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Orlandi S, Benini E, Miglioli I, et al. Doping liquid crystals with nanoparticles. A computer simulation of the effects of nanoparticle shape. Phys Chem Chem Phys. 2016;18(4):2428-41doi: 10.1039/c5cp05754j.
Orlandi, S., Benini, E., Miglioli, I., Evans, D. R., Reshetnyak, V., & Zannoni, C. (2016). Doping liquid crystals with nanoparticles. A computer simulation of the effects of nanoparticle shape. Physical chemistry chemical physics : PCCP, 18(4), 2428-41. https://doi.org/10.1039/c5cp05754j
Orlandi, Silvia, et al. "Doping liquid crystals with nanoparticles. A computer simulation of the effects of nanoparticle shape." Physical chemistry chemical physics : PCCP vol. 18,4 (2016): 2428-41. doi: https://doi.org/10.1039/c5cp05754j
Orlandi S, Benini E, Miglioli I, Evans DR, Reshetnyak V, Zannoni C. Doping liquid crystals with nanoparticles. A computer simulation of the effects of nanoparticle shape. Phys Chem Chem Phys. 2016 Jan 28;18(4):2428-41. doi: 10.1039/c5cp05754j. PMID: 26700502.
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Phys Chem Chem Phys. 2016 Jan 28;18(4):2428-41. doi: 10.1039/c5cp05754j.

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

Physical chemistry chemical physics : PCCP

Silvia Orlandi, Erika Benini, Isabella Miglioli, Dean R Evans, Victor Reshetnyak, Claudio Zannoni

Affiliations

  1. Dipartimento di Chimica Industriale "Toso Montanari" and INSTM, Università di Bologna, Viale Risorgimento 4, IT-40136 Bologna, Italy. [email protected].
  2. Air Force Research Laboratory, Materials and Manufacturing Directorate, Wright-atterson Air Force Base, Ohio 45433, USA. [email protected].
  3. National Taras Shevchenko University of Kyiv, UA-01601 Kyiv, Ukraine. [email protected].

PMID: 26700502 DOI: 10.1039/c5cp05754j

Abstract

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 (xN = 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 xN = 0.5% dispersions and with a more pronounced effect when the nanoparticles are spherical.

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