Physics and Mechanics of Carbon Nanomaterials

The object of the study is two-dimensional and three-dimensional carbon nanostructures with unique properties. The materials under consideration can be further used in power engineering, mechanical engineering, and nanomechanical devices. The purpose of the work is to study the mechanical and physical properties of new carbon nanomaterials of various dimensions, in particular, to study the effect of defects on material properties, to study the mechanical properties of new two–dimensional materials (diamane) and new composites based on crumpled graphene. Two-dimensional structures such as graphene with dislocation dipoles and diamane have been studied by molecular dynamic modeling. Its deformation behavior in the presence of dislocation dipoles and folds has been studied for graphene. It is shown that an increase in the length of the dislocation dipole arm leads to a sharp decrease in the strength of graphene. The corrugation of graphene also leads to a sharp decrease in its strength. A method for calculating elasticity constants is presented for diamond, which can be further applied to any two-dimensional materials. The constants of stiffness and compliance are calculated. The paper presents the results of molecular dynamics modeling of the deformation behavior of graphene/Ni, graphene/Ti, graphene/Al and graphene/Cu composites. The parameters of the Morse potential are considered and selected, and other existing potentials are tested to describe the interaction in these systems. It is shown that due to the weak binding energy between graphene and Al (graphene and Cu), metal nanoparticles tend to coagulate during deformation treatment. The presence of coagulated metal nanoparticles, on the one hand, increases the plasticity of the composite, but, on the other hand, it is on the nanoparticles that its destruction occurs. The greatest strength is demonstrated by a composite based on graphene and Ni.

The object of research is various metallic materials - metals, alloys, composites. The purpose of the study is to analyze the mechanical and physical properties of these materials under various external influences. The main research method is the method of molecular dynamics, which at the atomic level allows us to analyze the mechanisms underlying various processes. One of the important tasks is the study of plastic deformation in metal and the analysis of deformation mechanisms, such as grain boundary slippage. In addition, the molecular dynamics method makes it possible to study melting and crystallization, as well as diffusion processes in metallic nanomaterials.