writer：Jie Cui; Zengwei Ma; Wei Li; Wei Jiang
keywords：diblock copolymer, self-assembly, shear flow, self-consistent field, lattice Boltzmann, simulation
source：期刊
specific source：Chemical Physics, 386 (2011) 81-87
Issue time：2011年

本文通过结合自洽场（SCF）和格点Boltzmann（LB）方法研究了剪切流场下双块共聚物的自组装。在同一格点上执行LB和SCF模拟，将SCF模拟结果作为LB的输入，然后将LB结果反馈给SCF模拟，这个过程一直重复直到系统达到平衡状态。这种组合模拟方法兼具LB和SCF的优点，可用于研究特定共聚物在真实剪切流场中的自组装。模拟结果显示，双块共聚物在剪切流场下的自组装形态取决于剪切速率和剪切频率，这与实验结果添合得很好。

In this paper, we study the self-assembly of diblock copolymers under shear flow by combining the self-consistent field (SCF) and lattice Boltzmann (LB) method. We perform LB and SCF simulations in the same lattice, and set SCF simulation results as the input of LB, and then feedback the LB results to SCF simulation. This process is repeated until the system reaches an equilibrium state. This combined simulation method has the advantages of both LB and SCF simulations. The simulative results imply that the self-assembled morphology of diblock copolymers under shear flow depends on the shear rate and shear frequency. The results correlate well with the experiment.

论文链接：https://doi.org/10.1016/j.chemphys.2011.06.012