Response of liquid crystal molecules interacting with MD-Cell boundaries to electric field

By constant temperature molecular dynamics simulation of the Gay-Berne molecules with permanent dipole in the direction parallel to molecular long axis interacting with walls, the changes of direction of molecular alignment due to the electric field are studied. Three types of walls, two types of homogeneous anchoring and the one of homeotropic anchoring, are tested and the difference of the effects of such walls is observed to reveal at smectic phase. These results agree with the idea introduced by us that the walls work not only as the anchoring field to the molecular direction but also as the symmetry breaking field inducing the spatial order of smectic phase. The critical field at which the change of such alignment occurs is also estimated for each wall system