计算物理 ›› 2022, Vol. 39 ›› Issue (5): 598-608.DOI: 10.19596/j.cnki.1001-246x.8467

• 研究论文 • 上一篇    下一篇

光掩膜诱导的聚合物/纳米粒子共混体系的自组装计算机模拟

王雯婷, 尹慧瑾, 潘俊星*(), 张进军*()   

  1. 山西师范大学物理与信息工程学院, 山西 太原 030000
  • 收稿日期:2021-11-05 出版日期:2022-09-25 发布日期:2023-01-07
  • 通讯作者: 潘俊星, 张进军
  • 作者简介:

    王雯婷,女,硕士研究生,研究方向为理论物理

  • 基金资助:
    山西省基础研究项目(20210302123337); 山西省高等学校科技创新项目(2019L0455)

Computer Simulation of Photomask-induced Self-assembly of Polymer/Nanoparticle Blends

Wenting WANG, Huijin YIN, Junxing PAN*(), Jinjun ZHANG*()   

  1. College of Physics and Information Engineering, Shanxi Normal University, Taiyuan, Shanxi 030000, China
  • Received:2021-11-05 Online:2022-09-25 Published:2023-01-07
  • Contact: Junxing PAN, Jinjun ZHANG

摘要:

采用基于金兹堡-朗道理论(Ginzburg-Landau Theory)的元胞动力学方法(Cell Dynamic System)研究光掩膜诱导的聚合物/纳米粒子共混体系的自组装行为。探讨掩膜、光照强度、聚合物组分比、纳米粒子浓度、聚合物-纳米粒子相互作用等因素对体系形貌形成和演化的影响, 构建体系结构与相关参数的二维相图, 同时分析结构形成的动力学过程, 揭示各参数间的相互作用机理, 获得了调控复合体系花样结构形成和转变的简便方法, 为新型高性能微纳米材料的制备提供参考。

关键词: 光掩膜, 聚合物/纳米粒子共混体系, 相分离, 有序形貌

Abstract:

Self-assembly behavior of photomask-induced polymer/nanoparticle mixing systems was studied with cell dynamic system method based on Ginzburg-Landau theory. Effects of reaction rate, number of masks, composition ratio, concentration of nanoparticles and compatibility with polymer on morphology and structure of the system were discussed in detail. A two-dimensional phase diagram of the system structure and related parameters was constructed. Interaction mechanism and rules of components in the blend system and photomask regulation were obtained.A simple method was obtained to control pattern structure formation and transformation of the composite system. It provides references for the preparation of novel high-performance micro/nano materials.

Key words: photomask, polymer/nanoparticle blend system, phase separation, order morphology