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Thermophysical Properties of Materials
Molecular-dynamic analysis of fast heating of a mercury film on graphene
A. E. Galashev Institute of High-Temperature Electrochemistry, RAS
Abstract:
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.
Received: 23.01.2015 Accepted: 16.06.2015
Citation:
A. E. Galashev, “Molecular-dynamic analysis of fast heating of a mercury film on graphene”, TVT, 54:5 (2016), 733–741; High Temperature, 54:5 (2016), 690–697
Linking options:
https://www.mathnet.ru/eng/tvt8727 https://www.mathnet.ru/eng/tvt/v54/i5/p733
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Statistics & downloads: |
Abstract page: | 189 | Full-text PDF : | 104 | References: | 35 | First page: | 1 |
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