4.7 Article

Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins

期刊

POLYMERS
卷 14, 期 16, 页码 -

出版社

MDPI
DOI: 10.3390/polym14163240

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epoxy resins; molecular dynamics; constitutive modelling

资金

  1. Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) [377472739/GRK 2423/1-2019]

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The plasticity and damage of epoxy resin were studied using molecular dynamic simulations, and a physically motivated constitutive model was proposed to interpret experimental data.
Epoxy resin plasticity and damage was studied from molecular dynamic simulations and interpreted by the help of constitutive modelling. For the latter, we suggested a physically motivated approach that aims at interpolating two well-defined limiting cases; namely, pulling at the vanishing strain rate and very rapid deformation; here, taken as 50% of the speed of sound of the material. In turn, to consider 0.1-10-m/s-scale deformation rates, we employed a simple relaxation model featuring exponential stress decay with a relaxation time of 1.5 ns. As benchmarks, deformation and strain reversal runs were performed by molecular dynamic simulations using two different strain rates. Our analyses show the importance of molecular rearrangements within the epoxy network loops for rationalizing the strain-rate dependence of plasticity and residual stress upon strain reversal. To this end, our constitutive model reasonably reproduced experimental data of elastic and visco-elastic epoxy deformation, along with the maximum stress experienced before fracturing. Moreover, we show the importance of introducing damage elements for mimicking the mechanical behavior of epoxy resins.

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