Theoretical Study on Stabilizing Face-centered Cubic Spheres <italic style="font-style: italic">via</italic> AB/B Binary Blends

Zhen Yang; Chao-jin Huang; Mei-jiao Liu

doi:10.11777/j.issn1000-3304.2026.26029

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Theoretical Study on Stabilizing Face-centered Cubic Spheres via AB/B Binary Blends

Research Article | 更新时间：2026-07-08

- Theoretical Study on Stabilizing Face-centered Cubic Spheres via AB/B Binary Blends
- Acta Polymerica Sinica Vol. 57, Issue 7, Pages: 1580-1593(2026)
- 作者机构：
  
  浙江理工大学化学与化工学院浙江省高分子材料表面与界面科学重点实验室杭州 310018
- 作者简介：
  
  Mei-jiao Liu, E-mail: mjliu@zstu.edu.cn
- 基金信息：
- DOI：10.11777/j.issn1000-3304.2026.26029
  CLC：
- CSTR：32057.14.GFZXB.2026.7597
- Received：02 February 2026，
  
  Accepted：31 March 2026，
  
  Online First：15 June 2026，
  
  Published：20 July 2026
- 稿件说明：
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杨桢, 黄朝金, 刘美娇. AB/B二元共混对面心立方球状结构稳定作用的理论研究. 高分子学报, 2026, 57(7), 1580-1593.

Yang, Z.; Huang, C. J.; Liu, M. J. Theoretical study on stabilizing face-centered cubic spheres via AB/B binary blends. Acta Polymerica Sinica (in Chinese), 2026, 57(7), 1580-1593.
杨桢, 黄朝金, 刘美娇. AB/B二元共混对面心立方球状结构稳定作用的理论研究. 高分子学报, 2026, 57(7), 1580-1593. DOI： 10.11777/j.issn1000-3304.2026.26029. CSTR： 32057.14.GFZXB.2026.7597.

Yang, Z.; Huang, C. J.; Liu, M. J. Theoretical study on stabilizing face-centered cubic spheres via AB/B binary blends. Acta Polymerica Sinica (in Chinese), 2026, 57(7), 1580-1593. DOI： 10.11777/j.issn1000-3304.2026.26029. CSTR： 32057.14.GFZXB.2026.7597.

摘要

密堆积结构，由于同时存在四面体与八面体空隙，导致其在纯AB两嵌段共聚物中稳定相区非常狭窄，而且研究表明，简单AB两嵌段共聚物中稳定的密堆积球状结构只有六角密堆(HCP)排列方式. 本工作利用自洽平均场理论计算方法研究AB/B共混体系相行为，发现该共混方法能有效拓宽密堆积球状结构的稳定相区间；并且发现当加入的B均聚物的含量和链长增加到一定值时，面心立方(FCC)相比HCP相更稳定. 结果表明，AB/B共混体系中B均聚物的含量和链长增加，有利于促进B嵌段与B均聚物的“局域相分离”，从而导致了球状相畴和晶胞尺寸相对更大的FCC结构的形成. 该研究为实验上制备类似的具有特殊功能的纳米结构提供了理论指导.

Abstract

Close-packed structure

owing to the coexistence of tetrahedral and octahedral voids

leads to a very narrow stable phase region in the pure AB diblock copolymers. Moreover

previous studies have shown that in the simple AB diblock copolymers

the stable close-packed spherical phase is only the hexagonal close packed (HCP) structure. In this work

we employed the self-consistent field theory (SCFT) to investigate the phase behavior of AB/B binary blends. The results demonstrated that this blending strategy can effectively broaden the stability region of close-packed spherical phases. Furthermore

it was found that

at appropriate concentrations and chain length of the added homopolymers

the face centered cubic (FCC) phase was more stable than the HCP phase. This transition was attributed to the enhanced "local segregation" between the B-blocks and B-homopolymers as the increasing concentration and chain length of the homopolymer

which promoted the formation of FCC structures with larger spherical domains and unit cell sizes. This study provides theoretical guidance for the experimental fabrication of similar nanostructures with specialized functionalities.

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Keywords

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Theoretical Study on Stabilizing Face-centered Cubic Spheres via AB/B Binary Blends

DOI：10.11777/j.issn1000-3304.2026.26029

摘要

Abstract

关键词

Keywords

references