We present classical molecular dynamics calculations of the behavior of copper and gold nanoparticles on a graphene sheet, sheared with a constant applied force F a . The force F s acting on the particle from the substrate depends on the material of the nanoparticles (Au or Cu), and exhibits a sawtooth dependency on time, which we attribute to local commensurability between the metal nanoparticle surface atomic positions with the graphene lattice. The time-averaged value of F s (the friction force) acting on Au nanoparticles increases linearly with the contact area, having slopes close to the experimentally observable ones. A qualitative model is proposed to explain the observed results.
The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects distribution (dislocations and grain boundaries). The phase diagram is determined with the domains of the realization of different limiting structure types. The interaction effect of several defect types on the formation of a limiting structure is investigated in terms of the internal energy. The conditions of the formation of two limiting structures are found. The kinetics of the steady-state values establishment of the defects density is investigated within the scope of the adiabatic approximation. The dislocations density change follows the evolution of the grain boundaries density in this approach. It is shown that grain sizes, in limiting structures, decrease with an increase of the elastic strains.
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