节点文献
曲面自洽场方法及其应用
Self-Consistent Field Theory on Curved Surfaces and Its Applications
【Author】 Jianfeng Li;Hongdong Zhang;Feng Qiu;Department of Macromolecular Science,Fudan University;
【机构】 复旦大学高分子科学系;
【摘要】 最近,我们把球面自洽场方法[1]拓展到了普通曲面上[2],并通过考察末端分布传播子满足的扩散方程,仔细研究了曲率效应对嵌段高分子微相分离的影响。发现基于高斯链模型的嵌段高分子将免于平均曲率的影响,但会对高斯曲率作出响应,此理论分析结果得到了自洽场模拟计算的支持。
【Abstract】 In our recent work,we have extended the spherical self-consistent field theory(SCFT) of block copolymers to general curved surfaces.The curvature effects of curved surfaces on the microphase separation of block copolymers are investigated by examining the modified diffusion equation of the propagator of the end-segment distribution function.It is found that block copolymers modelled as Gaussian chains cannot detect the mean curvature but will respond to the Gaussian curvature of the surface.This assertion is tested by a series of simulations of block copolymers on general curved surfaces.
- 【会议录名称】 中国化学会2014年大分子体系理论、模拟与计算研讨会论文集
- 【会议名称】中国化学会2014年大分子体系理论、模拟与计算研讨会
- 【会议时间】2014-06-18
- 【会议地点】中国吉林长春
- 【分类号】O631
- 【主办单位】中国化学会高分子学科委员会、中国化学会计算机化学专业委员会