292
X. Wu and J. A. El-Awady
19. T. Yang, Mechanical and swelling properties of hydrogels. Ph.D. thesis, Royal Institute of
Technology in Stockholm (2012)
20. C.L. Sherman, R.C. Zeigler, N.E. Verghese, M.J. Marks, Structure–property relationships
of controlled epoxy networks with quantified levels of excess epoxy etherification. Polymer
49(5), 1164–1172 (2008)
21. S. Morsch, Y. Liu, S.B. Lyon, S.R. Gibbon, Insights into epoxy network nanostructural
heterogeneity using afm-ir. ACS Appl. Mater. Interfaces 8(1), 959–966 (2015)
22. B. Kim, J. Choi, S. Yang, S. Yu, M. Cho, Multiscale modeling of interphase in crosslinked
epoxy nanocomposites. Compos. Part B 120, 128–142 (2017)
23. M. Wong, M. Paramsothy, X.J. Xu, Y. Ren, S. Li, K. Liao, Physical interactions at carbon
nanotube-polymer interface. Polymer 44(25), 7757–7764 (2003)
24. H.B. Fan, M.M.F. Yuen, Material properties of the cross-linked epoxy resin compound
predicted by molecular dynamics simulation. Polymer 48(7), 2174–2178 (2007)
25. C.F. Wu, W.J. Xu, Atomistic molecular modelling of crosslinked epoxy resin. Polymer 48,
6004 (2006)
26. S. Yang, Z. Cui, J. Qu, A coarse-grained model for epoxy molding compound. J. Phys. Chem.
B 118, 1660–1669 (2014)
27. A. Aramoon, T.D. Breitzman, C. Woodward, J.A. El-Awady, Coarse-grained molecular
dynamics study of the curing and properties of highly cross-linked epoxy polymers. J. Phys.
Chem. B 120(35), 9495–9505 (2016)
28. G.M. Odegard, B.D. Jensen, S. Gowtham, J. Wu, J. He, Z. Zhang, Predicting mechanical
response of crosslinked epoxy using reaxff. Chem. Phys. Lett. 591, 175–178 (2014)
29. A. Vashisth, C. Ashraf, C.E. Bakis, A.C.T. van Duin, Effect of chemical structure on thermomechanical properties of epoxy polymers: comparison of accelerated reaxff simulations and
experiments. Polymer 158, 354–363 (2018)
30. M. Panico, S. Narayanan, L.C. Brinson, Simulations of tensile failure in glassy polymers:
effect of cross-link density. Model. Simul. Mater. Sci. Eng. 18(5), 055005 (2010)
31. C. Li, A. Strachan, Molecular dynamics predictions of thermal and mechanical properties of
thermoset polymer epon862/detda. Polymer 52(13), 2920–2928 (2011)
32. K. Friedrich, T. Goda, K. Varadi, B. Wetzel, Finite element simulation of the fiber–matrix
debonding in polymer composites produced by a sliding indentor: Part I – normally oriented
fibers. J. Compos. Mater. 38(18), 1583–1606 (2004)
33. A.R. Maligno, N.A. Warrior, A.C. Long, Finite element investigations on the microstructure
of fibre-reinforced composites. Express Polym. Lett. 2(9), 665–676 (2008)
34. D. Esqué-de los Ojos, R. Ghisleni, A. Battisti, G. Mohanty, J. Michler, J. Sort, A.J. Brunner,
Understanding the mechanical behavior of fiber/matrix interfaces during push-in tests by
means of finite element simulations and a cohesive zone model. Comput. Mater. Sci. 117,
330–337 (2016)
35. M.M. Moure, S.K. Garcí-a-Castillo, S. Sánchez-Sáez, E. Barbero, E.J. Barbero, Matrix
cracking evolution in open-hole laminates subjected to thermo-mechanical loads. Compos.
