Properties of Free Standing Films Composed of Lewis-Wahnström Ortho-Terphenyl Molecules

We present a detailed overview of the thermodynamic stability and structural properties of free standing glassy films, investigated using molecular dynamics simulations of the Lewis-Wahnström ortho-terphenyl model. Energy minimization calculations are preformed to study the underlying inherent structures. We also report dynamic properties, such as diffusion and scattering. In particular, we note the effects that the molecular rotational degree of freedom has on the system properties, and compare the results at the interface to those of the bulk. This work follows and contrasts a similar study in which the films were composed of simple molecules with no rotational degrees of freedom(Shi et al. J. Chem. Phys. 134, 114524 (2011))