Monte-Carlo simulations for model Bent-Core molecules with fluctuating opening angle. Józefowicz, W. & Longa, L. Molecular Crystals and Liquid Crystals, 545:204-213, 2011.
Monte-Carlo simulations for model Bent-Core molecules with fluctuating opening angle [link]Paper  doi  abstract   bibtex   
We study the effect of fluctuations in opening angle of bent-core molecules on stability of the nematic phases. The molecules are built out of two Gay-Berne centers each corresponding to one of the molecular arms. Constant-pressure Monte Carlo (MC NPT) simulations are carried out for two versions of the model, with fixed- and fluctuating opening angle, where fluctuations are taken harmonic about the angle of 140. The phases found on cooling are uniaxial nematic, biaxial nematic and crystalline. On heating the biaxial nematic is superseded by the metastable crystalline phase. Copyright © Taylor & Francis Group, LLC.
@ARTICLE{Jozefowicz2011204,
author={Józefowicz, W. and Longa, L.},
title={Monte-Carlo simulations for model Bent-Core molecules with fluctuating opening angle},
journal={Molecular Crystals and Liquid Crystals},
year={2011},
volume={545},
pages={204-213},
doi={10.1080/15421406.2011.572014},
url={https://www2.scopus.com/inward/record.uri?eid=2-s2.0-79960695435&doi=10.1080%2f15421406.2011.572014&partnerID=40&md5=c9cefe59c5863b9add9c38aeb36df9ed},
abstract={We study the effect of fluctuations in opening angle of bent-core molecules on stability of the nematic phases. The molecules are built out of two Gay-Berne centers each corresponding to one of the molecular arms. Constant-pressure Monte Carlo (MC NPT) simulations are carried out for two versions of the model, with fixed- and fluctuating opening angle, where fluctuations are taken harmonic about the angle of 140. The phases found on cooling are uniaxial nematic, biaxial nematic and crystalline. On heating the biaxial nematic is superseded by the metastable crystalline phase. Copyright © Taylor & Francis Group, LLC.},
author_keywords={Banana-shaped molecules;  biaxial nematic phase;  NPT Monte Carlo simulation},
keywords={Banana-shaped molecules;  Bent-core molecules;  Biaxial nematic phase;  Gay-Berne;  Metastable crystalline phase;  MONTE CARLO;  Monte Carlo Simulation;  Nematic phasis;  NPT Monte Carlo simulation;  Opening angle, Liquid crystals;  Molecules;  Monte Carlo methods, Computer simulation},
correspondence_address1={Longa, L.; Department of Statistical Physics, Marian Smoluchowski Institute of Physics, Jagellonian University, Reymonta 4, 30-059 Kraków, Poland; email: lech.longa@uj.edu.pl},
document_type={Article},
source={Scopus},
}

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