Melting of hexane monolayers adsorbed on graphite: the role of domains and defect formation.

Molecular dynamics studies of the melting of butane and hexane monolayers adsorbed on the basal-plane surface of graphite

Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

Quasielastic neutron scattering experiments and molecular dynamics ~MD! simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed on an exfoliated graphite substrate. For butane, quasielastic scattering broader than the experimental energ...

Simulation Study of Confinement Effects on the Melting Transition in Hexane and Decane Monolayers Between Two Graphite Slabs

The melting transition in hexane and decane monolayers are studied through use of a canonical ensemble molecular dynamics (MD) simulation method, where the monolayer is physisorbed onto a single, infinite graphite slab, with another confining graphite slab some varying vertical distance from the monolayer. Using a simple united-atom model to depict the alkanes, simulations suggest that the mono...

Orientational order in xenon fluid monolayers on single crystals of exfoliated graphite.

The melting transition of Xe monolayers adsorbed on a single-crystal exfoliated graphite substrate has been studied by high-resolution synchrotron x-ray scattering. At temperatures slightly above the melting transition the fluid phase has a high degree of orientational order. The results are discussed in the context of current theories of two-dimensional melting including the effects of the sub...

Transition Mechanisms and Phases of Hexane Physisorbed on Graphite

We present the results of molecular dynamics (MD) simulations of hexane adsorbed onto graphite at submonolayer (ρ<1), monolayer (ρ=1), and supermonolayer (ρ>1) coverages. We find the presence of three phases, the low temperature solid herringbone (HB) phase, the intermediate-nematic (IN) phase, and the isotropic fluid phase. For submonolayer coverages, we find that the IN phase disappears excep...