ArticlePolymers2024
Impact of Hexyl Branch Content on the Mechanical Properties and Deformation Mechanisms of Amorphous Ethylene/1-Octene Copolymers: A Molecular Dynamics Study.
Article in Polymers, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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4 citing papers in PubMed.
- Molecular Insights into Miscibility and Mechanical Modulation in PHBV/Chitosan Blends via Atomistic Simulations.Polymer · 2026Article
- Tailoring Impact Toughness of PA6: Isolated Effects of Modifier Octene Content and Molecular Weight in MAH-Grafted EOR Copolymers.Polymers · 2026Article
- Article
- The Stiffness for Viscous Deformation in the Interlamellar Amorphous Region of Polyethylene.Polymers · 2025Article
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6 authors.
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Abstract
Ethylene/1-octene copolymers exhibit enhanced flexibility and impact resistance compared to polyethylene, which makes them well suited for applications in advanced plastics and elastomers. United-atom molecular dynamics (MD) simulations were conducted to explore the mechanical behavior and deformation mechanisms of ethylene/1-octene copolymers under uniaxial tensile loading. This study systematically examined the influence of temperature, polymer chain length, chain quantity, and strain rate, with a specific focus on how hexyl branch content impacts the mechanical properties of amorphous ethylene/1-octene copolymers. The simulation results indicate that as the branch content increases, the yield strength and elastic modulus decrease, suggesting a trade-off between flexibility and mechanical strength. Energy decomposition analysis reveals that copolymers with more branched chains undergo greater changes in van der Waals energy. Additionally, as the branch content increases, the reduction in dihedral angle energy in the strain hardening region becomes more gradual, and the rate and the extent of the transition of dihedral angles from
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