Multiscale Modeling of Epoxies and Epoxy-Based Composites
295
81. J. Choi, H. Shin, M. Cho, A multiscale mechanical model for the effective interphase of
SWNT/epoxy nanocomposite. Polymer 89, 159–171 (2016)
82. J. Choi, H. Shin, S. Yang, M. Cho, The influence of nanoparticle size on the mechanical
properties of polymer nanocomposites and the associated interphase region: a multiscale
approach. Compos. Struct. 119, 365–376 (2015)
83. C. Li, A. Strachan, Molecular scale simulations on thermoset polymers: a review. J. Polym.
Sci. B Polym. Phys. 53(2), 103–122 (2015)
84. P.V. Komarov, C. Yu-Tsung, C. Shih-Ming, P.G. Khalatur, P. Reineker, Highly cross-linked
epoxy resins: an atomistic molecular dynamics simulation combined with a mapping/reverse
mapping procedure. Macromolecules 40(22), 8104–8113 (2007)
85. D.R. Heine, G.S. Grest, C.D. Lorenz, M. Tsige, M.J. Stevens, Atomistic simulations of endlinked poly (dimethylsiloxane) networks: structure and relaxation. Macromolecules 37(10),
3857–3864 (2004)
86. F.G. Garcia, B.G. Soares, V.J.R.R. Pita, R. Sánchez, J. Rieumont, Mechanical properties of
epoxy networks based on dgeba and aliphatic amines. J. Appl. Polym. Sci. 106(3), 2047–2055
(2007)
87. J.L. Tack, Thermodynamic and mechanical properties of EPON 862 with curing agent
detda by molecular simulation. Technical report, Texas A and M University College Station,
Department of Chemical Engineering (2006)
88. L. Sun, G.L. Warren, J.Y. O’reilly, W.N. Everett, S.M. Lee, D. Davis, D. Lagoudas, H.-J.
Sue, Mechanical properties of surface-functionalized swcnt/epoxy composites. Carbon 46(2),
320–328 (2008)
89. Y. Zhou, F. Pervin, L. Lewis, S. Jeelani, Experimental study on the thermal and mechanical
properties of multi-walled carbon nanotube-reinforced epoxy. Mater. Sci. Eng. A 452, 657–
664 (2007)
90. N.B. Shenogina, M. Tsige, S.S. Patnaik, S.M. Mukhopadhyay, Molecular modeling approach
to prediction of thermo-mechanical behavior of thermoset polymer networks. Macromolecules 45(12), 5307–5315 (2012)
91. B. Burton, D. Alexander, H. Klein, A. Garibay-Vasquez, A. Pekarik, C. Henkee, Epoxy
formulations using jeffamine polyetheramines (2005)
92. H.J. Zhang, S. Sellaiyan, T. Kakizaki, A. Uedono, Y. Taniguchi, K. Hayashi, Effect of freevolume holes on dynamic mechanical properties of epoxy resins for carbon-fiber-reinforced
polymers. Macromolecules 50(10), 3933–3942 (2017)
93. G. Dlubek, E.M. Hassan, R. Krause-Rehberg, J. Pionteck, Free volume of an epoxy resin
and its relation to structural relaxation: evidence from positron lifetime and pressure-volumetemperature experiments. Phys. Rev. E 73(3), 031803 (2006)
94. A. Aramoon, A multiscale ccomputational framework to predict deformation and failure in
polymer matrix composites. Ph.D thesis, Johns Hopkins University (2016)
95. Q. Deng, Y.C. Jean, Free-volume distributions of an epoxy polymer probed by positron
annihilation: pressure dependence. Macromolecules 26(1), 30–34 (1993)
96. Y.C. Jean, Q. Deng, Direct measurement of free-volume hole distributions in polymers by
using a positronium probe. J. Polym. Sci. B Polym. Phys. 30(12), 1359–1364 (1992)
97. S. Tamrakar, R. Ganesh, S. Sockalingam, B.Z. Haque, J.W. Gillespie, Experimental investigation of strain rate and temperature dependent response of an epoxy resin undergoing large
deformation. J. Dyn. Behav. Mater. 4(1), 114–128 (2018)
98. S.A. Barr, G.S. Kedziora, A.M. Ecker, J.C. Moller, R.J. Berry, T.D. Breitzman, Bond breaking
in epoxy systems: a combined qm/mm approach. J. Chem. Phys. 144(24), 244904 (2016)
99. B. Fiedler, M. Hojo, S. Ochiai, K. Schulte, M. Ando, Failure behavior of an epoxy matrix
under different kinds of static loading. Compos. Sci. Technol. 61(11), 1615–1624 (2001)
100. A. Gilat, R.K. Goldberg, G.D. Roberts, Strain rate sensitivity of epoxy resin in tensile and
shear loading. J. Aerosp. Eng. 20(2), 75–89 (2007)
101. X. Wu, A. Aramoon, J.A. El-Awady, A hierarchical multiscale approach for modeling the
deformation and failure of epoxy-based polymer matrix composites. Under Review (2019)
295
81. J. Choi, H. Shin, M. Cho, A multiscale mechanical model for the effective interphase of
SWNT/epoxy nanocomposite. Polymer 89, 159–171 (2016)
82. J. Choi, H. Shin, S. Yang, M. Cho, The influence of nanoparticle size on the mechanical
properties of polymer nanocomposites and the associated interphase region: a multiscale
approach. Compos. Struct. 119, 365–376 (2015)
