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通过元胞动力学模拟研究剪切和电场作用下嵌段共聚物的立方相。I. 球形相

Cubic phases of block copolymers under shear and electric fields by cell dynamics simulation. I. Spherical phase.

作者信息

Pinna Marco, Zvelindovsky Andrei V, Todd S, Goldbeck-Wood G

机构信息

Centre for Materials Science, Department of Physics, Astronomy and Mathematics, University of Central Lancashire, Preston PR1 2HE, United Kingdom.

出版信息

J Chem Phys. 2006 Oct 21;125(15):154905. doi: 10.1063/1.2356468.

Abstract

Cell dynamics simulation is used to investigate pathways of sphere-to-cylinder transition in block copolymer melt under applied simple shear flow and electric field. Both fields can induce the transition when their strength is above some critical value. At weak fields the spherical phase is preserved, with spheres being deformed into ellipsoids. Weak shear flow is found to improve order in the spherical phase. Observed sliding of layers of spheres under shear is very similar to the experimental finding by Hamley et al. [J. Chem. Phys. 108, 6929 (1998)]. The kinetic pathways are sensitive to the degree of microphase separation in the system and hence affected by temperature. The details of the pathways are described by means of Minkowski functionals.

摘要

细胞动力学模拟用于研究在简单剪切流和电场作用下嵌段共聚物熔体中球状体到圆柱体转变的途径。当这两种场的强度高于某个临界值时,它们都能诱导转变。在弱场中,球形相得以保留,球体变形为椭球体。发现弱剪切流可改善球形相的有序性。观察到的球体层在剪切作用下的滑动与哈姆利等人 [《化学物理杂志》108, 6929 (1998)] 的实验结果非常相似。动力学途径对系统中的微相分离程度敏感,因此受温度影响。通过闵可夫斯基泛函描述了这些途径的细节。

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