Molecular-dynamic analysis of fast heating of a mercury film on graphene

Stepwise heating of a mercury film on graphene with Stone–Wales defects and hydrogenated edges is studied by the molecular dynamics methods at $800$ K. Transformation of the film into a drop and its detachment from graphene is observed at a temperature of $\sim 700$ K. The phonon spectra determined by horizontal and vertical atomic vibrations, the mobility coefficients of $\rm Hg$ atoms separated in directions, the density profile and radial distribution function of mercury, the angular distribution of nearest geometrical neighbors, the stress tensor of graphene, and the roughness of a graphene sheet are calculated.