Publication at Faculty of Mathematics and Physics |
2023
Abstract
Molecular dynamics (MD) is a simulation method that integrates Newton's equation of motion to predict the time evolution of individual atoms. The method is suitable for investigating processes in nanoscale objects such as nanoparticles, thin layers, and multilayers. The main advantage of this approach is its ability to show ongoing mechanisms in atomistic detail.
Results of the MD simulations of nanoscale objects under deformation and at elevated temperatures will be presented.