Struct. 183, 510–520 (2018)
36. G. Allegra, G. Raos, M. Vacatello, Theories and simulations of polymer-based nanocomposites: from chain statistics to reinforcement. Prog. Polym. Sci. 33(7), 683–731 (2008)
37. A. Karatrantos, N. Clarke, M. Kröger, Modeling of polymer structure and conformations in
polymer nanocomposites from atomistic to mesoscale: a review. Polym. Rev. 56(3), 385–428
(2016)
38. Q.H. Zeng, A.B. Yu, G.Q. Lu, Multiscale modeling and simulation of polymer nanocomposites. Prog. Polym. Sci. 33(2), 191–269 (2008)
39. I. Yarovsky, E. Evans, Computer simulation of structure and properties of crosslinked
polymers: application to epoxy resins. Polymer 43(3), 963–969 (2002)
40. C. Wu, W. Xu, Atomistic molecular modelling of crosslinked epoxy resin. Polymer 47(16),
6004–6009 (2006)
X. Wu and J. A. El-Awady
19. T. Yang, Mechanical and swelling properties of hydrogels. Ph.D. thesis, Royal Institute of
Technology in Stockholm (2012)
20. C.L. Sherman, R.C. Zeigler, N.E. Verghese, M.J. Marks, Structure–property relationships
of controlled epoxy networks with quantified levels of excess epoxy etherification. Polymer
49(5), 1164–1172 (2008)
21. S. Morsch, Y. Liu, S.B. Lyon, S.R. Gibbon, Insights into epoxy network nanostructural
heterogeneity using afm-ir. ACS Appl. Mater. Interfaces 8(1), 959–966 (2015)
22. B. Kim, J. Choi, S. Yang, S. Yu, M. Cho, Multiscale modeling of interphase in crosslinked
epoxy nanocomposites. Compos. Part B 120, 128–142 (2017)
23. M. Wong, M. Paramsothy, X.J. Xu, Y. Ren, S. Li, K. Liao, Physical interactions at carbon
nanotube-polymer interface. Polymer 44(25), 7757–7764 (2003)
24. H.B. Fan, M.M.F. Yuen, Material properties of the cross-linked epoxy resin compound
predicted by molecular dynamics simulation. Polymer 48(7), 2174–2178 (2007)
25. C.F. Wu, W.J. Xu, Atomistic molecular modelling of crosslinked epoxy resin. Polymer 48,
6004 (2006)
26. S. Yang, Z. Cui, J. Qu, A coarse-grained model for epoxy molding compound. J. Phys. Chem.
B 118, 1660–1669 (2014)
27. A. Aramoon, T.D. Breitzman, C. Woodward, J.A. El-Awady, Coarse-grained molecular
dynamics study of the curing and properties of highly cross-linked epoxy polymers. J. Phys.
Chem. B 120(35), 9495–9505 (2016)
28. G.M. Odegard, B.D. Jensen, S. Gowtham, J. Wu, J. He, Z. Zhang, Predicting mechanical
response of crosslinked epoxy using reaxff. Chem. Phys. Lett. 591, 175–178 (2014)
29. A. Vashisth, C. Ashraf, C.E. Bakis, A.C.T. van Duin, Effect of chemical structure on thermomechanical properties of epoxy polymers: comparison of accelerated reaxff simulations and
experiments. Polymer 158, 354–363 (2018)
30. M. Panico, S. Narayanan, L.C. Brinson, Simulations of tensile failure in glassy polymers:
effect of cross-link density. Model. Simul. Mater. Sci. Eng. 18(5), 055005 (2010)
31. C. Li, A. Strachan, Molecular dynamics predictions of thermal and mechanical properties of
thermoset polymer epon862/detda. Polymer 52(13), 2920–2928 (2011)
32. K. Friedrich, T. Goda, K. Varadi, B. Wetzel, Finite element simulation of the fiber–matrix
debonding in polymer composites produced by a sliding indentor: Part I – normally oriented
fibers. J. Compos. Mater. 38(18), 1583–1606 (2004)
33. A.R. Maligno, N.A. Warrior, A.C. Long, Finite element investigations on the microstructure
of fibre-reinforced composites. Express Polym. Lett. 2(9), 665–676 (2008)
34. D. Esqué-de los Ojos, R. Ghisleni, A. Battisti, G. Mohanty, J. Michler, J. Sort, A.J. Brunner,
Understanding the mechanical behavior of fiber/matrix interfaces during push-in tests by
means of finite element simulations and a cohesive zone model. Comput. Mater. Sci. 117,
330–337 (2016)
35. M.M. Moure, S.K. Garcí-a-Castillo, S. Sánchez-Sáez, E. Barbero, E.J. Barbero, Matrix
cracking evolution in open-hole laminates subjected to thermo-mechanical loads. Compos.
Struct. 183, 510–520 (2018)
36. G. Allegra, G. Raos, M. Vacatello, Theories and simulations of polymer-based nanocomposites: from chain statistics to reinforcement. Prog. Polym. Sci. 33(7), 683–731 (2008)
37. A. Karatrantos, N. Clarke, M. Kröger, Modeling of polymer structure and conformations in
polymer nanocomposites from atomistic to mesoscale: a review. Polym. Rev. 56(3), 385–428
(2016)
38. Q.H. Zeng, A.B. Yu, G.Q. Lu, Multiscale modeling and simulation of polymer nanocomposites. Prog. Polym. Sci. 33(2), 191–269 (2008)
39. I. Yarovsky, E. Evans, Computer simulation of structure and properties of crosslinked
polymers: application to epoxy resins. Polymer 43(3), 963–969 (2002)
40. C. Wu, W. Xu, Atomistic molecular modelling of crosslinked epoxy resin. Polymer 47(16),
6004–6009 (2006)