School of Mathematics and Statistics, Guizhou University, Huaxi District, 550025 Guiyang, China.
School of Mathematical Sciences, Zhejiang University, 886 Yuhang Road, Xihu District, 310027 Hangzhou, China.
J Phys Chem B. 2021 May 27;125(20):5309-5320. doi: 10.1021/acs.jpcb.1c01116. Epub 2021 May 14.
Liquid-crystalline orders are ubiquitous in membranes and could significantly affect the elastic properties of the self-assembled bilayers. Calculating the free energy of bilayer membranes with different geometries and fitting them to their theoretical expressions allow us to extract the elastic moduli, such as the bending modulus and Gaussian modulus. However, this procedure is time-consuming for liquid-crystalline bilayers. In paper reports a novel method to calculate the elastic moduli of the self-assembled liquid-crystalline bilayers within the self-consistent field theory framework. Based on the asymptotic expansion method, we derive the analytical expression of the elastic moduli, which reduces the computational cost significantly. Numerical simulations illustrate the validity and efficiency of the proposed method.
液晶态在膜中普遍存在，会显著影响自组装双层膜的弹性性质。通过计算不同几何形状的双层膜的自由能并将其拟合到理论表达式中，可以提取弹性模量，如弯曲模量和高斯模量。然而，对于液晶双层膜来说，这个过程非常耗时。本文报告了一种在自洽场理论框架内计算自组装液晶双层膜弹性模量的新方法。基于渐近展开方法，我们推导出了弹性模量的解析表达式，大大降低了计算成本。数值模拟验证了所提出方法的有效性和效率。
