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Publication Detail
Simultaneous calculation of the helical pitch and the twist elastic constant in chiral liquid crystals from intermolecular torques
Abstract
A molecular simulation model that yields simultaneously the equilibrium pitch wave number q and the twist elastic constant K2 of a chiral nematic liquid crystal was presented. The simulation of an untwisted system in periodic boundary conditions resulted in the product K2q. The method was tested for a model potential, comparing the results with K2q from a thermodynamic integration route, and with K2 from an order fluctuation analysis.
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