What details can be studied about atom surface interaction through molecular dynamics. Can the collision process be studied on how a single incoming atom interacts with the surface ? IS the study limited by the type of interaction considered between the atom and the surface, like there are pairwise potentials which are simple than the force fields such as ReaxFF which take into account various parameters to model the interaction
I want to study the interaction process where an incoming neutral atom at a particular energy has a certain sticking probability on the surface and this varies with the angle of incidence and energy. How can i study this ?
You need to be more specific, what is your interest? MD can provide many things. For example you can study the ion bombardment, i.e. see the sputtering of material, cascade of collisions and defects, i.e. structural changes. MD is very good for that. Indeed to have reliable results you must obtain good potentials from DFT or other ab initio method.
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