Molecular dynamics simulations of Lennard-Jones systems confined between suspended nanoscale graphene sheets

The distribution of particles interacting with Lennard-Jones potentials and confined between parallel graphene sheets is investigated by molecular dynamics simulations. For small separation distances, the particles are densely localized in the central region between the graphene sheets. However, two high-density layers appear as the separation distance increases. The particle distribution also depends on the temperature, tensile force of the graphene sheets, and the initial configuration, and various configurations are observed for large separation. For example, an argon cluster initially located between the graphene sheets changes shape, and a bridge between the parallel walls is formed at low temperature. In contrast to the Lennard-Jones system sandwiched between rigid walls, the flexibility of the graphene sheets strongly affects the distribution of particles in the direction perpendicular to the graphene sheets.