Department of Physics, Ningbo University, Ningbo 315211, China.
ACS Nano. 2011 Jan 25;5(1):123-8. doi: 10.1021/nn101886x. Epub 2010 Dec 20.
In this paper, we used combined self-consistent-field and hybrid particle-field theory to explore the self-assembly behavior of diblock copolymer-nanoparticle mixtures confined between two concentric circular walls. The simulation reveals that the structural frustration, the loss of conformational entropy of the copolymer, and the radii of the two concentric circles have great influence on the morphologies of the system. We also discuss the underlying mechanism of controlling the self-assembly of such a system in terms of enthalpic interaction between particles and copolymers, steric repulsive interactions between particles, and the conformational entropy of copolymers, and a representative phase diagram in terms of block ratio and the particle volume fraction is constructed. This study suggests a route to help experimentalists better create high-performance nanodevices.
本文采用自洽场与混合粒子场理论相结合的方法，研究了受限于两个同心圆环之间的两嵌段共聚物-纳米粒子混合物的自组装行为。模拟结果表明，结构上的失配、共聚物构象熵的损失以及两个同心圆环的半径对体系的形态有很大的影响。我们还讨论了控制这种体系自组装的内在机制，包括粒子与共聚物之间的焓相互作用、粒子之间的空间排斥相互作用以及共聚物的构象熵，并构建了一个具有代表性的相图，以嵌段比和粒子体积分数为参数。这项研究为实验人员更好地创造高性能纳米器件提供了一种途径。
