2012/05/30 by Nababrata Ghoshal, Ghoshal, Nababrata, Kisor Mukhopadhyay +3
Chemistry · Computer Science · Materials Science · #Advanced Physical and Chemical Molecular Interactions #FOS: Physical sciences #Liquid Crystal Research Advancements #Material Dynamics and Properties #Nonlinear Dynamics and Pattern Formation #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech)
paper · pdf · doi:10.48550/arxiv.1205.6639
openalex publication_date 2012/05/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Monte Carlo simulation performed on a lattice system of biaxial molecules\npossessing D2h symmetry and interacting with a second rank anisotropic\ndispersion potential yields three distinct macroscopic phases depending on the\nbiaxiality of the constituent molecules. The phase diagram of such a system as\na function of molecular biaxiality is greatly modified when a transverse dipole\nis considered to be associated with each molecule so that the symmetry is\nreduced to C2v. Our results indicate the splitting of the Landau point\ni.e. the point in the phase diagram where a direct transition from the\nisotropic phase to the biaxial nematic phase occurs, into a Landau line for a\nsystem of biaxial molecules with strong transverse dipoles. The width of the\nLandau line becomes maximum for an optimal value of the relative dipolar\nstrength. The presence of transverse dipoles leads to the stabilization of the\nthermotropic biaxial nematic phase at higher temperature and for a range of\nvalues of molecular biaxiality. The structural properties in the uniaxial and\nbiaxial phases are investigated by evaluating the first rank and second rank\norientational correlation functions. The dipole induced long range order of the\nanti-ferroelectric structure in the biaxial nematic phase, is revealed.\n