Chain-length effects on conformations of methyl methacrylate-oligomer thin films on an Au(111) substrate.

Molecular dynamics simulations were employed to investigate chain-length effects on conformations of methyl methacrylate (MMA)-oligomer thin films on an Au(111) substrate. Some observations were obtained from the present research. For short chain films, there is a sharp peak in the density profile of the MMA monomers for the adsorption region and the thin films exhibit a flattened conformation in the adsorption and the surface regions.

A molecular dynamics study of nanoindentation on a methyl methacrylate ultrathin film on a Au(111) substrate: interface and thickness effects.

The molecular dynamics simulation model of nanoindentation is proposed in order to study the mechanical and structural deformation properties of an ultrathin MMA (methyl methacrylate) film on a Au(111) surface. First, the significant differences in the structural arrangement of MMA thin films with different thicknesses are observed. Two layers are apparent in the thinnest MMA thin film next to the Au(111) surface, while three layer structures are apparent in the thicker film.

Molecular dynamics investigation into the effect of temperature on the structure and properties of methyl methacrylate thin films on a Au(111) surface.

An atomistic modeling approach is performed to investigate the effect of temperature on the structural properties of the MMA (methyl methacrylate) thin film and a Au(111) surface. The density profile and orientation of the MMA molecule in the thin film have been analyzed. We found that there is a significant effect on the density profile and orientation of the MMA molecule in the region near the interface between the thin film and the Au substrate.