Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins
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 rat...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-08-01
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| Series: | Polymers |
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| Online Access: | https://www.mdpi.com/2073-4360/14/16/3240 |
| _version_ | 1797408323769729024 |
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| author | Julian Konrad Sebastian Pfaller Dirk Zahn |
| author_facet | Julian Konrad Sebastian Pfaller Dirk Zahn |
| author_sort | Julian Konrad |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-09T03:56:47Z |
| format | Article |
| id | doaj.art-b079db262d184803a1e3916f0d65fbde |
| institution | Directory Open Access Journal |
| issn | 2073-4360 |
| language | English |
| last_indexed | 2024-03-09T03:56:47Z |
| publishDate | 2022-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Polymers |
| spelling | doaj.art-b079db262d184803a1e3916f0d65fbde2023-12-03T14:19:34ZengMDPI AGPolymers2073-43602022-08-011416324010.3390/polym14163240Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy ResinsJulian Konrad0Sebastian Pfaller1Dirk Zahn2Lehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen, GermanyLehrstuhl für Technische Mechanik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 5, 91058 Erlangen, GermanyLehrstuhl für Theoretische Chemie/Computer Chemie Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen, GermanyEpoxy 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.https://www.mdpi.com/2073-4360/14/16/3240epoxy resinsmolecular dynamicsconstitutive modelling |
| spellingShingle | Julian Konrad Sebastian Pfaller Dirk Zahn Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins Polymers epoxy resins molecular dynamics constitutive modelling |
| title | Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins |
| title_full | Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins |
| title_fullStr | Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins |
| title_full_unstemmed | Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins |
| title_short | Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins |
| title_sort | multi scale modelling of plastic deformation damage and relaxation in epoxy resins |
| topic | epoxy resins molecular dynamics constitutive modelling |
| url | https://www.mdpi.com/2073-4360/14/16/3240 |
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