83. C. Li, A. Strachan, Molecular scale simulations on thermoset polymers: a review. J. Polym.
Sci. B Polym. Phys. 53(2), 103–122 (2015)
84. P.V. Komarov, C. Yu-Tsung, C. Shih-Ming, P.G. Khalatur, P. Reineker, Highly cross-linked
epoxy resins: an atomistic molecular dynamics simulation combined with a mapping/reverse
mapping procedure. Macromolecules 40(22), 8104–8113 (2007)
85. D.R. Heine, G.S. Grest, C.D. Lorenz, M. Tsige, M.J. Stevens, Atomistic simulations of endlinked poly (dimethylsiloxane) networks: structure and relaxation. Macromolecules 37(10),
3857–3864 (2004)
86. F.G. Garcia, B.G. Soares, V.J.R.R. Pita, R. Sánchez, J. Rieumont, Mechanical properties of
epoxy networks based on dgeba and aliphatic amines. J. Appl. Polym. Sci. 106(3), 2047–2055
(2007)
87. J.L. Tack, Thermodynamic and mechanical properties of EPON 862 with curing agent
detda by molecular simulation. Technical report, Texas A and M University College Station,
Department of Chemical Engineering (2006)
88. L. Sun, G.L. Warren, J.Y. O’reilly, W.N. Everett, S.M. Lee, D. Davis, D. Lagoudas, H.-J.
Sue, Mechanical properties of surface-functionalized swcnt/epoxy composites. Carbon 46(2),
320–328 (2008)
89. Y. Zhou, F. Pervin, L. Lewis, S. Jeelani, Experimental study on the thermal and mechanical
properties of multi-walled carbon nanotube-reinforced epoxy. Mater. Sci. Eng. A 452, 657–
664 (2007)
90. N.B. Shenogina, M. Tsige, S.S. Patnaik, S.M. Mukhopadhyay, Molecular modeling approach
to prediction of thermo-mechanical behavior of thermoset polymer networks. Macromolecules 45(12), 5307–5315 (2012)
91. B. Burton, D. Alexander, H. Klein, A. Garibay-Vasquez, A. Pekarik, C. Henkee, Epoxy
formulations using jeffamine polyetheramines (2005)
92. H.J. Zhang, S. Sellaiyan, T. Kakizaki, A. Uedono, Y. Taniguchi, K. Hayashi, Effect of freevolume holes on dynamic mechanical properties of epoxy resins for carbon-fiber-reinforced
polymers. Macromolecules 50(10), 3933–3942 (2017)
93. G. Dlubek, E.M. Hassan, R. Krause-Rehberg, J. Pionteck, Free volume of an epoxy resin
and its relation to structural relaxation: evidence from positron lifetime and pressure-volumetemperature experiments. Phys. Rev. E 73(3), 031803 (2006)
94. A. Aramoon, A multiscale ccomputational framework to predict deformation and failure in
polymer matrix composites. Ph.D thesis, Johns Hopkins University (2016)
95. Q. Deng, Y.C. Jean, Free-volume distributions of an epoxy polymer probed by positron
annihilation: pressure dependence. Macromolecules 26(1), 30–34 (1993)
96. Y.C. Jean, Q. Deng, Direct measurement of free-volume hole distributions in polymers by
using a positronium probe. J. Polym. Sci. B Polym. Phys. 30(12), 1359–1364 (1992)
97. S. Tamrakar, R. Ganesh, S. Sockalingam, B.Z. Haque, J.W. Gillespie, Experimental investigation of strain rate and temperature dependent response of an epoxy resin undergoing large
deformation. J. Dyn. Behav. Mater. 4(1), 114–128 (2018)
98. S.A. Barr, G.S. Kedziora, A.M. Ecker, J.C. Moller, R.J. Berry, T.D. Breitzman, Bond breaking
in epoxy systems: a combined qm/mm approach. J. Chem. Phys. 144(24), 244904 (2016)
99. B. Fiedler, M. Hojo, S. Ochiai, K. Schulte, M. Ando, Failure behavior of an epoxy matrix
under different kinds of static loading. Compos. Sci. Technol. 61(11), 1615–1624 (2001)
100. A. Gilat, R.K. Goldberg, G.D. Roberts, Strain rate sensitivity of epoxy resin in tensile and
shear loading. J. Aerosp. Eng. 20(2), 75–89 (2007)
101. X. Wu, A. Aramoon, J.A. El-Awady, A hierarchical multiscale approach for modeling the
deformation and failure of epoxy-based polymer matrix composites. Under Review (2019)