Shape Accuracy and Residual Stress Distribution of Nano-molded Semicrystalline Polymer: A Simulation Study

Dan Xu; Yu-Yuan Lu; Chuan-Fu Luo

doi:10.1007/s10118-022-2712-6

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Shape Accuracy and Residual Stress Distribution of Nano-molded Semicrystalline Polymer: A Simulation Study

RESEARCH ARTICLE | Updated：2022-05-24

- Shape Accuracy and Residual Stress Distribution of Nano-molded Semicrystalline Polymer: A Simulation Study
- Shape Accuracy and Residual Stress Distribution of Nano-molded Semicrystalline Polymer: A Simulation Study
- Chinese Journal of Polymer Science 2022年40卷第6期页码：642-650
- Affiliations：
  
  a.State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  b.University of Science and Technology of China, School of Applied Chemistry and Engineering, Hefei 230026, China
- Author bio：
  
  yylu@ciac.ac.cn (Y.Y.L.)
  luocf@ciac.ac.cn (C.F.L.)
- Funds：
  
  This work was financially supported by the National Natural Science Foundation of China (Nos. 21873093, 21790340, 22073092 and 22103080), the National Key R&D Program of China (No. 2020YFA0713601), and the Key Research Program of Frontier Sciences, CAS (No. QYZDY-SSW-SLH027).
- DOI：10.1007/s10118-022-2712-6
  中图分类号：
- 收稿：2021-12-31，
  
  修回：2022-1-28，
  
  录用：2022-2-7，
  
  网络首发：2022-04-22，
  
  纸质出版：2022-06-01
- Accepted：
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Xu, D.; Lu, Y. Y.; Luo, C. F. Shape accuracy and residual stress distribution of nano-molded semicrystalline polymer: a simulation study. Chinese J. Polym. Sci. 2022, 40, 642–650

Dan Xu, Yu-Yuan Lu, Chuan-Fu Luo. Shape Accuracy and Residual Stress Distribution of Nano-molded Semicrystalline Polymer: A Simulation Study[J]. Chinese Journal of Polymer Science, 2022, 40(6): 642-650.
Xu, D.; Lu, Y. Y.; Luo, C. F. Shape accuracy and residual stress distribution of nano-molded semicrystalline polymer: a simulation study. Chinese J. Polym. Sci. 2022, 40, 642–650 DOI： 10.1007/s10118-022-2712-6.

Dan Xu, Yu-Yuan Lu, Chuan-Fu Luo. Shape Accuracy and Residual Stress Distribution of Nano-molded Semicrystalline Polymer: A Simulation Study[J]. Chinese Journal of Polymer Science, 2022, 40(6): 642-650. DOI： 10.1007/s10118-022-2712-6.

摘要

The residual stress distribution and shape accuracy by characterizing the curvature of a nano-molded semicrystalline polymer is studied by molecular dynamics simulations. The results provide a theoretical guidance to understand and improve the shape accuracy and mechanical properties of nanoscale polymer products.

Abstract

The shape accuracy and residual stress distribution of a nano-molded semicrystalline polymer are studied by molecular dynamics simulations. Semicrystalline polyethylene flakes are obtained by continuous cooling inside templates with four shapes. We find that the curvature of contour curve near template corners decreases with corner angle. A simple 2D shape model of minimum surface energy is proposed to understand the shapes for repulsive and attractive templates. The confinement of template induces highly ordered chain packing in surface region. According to the spacial distribution of local stress

we find the contracting stress caused by volume shrinkage during cooling concentrates on the chains perpendicular to the direction of relative stress principal. The distribution of von Mises stress indicates the outer layer of semicrystalline polymer flake has lower distortion. Our results provide a theoretical insight for better nano-molding techniques.

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references

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