文献类型：期刊文献

英文题名：Theoretical and Simulation Studies of Hierarchical Nanostructures Self-Assembled from Soft Matter Systems

作者：Zhang, Liangshun[1]; Lin, Jiaping[1]

机构：[1] Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai, China

年份：2016

起止页码：254

外文期刊名：Self-Assembling Systems: Theory and Simulation

收录：EI(收录号：20182705450495)

语种：英文

外文关键词：Microphase separation - Solvents - Supramolecular chemistry - Computation theory - Self assembly - Hierarchical systems - Nanoparticles - Aggregates - Molecules

摘要：This chapter focuses on recent progress in design strategies of structural hierarchy from the point of view of computational modeling. It summarizes the simulation approaches for the self-assembly of soft matter. The chapter concentrates on the superstructures of polymer-based systems via the multistep process of self-assembly. It focuses on hierarchical nanostructures self-assembled from block copolymer melts, multicompartment aggregates from block copolymer solutions, and hierarchically ordered nanocomposites formed by organic-inorganic systems. Block copolymers composed of two or more chemically different species constitute an important class of soft materials, which are capable of spontaneously assembling into hierarchical structures. For block copolymers in poor solvent, macrophase separation between the polymers and the solvent molecules leads to large-length-scale aggregates, and microphase separation of block copolymers inside the aggregates determines the morphologies of subdomains under soft-confinement environments. Hierarchical control over the placement of inorganic nanoparticles greatly facilitates the fabrication of nanodevices with enhanced functions. ? 2017 by John Wiley & Sons, Ltd. All rights reserved.