Molecular-dynamic analysis of fast heating of a mercury film on graphene
作者： A. E. Galashev
DOI: 10.1134/S0018151X16050102
关键词: Molecular dynamics 、 Graphene nanoribbons 、 Materials science 、 Molecular physics 、 Mercury (element) 、 Vibration 、 Graphene 、 Radial distribution function 、 Cauchy stress tensor 、 Surface finish 、 General Engineering 、 Condensed matter physics
摘要: 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 into drop its detachment from observed temperature ∼700 The phonon spectra determined horizontal vertical atomic vibrations, mobility coefficients Hg atoms separated in directions, density profile radial distribution function mercury, angular nearest geometrical neighbors, stress tensor graphene, roughness sheet are calculated.
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