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A single-site anisotropic soft-core model for the study of phase behavior of soft rodlike particles

A single-site anisotropic soft-core model for the study of phase behavior of soft rodlike particles
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摘要 A novel mesoscopic simulation model is proposed to study the liquid crystal phase behavior of the anisotropic rodlike particles with a soft repulsive interaction,which possesses a modified anisotropic conservative force type used in dissipative particle dynamics.The influences of the repulsion strength and the particle shape on the phase behavior of soft rodlike particles are examined.In the simulations,we observe the formation of the nematic phase and smectic-A phase from the initially isotropic phase.Moreover,we find that shorter soft rodlike particles with anisotropic repulsive interactions can form a stable smectic-B phase.Our results demonstrate that the soft anisotropic purely-repulsive potential between the rodlike particles can reflect the interaction nature between soft rodlike particles in a simple way and is sufficient to produce a range of ordered LC-like mesophases. A novel mesoscopic simulation model is proposed to study the liquid crystal phase behavior of the anisotropic rodlike particles with a soft repulsive interaction,which possesses a modified anisotropic conservative force type used in dissipative particle dynamics.The influences of the repulsion strength and the particle shape on the phase behavior of soft rodlike particles are examined.In the simulations,we observe the formation of the nematic phase and smectic-A phase from the initially isotropic phase.Moreover,we find that shorter soft rodlike particles with anisotropic repulsive interactions can form a stable smectic-B phase.Our results demonstrate that the soft anisotropic purely-repulsive potential between the rodlike particles can reflect the interaction nature between soft rodlike particles in a simple way and is sufficient to produce a range of ordered LC-like mesophases.
出处 《Science China Chemistry》 SCIE EI CAS 2011年第9期1474-1483,共10页 中国科学(化学英文版)
基金 supported by the National Natural Science Foundation of China (21025416, 20974040, 50930001) the Program for New Century Excellent Talents in University of China,and Fok Ying Tung Education Foundation (114018)
关键词 computer simulation soft rodlike particle phase behavior LC-like mesophase 颗粒形状 各向异性 模拟模型 相行为 棒状 耗散粒子动力学 软核 站点
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参考文献52

  • 1Goodby JW.Optical activity and ferroelectricity in liquid crystals. Science . 1986
  • 2Wilson MR.Progress in computer simulations of liquid crystals. Int Rev Phys Chem . 2005
  • 3Kato T,Mizoshita N,Kishimoto K.Functional liquid-crystalline assemblies: self-organized soft materials. Angewandte Chemie International Edition . 2006
  • 4Care CM,Cleaver DJ.Computer simulation of liquid crystals. Reports on Progress in Physics . 2005
  • 5Xia J,Zhong C.Self-assembly of two agents in a core-shell-corona multicompartment micelle studied by dissipative particle dynamics simulations. Macromolecular Rapid Communications . 2006
  • 6AlSunaidi A,den Otter WK,Clarke JHR.Liquid-crystalline ordering in rod-coil diblock copolymers studied by mesoscale simulations. Philosophical Transactions of the Royal Society of London . 2004
  • 7Lintuvuori JS,Wilson MR.A new anisotropic soft-core model for the simulation of liquid crystal mesophases. The Journal of Chemical Physics . 2008
  • 8Rulkens R,,Wegner G,Thurn-Albrecht T.Cylindrical micelles of wormlike polyelectrolytes. Langmuir . 1999
  • 9Li Z-W,Chen L-J,Zhao Y,Lu Z-Y.Ordered packing of soft discoidal system. Journal of Physical Chemistry B . 2008
  • 10Li Z-W,Sun Z-Y,Lu Z-Y.Simulation model for hierarchical self-assembly of soft disklike particles. Journal of Physical Chemistry B . 2010

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