Due to the complex nature of the thermal spray process, modelling has been playing a key role in providing some key insights for process design and operations. The relationships among processing conditions, particle characteristics, and the resulting coating properties are nonlinear and might be difficult to be unravelled by the experimental studies alone (e.g. [5–7]) Detailed information on the atomic level changes leading to changes observed at macroscale can appropriately be obtained by MD simulation and the effect of temperature and velocity can be determined more precisely. In this work, relatively simpler spray system of copper–copper particle was simulated to obtain a better understanding of particle recrystallization and solidification, and deformation mechanics and topography of the impacting particles. Using state-of-the-art methods to examine the physical mechanisms involved in the impacting behavior and structure–property relationship, it can be suggested that the consecutive layer deposition of particles can better be understood by understanding individual particle impacts. The particle–surface interaction mechanism and its relation to Reynolds number can offer information on the quality of the coating through its response to shock heating. As a general practice, engineering components are thermally sprayed in a continuous multilayer mode with cooling; therefore there is an opportunity for developing richer theoretical models for single or multiple particle impact in conjunction with actual spraying tests, so as to identify cohesive and adhesive strength, hardness and residual stresses.
