caa a22 4500 605489912 CHVBK 20210128100502.0 cr unu---uuuuu 210128e20150901xx s 000 0 eng 10.1134/S1061933X15040080 doi (NATIONALLICENCE)springer-10.1134/S1061933X15040080 Galashev A. Institute of High Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, ul. Sof'i Kovalevskoi 22, 620990, Yekaterinburg, Russia aut Mercury droplet formation on a graphene surface. Computer experiment [Elektronische Daten] [A. Galashev] Molecular dynamics method has been employed to study rapid heating of a mercury film on graphene containing Stone-Wales defects. Hydrogenated edges of a graphene sheet withstand heating by 800 K. As the film contracts into a droplet, the horizontal component of the self-diffusion coefficient of Hg atoms monotonically decreases, while the vertical component passes through a deep minimum, which reflects the onset of droplet rising over the substrate. Droplet formation manifests itself as upward widening of the vertical density profile and an increase in the number of peaks in it. Therewith, the length of the radial distribution function of mercury substantially diminishes and the intensity of its first peak increases. Formation of the droplet leads to a decrease in the blunt contact angle. Temperature-related changes in graphene manifest themselves as a rise in the intensity of additional peaks in the angular distribution of the closest neighbors, oscillatory pattern of the stresses acting in its plane, and an almost linear growth of roughness. Pleiades Publishing, Ltd., 2015 Colloid Journal Pleiades Publishing 77/5(2015-09-01), 582-591 1061-933X 77:5<582 2015 77 10595 https://doi.org/10.1134/S1061933X15040080 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1134/S1061933X15040080 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Galashev A. Institute of High Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, ul. Sof'i Kovalevskoi 22, 620990, Yekaterinburg, Russia aut NATIONALLICENCE 773 0- Colloid Journal Pleiades Publishing 77/5(2015-09-01), 582-591 1061-933X 77:5<582 2015 77 10595