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对浸没在向列型液晶中的铁电纳米颗粒的分子动力学研究。

A molecular dynamics study of ferroelectric nanoparticles immersed in a nematic liquid crystal.

作者信息

Pereira M S S, Canabarro A A, de Oliveira I N, Lyra M L, Mirantsev L V

机构信息

Instituto de Física, Universidade Federal de Alagoas, Maceió, AL, Brazil.

出版信息

Eur Phys J E Soft Matter. 2010 Jan;31(1):81-7. doi: 10.1140/epje/i2010-10553-y. Epub 2010 Jan 27.

Abstract

A large number of interesting phenomena related to the insertion of colloidal particles in liquid crystals (LC) have recently been reported. Here, we investigate effects caused by the addition of spherically shaped ferroelectric nanoparticles to a nematic liquid crystal. Using molecular dynamics (MD) simulations, the density of LC molecules, the orientational order parameter, and the polar and azimuthal angle profiles are calculated as functions of the distance to the center of the immersed nanoparticle for different temperatures of the system. We observe that the assembly of ferroelectric nanoparticles enhances the nematic order in the LC medium changing many properties of its host above the nematic-isotropic transition temperature T (*) (NI) .

摘要

最近有大量关于胶体颗粒插入液晶(LC)的有趣现象被报道。在此,我们研究了向向列型液晶中添加球形铁电纳米颗粒所产生的影响。通过分子动力学(MD)模拟,计算了系统在不同温度下,液晶分子密度、取向序参数以及极角和方位角分布随到浸没纳米颗粒中心距离的变化。我们观察到,铁电纳米颗粒的组装增强了液晶介质中的向列序,改变了其主体在向列 - 各向同性转变温度T*(NI)以上的许多性质。

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