Molecular organization liquid crystal mechanical model

In this chapter we have shown how force fields can be utilized in materials science applications. There are similarities between force fields used in life science and in materials science. Owing to the variety of molecules studied in materials science, however, there are several complementary approaches to modeling such systems. Molecular mechanics force fields as used in life science (i.e., in biomolecules) can also be applied to organic materials such as polymers or liquid crystals. Ionic materials such as oxides are better described by means of ion pair or shell model potentials. For some systems with ionic as well as covalent character in their bonds (e.g, zeolites), both approaches are feasible. 

In this context liquid crystals (LC s) are of particular interest because of their properties of self organization. These give rise to systems with high axial order, which can be used to enhance the polar order as predicted by a number of molecular statistical models. Of these materials side chain LC polymers seem most attractive because of their inherent tailorability - that is, the ability to alter material properties to fit specific needs such as optical clarity, ease of processability, reasonable mechanical properties and easy coupling to an external electric field. Quite recently, Gonin et al demonstrated experimentally that side chain LC polymers can exhibit a gain in polar ordering by a factor of 2.3-3.3 over the isotropic counterparts. 

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