Long-Range Ordered Nanostructures of Assembling Macromolecules <italic style="font-style: italic">via</italic> Rational Design of Kinetic Pathways: A Computational Perspective

Liang-Shun Zhang

doi:10.1007/s10118-023-2942-2

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Long-Range Ordered Nanostructures of Assembling Macromolecules via Rational Design of Kinetic Pathways: A Computational Perspective

PERSPECTIVE | Updated：2023-08-24

- Long-Range Ordered Nanostructures of Assembling Macromolecules via Rational Design of Kinetic Pathways: A Computational Perspective
- Chinese Journal of Polymer Science Vol. 41, Issue 9, Pages: 1318-1328(2023)
- Affiliations：
  
  Shanghai Key Laboratory of Advanced Polymeric Materials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China
- Author bio：
  
  zhangls@ecust.edu.cn
- Funds：
- DOI：10.1007/s10118-023-2942-2
  CLC：
- Received：29 November 2022，
  
  Revised：2022-12-20，
  
  Accepted：30 December 2022，
  
  Online First：03 March 2023，
  
  Published：01 September 2023
- Accepted：
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Zhang, L. S. Long-range ordered nanostructures of assembling macromolecules via rational design of kinetic pathways: a computational perspective. Chinese J. Polym. Sci. 2023, 41, 1318–1328

Liang-Shun Zhang. Long-Range Ordered Nanostructures of Assembling Macromolecules via Rational Design of Kinetic Pathways: A Computational Perspective[J]. Chinese Journal of Polymer Science, 2023, 41(9): 1318-1328.
Zhang, L. S. Long-range ordered nanostructures of assembling macromolecules via rational design of kinetic pathways: a computational perspective. Chinese J. Polym. Sci. 2023, 41, 1318–1328 DOI： 10.1007/s10118-023-2942-2.

Liang-Shun Zhang. Long-Range Ordered Nanostructures of Assembling Macromolecules via Rational Design of Kinetic Pathways: A Computational Perspective[J]. Chinese Journal of Polymer Science, 2023, 41(9): 1318-1328. DOI： 10.1007/s10118-023-2942-2.

摘要

We summarize our efforts of theoretical and computational modelling to understand the long-range ordering mechanisms and the organization kinetics of assembling macromolecules (e.g.

block copolymers and their nanocomposites as well as patchy micelles and DNA-functionalized nanoparticles) along designable pathways.

Abstract

Designing the kinetic pathways of assembling macromolecules such as block copolymers and DNA strands is crucial not only for an achievement of thermodynamically equilibrium nanostructures over macroscopic areas

but also for a better understanding of formation process of higher-level superstructures where well-tailored assemblies act as mesoscopic building units. Theoretical analysis and computer simulations provide excellent opportunities to microscopically reveal the kinetics and mechanism of structural evolution as well as the collective behaviors of building units. In this perspective

we summarize our efforts of theoretical and computational modelling to understand the long-range ordering mechanisms and the organization kinetics of assembling macromolecules along designable pathways. First

we present the computational modelling and recent strategies of designable pathways for the achievement of long-range ordering. Then

from the computational views

we give the applications of pathway-designed strategies to explore the ordering mechanism and kinetics in the course of structural evolution

covering the block copolymers and their nanocomposites under zone annealing as well as the hierarchical self-assembly of mesoscopic building units (

e.g.

patchy micelles and DNA-functionalized nanoparticles). Finally

we outlook future directions in the field of designable pathways for the achievement of long-range ordered nanostructures. This perspective could promote further efforts towards the wide applications of theoretical and computational modelling in the construction of soft hybrid metamaterials.

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Long-Range Ordered Nanostructures of Assembling Macromolecules via Rational Design of Kinetic Pathways: A Computational Perspective

DOI：10.1007/s10118-023-2942-2

摘要

Abstract

关键词

Keywords

references