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Full-Text Articles in Applied Mathematics
Equilibrium Structures And Thermal Fluctuations In Interacting Monolayers, Emmanuel Rivera
Equilibrium Structures And Thermal Fluctuations In Interacting Monolayers, Emmanuel Rivera
Williams Honors College, Honors Research Projects
Coherency strains appear in interacting atomic monolayers due to differing bond lengths, which can arise from different materials or geometries. Examples include extended monolayers interacting with a substrate and the interacting walls of a multi-walled carbon nanotube. These strains can induce various equilibrium configurations, which we will analyze by means of a phenomenological model that incorporates forces from bond stretching and bending within each layer and the weak van der Waals interactions connecting the separate layers. We vary the strengths of each interaction to explore their effects on equilibrium structures, and the specific case of a two-walled carbon nanotube is …
Understanding The Nature Of Nanoscale Wetting Through All-Atom Simulations, Oliver Evans
Understanding The Nature Of Nanoscale Wetting Through All-Atom Simulations, Oliver Evans
Williams Honors College, Honors Research Projects
The spreading behavior of spherical and cylindrical water droplets between 30Å and 100Å in radius on a sapphire surface is investigated using all-atom molecular dynamics simulations for durations on the order of tens of nanoseconds. A monolayer film develops rapidly and wets the surface, while the bulk of the droplet spreads on top of the monolayer, maintaining the shape of a spherical cap. Unlike previous simulations in the literature, the bulk radius is found to increase to a maximum value and receed as the monolayer continues to expand. Simple time and droplet size dependence is observed for monolayer radius and …