Ordered quasi-two-dimensional structure of nanoparticles in semiflexible ring polymer brushes under compression

doi:10.1007/s11467-017-0665-y

Front. Phys.

2017, Vol. 12

Issue (3) : 128701 https://doi.org/10.1007/s11467-017-0665-y

RESEARCH ARTICLE

Ordered quasi-two-dimensional structure of nanoparticles in semiflexible ring polymer brushes under compression

Yunfeng Hua,Zhenyu Deng,Yangwei Jiang,Linxi Zhang(

)

Department of Physics, Zhejiang University, Hangzhou 310027, China

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Abstract

Molecular dynamics simulations of a coarse-grained bead-spring model of ring polymer brushes under compression are presented. Flexible polymer brushes are always disordered during compression, whereas semiflexible polymer brushes tend to be ordered under sufficiently strong compression. Further, the polymer monomer density of the semiflexible polymer brush is very high near the brush surface, inducing a peak value of the free energy near the surface. Therefore, when nanoparticles are compressed in semiflexible ring polymer brushes, they tend to exhibit a closely packed single-layer structure between the brush surface and the impenetrable wall, and a quasi-two-dimensional ordered structure near the brush surface is formed under strong compression. These findings provide a new approach to designing responsive applications.

Keywords molecular dynamics simulation semiflexible ring polymer brushes nanoparticle compression ordered structure

Corresponding Author(s): Linxi Zhang

Issue Date: 17 March 2017

Cite this article:

Yunfeng Hua,Zhenyu Deng,Yangwei Jiang, et al. Ordered quasi-two-dimensional structure of nanoparticles in semiflexible ring polymer brushes under compression[J]. Front. Phys. , 2017, 12(3): 128701.

URL:

https://academic.hep.com.cn/fop/EN/10.1007/s11467-017-0665-y
https://academic.hep.com.cn/fop/EN/Y2017/V12/I3/128701

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