ArticleThe journal of physical chemistry. B2023
Tensile Stress Reduction and Strain Concentration of Epoxy Resin Caused by Heterogeneity: A Multiscale Approach Combining Molecular Dynamics Simulation and Finite Element Method.
Article in The journal of physical chemistry. B, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- Molecular Dynamics Simulation of Cross-linked Epoxy Resins: Past and Future.Macromolecular rapid communications · 2025Review
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2 authors.
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Abstract
In this study, we investigated the effect of heterogeneity on the mechanical properties of epoxy resin by combining coarse-grained molecular dynamics (CG-MD) and finite element method (FEM) simulations. To evaluate the heterogeneity effect in the uniaxial elongation, heterogeneous and homogeneous FEM models of micrometer-scale cubic epoxy resin were constructed. For the heterogeneous FEM model, parameters of nanometer-scale elements were determined by CG-MD simulations, where nanometer-scale blocks have different cross-linked structures. For the homogeneous FEM model, the averaged parameters were used for all elements. The calculated stress-strain (S-S) curves of the heterogeneous model exhibit similar tensile stress values when compared to the experimental data, whereas the homogeneous model yields notably higher values. Moreover, a clear strain concentration associated with the formation of the shear band-like structure was observed in the heterogeneous model and not in the homogeneous model.
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