Nematic and smectic liquid crystals modeling with stiff and free-joint Lennard-Jones chain molecules

摘要: Liquid crystals (LCs) composed of mesogens play important roles in various scientific and engineering problems. How a system with many can enter LC state is an interesting problem. Using stiff free-joint Lennard-Jones chain molecules as mesogens, we study the conditions under which phases. The guideline to eliminate unwanted translational orders controlled fine-tuning procedure across sequence systems. Instead monitoring growth order out disorder, prepare configuration high orientation ordering find where it relaxes to. Such begins reference system, consisting short chains homogeneous soft spheres, liquid-vapor coexistence situation, at thermodynamic instability triggers fast spontaneous growing process. By applying pulse auxiliary field align dispersedly oriented clusters, followed by reducing volume and, finally, changing into heterogeneous chains, are able obtain range systems, including nematic smectic LCs, their stable ordered states. model be extended influence nanoparticles or external on structure.