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 via the Gay-Berne potential. The interfaces are prepared and maintained using a temperature inhomogeneity method in which the two phases are simulated at slightly different temperatures in the same box. The anchoring at both interfaces is found to be planar, indicating that the translational correlations present in the smectic A phase do not influence the average direction of alignment at the interface with the isotropic liquid. A narrow layer of nematic structure is observed between the smectic A and isotropic phases. (C) 1998 Elsevier Science B.V. All rights reserved.