Large deformation mechanism of glassy polyethylene polymer nanocomposites: Coarse grain molecular dynamics study
作者： Yao Fu , Jeong-Hoon Song
DOI: 10.1016/J.COMMATSCI.2014.06.003
关键词:
摘要: Abstract The polymer nanocomposites (PNCs) have shown substantially enhanced mechanical properties compared to the conventional polymers without nano-fillers. However, dominating deformation mechanism of PNCs and influence nanoparticles (NPs) on response remain elusive, especially at large deformation. In this study, we used coarse-grained (CG) molecular dynamics (MD) model investigate polyethylene (PE)-based glassy state. Spherical NPs are modeled by Lennard-Jones (LJ) sites placed spherical shells interact with PE through LJ potential. We found that NP/polymer interaction strength between NP as well volume fraction key factors determine PNCs. addition affects behaviors under tension compression differently. deform affinely during can be reinforced adding – long is higher than polymer/polymer strength. very susceptible localized upon could introduce non-uniform stress distribution in matrix reduce number entanglements. tensile loading inhibited when sufficiently much
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