摘要
采用动态密度泛函理论,对本体为柱状相的两嵌段共聚物受限于纳米碗中的相行为进行了模拟研究。考察了纳米碗大小和表面作用强度对自组装纳米结构的影响。通过逐渐增大纳米碗直径和衬底相互作用,一方面再现了两嵌段共聚物受限于硅纳米碗实验中出现的纳米结构(单球结构、圆环与中心球结构、六角排列的球结构),另一方面,对碗状受限空间和表面诱导可能出现的新结构进行了预言。此外,利用序参量对自组装过程的物理机制进行了分析。
Using dynamic density functional theory （DDFT）,the phase behavior of the cylinder-forming diblock copolymer confined in nanobowls was studied.The effects of the nanobowl size and the surface field strength on the self-assembly nanostructure were investigated.By increasing the size of the nanobowl and the surface field strength,the morphologies of the diblock copolymers confined in the silica nanobowl were reproduced in the simulations,such as,the single sphere structure,the center-symmetrical ring and a sphere at the center,the hexagonal-arranged sphere.On the other hand,the new structures induced by the sizes of nanobowls and the surface field strength were predicted.In addition,the physical mechanisms of self-assembly process were analyzed by the order parameter.
出处
《材料导报》
EI
CAS
CSCD
北大核心
2014年第18期132-136,共5页
Materials Reports
基金
中央高校基本科研业务费理学专项(3122013k003)
中国民航大学科研启动基金(K27074)
中国民航大学实验技术创新基金(04-14-01)
国家自然科学基金(21104094)
