite during tensile loading are analyzed in detail. The Young’s modulus and ultimate tensile strength of Ni/diamanе composite are 147 and 22.1 GPa, respectively, but they can be increased by increasing the diamane layers in the composite. It was found that dislocation nucleation occurred at the interface between Ni and diamane. The tensile strength of Ni/diamane composite depends on the tensile direction. The results obtained contribute to a better understanding of the processes of formation, deformation behaviour, and mechanical properties of composites based on metal and diamane.