PLANAR ANCHORING AT THE SMECTIC A-ISOTROPIC INTERFACE - A MOLECULAR-DYNAMICS SIMULATION STUDY

We report molecular dynamics simulations of the nematic-isotropic and smectic A-isotropic interfaces in a system of molecules interacting vi a the Gay-Berne potential. The interfaces are prepared and maintained using a temperature inhomogeneity method in which the two phases are s imulated at slightly different temperatures in the same box. The ancho ring at both interfaces is found to be planar, indicating that the tra nslational correlations present in the smectic A phase do not influenc e the average direction of alignment at the interface with the isotrop ic liquid. A narrow layer of nematic structure is observed between the smectic A and isotropic phases. (C) 1998 Elsevier Science B.V. All ri ghts reserved.