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International Journal for Multiscale Computational Engineering
IF: 1.016 5-Year IF: 1.194 SJR: 0.554 SNIP: 0.68 CiteScore™: 1.18

ISSN Print: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v3.i2.30
pages 149-160

Computational Characterization of Micro- to Macroscopic Deformation Behavior of Amorphous, Crystalline, and Semicrystalline Polyethylene

Yoshihiro Tomita
Graduate School of Science and Technology, Kobe University, Nada Kobe, 657-8501 Japan
Makoto Uchida
Graduate School of Science and Technology, Kobe University, Nada Kobe, 657-8501 Japan

ABSTRACT

High-density polyethylene (HDPE) is a widely used polymer that contains amorphous and crystalline phases. First, the micro- to macroscopic deformation behavior of an amorphous phase with a heterogeneous distribution of molecular chains, in other words, the distribution of the initial shear strength and single crystalline phase, is investigated by means of computational simulation with the nonaffine molecular chain network model and crystalline theory with a prescribed chain directional extendibility. The results clarify the onset of microscopic shear bands emanating from the slightly weak points and their evolution, interaction, and percolation in the amorphous polymer. Very different deformation behaviors that depend on the applied stress are clarified in terms of the rotation of the chain slip direction in the crystalline phase. Then, the characteristic feature of the deformation and evolution of the interface undulation of composite blocks comprised of amorphous and crystalline phases under uniform tension and compression is clarified. The effects of heterogeneity of the initial shear strength on the interfacial deformation and the deformation of the crystalline phase, and their interactions, which will provide detailed information on the semicrystalline polymer, are given.


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