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TVT, 2016, Volume 54, Issue 5, Pages 733–741 (Mi tvt8727)  

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 $ 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.

Funding Agency Grant Number
Russian Foundation for Basic Research 13-08-00273
This work was supported by the Russian Foundation for Basic Research, project no. 13-08-00273.


DOI: https://doi.org/10.7868/S0040364416050100

Full text: PDF file (633 kB)
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English version:
High Temperature, 2016, 54:5, 690–697

Bibliographic databases:

UDC: 539.87 : 544.72
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

Citation in format AMSBIB
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