The modelling of the interaction processes of nanoclusters and accelerated ions with metal targets is carried out based on the development and combination of thermal spike (TS) and molecular dynamics (MD) models. The stages of model development are presented:

• modeling of structural changes in metals under irradiation with nanoclusters using MD;
• to expand the applicability of MD methods to the problems of modeling metal irradiation by high-energy particle sources, a technique based on the sequential application of TS model algorithms and MD methods has been implemented;
• the continuum-atomistic approach was modified to simulate the irradiation of a metal target with heavy ions.