Molecular dynamics simulation of the nematic liquid crystal phase in the presence of an intense magnetic field

The influence of an intense external field on the dynamics of the nematic liquid crystal phase is investigated using a molecular dynamics simulation for the Gay-Berne nematogen under isobaric-isothermal conditions. The molecular dynamics as a function of the second-rank orientational order parameter < P-2 > for a system consisting of a nematic liquid crystal in the presence of an intense magnetic field is compared with that of a similar system without the field. The translational motion of molecules is determined as a function of the translational diffusion coefficient tensor and the anisotropy and compared with the values predicted theoretically. The rotational dynamics of molecules is analyzed using the first- and the second-rank orientational time correlation functions. The translational diffusion coefficient parallel with respect to the director is constrained by the intense field, although the perpendicular one is decreased as the < P-2 > is increased, just as it is in the system without the field. However, no essential effect of the strong magnetic field is observed in the rotational molecular dynamics. Further, the rotational diffusion coefficient parallel with respect to the director obtained from the first-rank orientational time correlation function in the simulation is qualitatively in agreement with that in the real nematic liquid crystalline molecules. The < P-2 > dependence of the rotational diffusion coefficient for the system with the intense magnetic field shows a tendency similar to that for the system without the field. (c) 2006 American Institute of Physics.