Construction of response functions of Cu, Fe and C mesoparticles in MCA method based on molecular dynamics calculations

In the work a study of response of materials with different crystal structures to uniaxial compression was conducted to determine the parameters of the interaction of particles on the mesoscale level. Stress–strain diagrams of samples of copper, α-iron and graphite was constructed using the molecular dynamics method. The loading along various crystallographic directions was specified. The change in the internal structure of the samples during the loading was analyzed to identify the relationship between the formation of defects and the change in stress values in the crystallite. The obtained data were used as input parameters for the response function when modeling in the framework of the method of movable cellular automata.