Graphane: discrete breathers for dehydrogenation

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Аннотация:

Clusters of discrete breathers in fully hydrogenated graphene (also called gr aphane) are studied by means of molecular dynamics simulation. The energy exchange between gapdiscrete breathers is studied for clusters composed of two and three discrete breathers. It is shown that difference in the initial amplitude or in the initial vibration phase of discrete breathers affect the energyexchange between them. It is shown that the life time of single discrete breather in thermal equilibrium at 50 K is of order of 10 ps.