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通过蒙特卡罗模拟和维里展开法计算硬薄血小板的弹性常数

Elastic constants of hard thin platelets by Monte Carlo simulation and virial expansion.

作者信息

O'Brien Paul A, Allen Michael P, Cheung David L, Dennison Matthew, Masters Andrew

机构信息

Department of Physics and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, United Kingdom.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Nov;78(5 Pt 1):051705. doi: 10.1103/PhysRevE.78.051705. Epub 2008 Nov 24.

Abstract

In this paper we present an investigation into the calculation of the Frank elastic constants of hard platelets via molecular simulation and virial expansion beyond second order. Monte Carlo simulations were carried out and director fluctuations measured as a function of wave vector k, giving the elastic constants through a fit in the low-k limit. Additionally, the virial expansion coefficients of the elastic constants up to sixth order were calculated, and the validity of the theory determined by comparison with the simulation results. The simulation results are also compared with experimental measurements on colloidal suspensions of platelike particles.

摘要

在本文中,我们通过分子模拟和超越二阶的维里展开,对硬血小板的弗兰克弹性常数的计算进行了研究。进行了蒙特卡罗模拟,并测量了指向矢涨落作为波矢k的函数,通过在低k极限下的拟合得到弹性常数。此外,计算了弹性常数直至六阶的维里展开系数,并通过与模拟结果比较确定了该理论的有效性。模拟结果还与板状颗粒胶体悬浮液的实验测量结果进行了比较。

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