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Langmuir. 2009 Oct 6;25(19):11450-8. doi: 10.1021/la902958k.

Nonreactive spreading at high-temperature revisited for metal systems via molecular dynamics.

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Centre for Research in Molecular Modelling, University of Mons-Hainaut, Parc Initialis, Av. Copernic, 1, 7000 Mons, Belgium.


The spreading for Cu and Ag droplets on top of a rigid solid surface modeling Mo is herewith considered via molecular dynamics. The dynamics of the base radius and the contact angle are recorded and fitted using the molecular-kinetic theory. A method is described to determine for liquid metals at the microscopic level the parameters appearing in this theory. These microscopic parameters are calculated directly in the simulations and compared to the fitted values. The agreement between the fitted values and the calculated ones shows that the dissipation of energy within the drop is caused primarily by the friction of liquid atoms over the substrate. This validation supports the understanding of the mechanisms controlling the spreading of liquid metals which, up to now, were based on experimental data and fitting procedures.


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