Abstract
We report here an off-lattice NVT molecular dynamics simulation study of a system of polar chiral ellipsoidal molecules, which spontaneously exhibits Blue Phase III (BPIII), considering coarse-grained attractive-repulsive pair interaction appropriate for anisotropic liquid crystal mesogens. We have observed that suitable selection of chiral and dipolar strengths not only gives rise to thermodynamically stable BPIII but novel Smectic and Bilayered BPIII as well. Further, we have demonstrated that the occurrence of BPIII and its layered counterparts depend crucially on molecular elongation.
Highlights
We report here an off-lattice NVT molecular dynamics simulation study of a system of polar chiral ellipsoidal molecules, which spontaneously exhibits Blue Phase III (BPIII), considering coarsegrained attractive-repulsive pair interaction appropriate for anisotropic liquid crystal mesogens
Our simulation work supports the theoretical proposition of the ‘spaghetti’ like arrangement of the double-twist cylinders as a model of BPIII and at the same time provide microscopic description of the molecular arrangement
We have found that higher chiral strength in the system induces inter-twinning of double-twist cylinders which eventually gives rise to a structure resembling BPIII phase
Summary
We report here an off-lattice NVT molecular dynamics simulation study of a system of polar chiral ellipsoidal molecules, which spontaneously exhibits Blue Phase III (BPIII), considering coarsegrained attractive-repulsive pair interaction appropriate for anisotropic liquid crystal mesogens. In this Molecular Dynamics simulation study, a microscopic structure resembling BPIII phase and its layered and novel bilayered counterparts have been realized.
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