Examples of molecular dynamics applications

In what follows, three recent and original examples of DM application are proposed. The first is typical of the use of DM in multi-scale modeling applied to the prediction of irradiation effects for nuclear power plant materials. The next two examples propose solutions to the main problem of the method, which is the very low simulated time (on the order of nanoseconds). The first solution consists in coupling molecular dynamics with another method called kinetic Monte Carlo, which is not subject to the same time limitation. The other solution, presented here as a third example, is to use "coarse-grained" DM, in which each particle or grain no longer represents an atom, but a collection of atoms.