Doping liquid crystals with nanoparticles. A computer simulation of the effects of nanoparticle shape

作者：Orlandi Silvia; Benini Erika; Miglioli Isabella; Evans Dean R; Reshetnyak Victor; Zannoni Claudio^*

来源：Physical Chemistry Chemical Physics, 2016, 18(4): 2428-2441.

DOI：10.1039/c5cp05754j

We have studied, using Monte Carlo computer simulations, the effects that nanoparticles of similar size and three different shapes (spherical, elongated and discotic) dispersed at different concentrations in a liquid crystal (LC), have on the transition temperature, order parameter and mobility of the suspension. We have modelled the nanoparticles as berry-like clusters of spherical Lennard-Jones sites and the NP with a Gay-Berne model. We find that the overall phase behaviour is not affected by the addition of small amounts (x(N) = 0.1-0.5%) of nanoparticles, with the lowest perturbation obtained with disc-like nanoparticles at the lowest concentration. We observe a general decrease of the clearing temperature and a reduction in the orientational order with a change in its temperature variation, particularly in the case of the x(N) = 0.5% dispersions and with a more pronounced effect when the nanoparticles are spherical.

• 出版日期2016-1-28