294
X. Wu and J. A. El-Awady
60. M. Tsige, M.J. Stevens, Effect of cross-linker functionality on the adhesion of highly crosslinked polymer networks: a molecular dynamics study of epoxies. Macromolecules 37(2),
630–637 (2004)
61. O. Büyüköztürk, M.J. Buehler, D. Lau, C. Tuakta, Structural solution using molecular
dynamics: fundamentals and a case study of epoxy-silica interface. Int. J. Solids Struct.
48(14–15), 2131–2140 (2011)
62. M.J. Stevens, Interfacial fracture between highly cross-linked polymer networks and a solid
surface: effect of interfacial bond density. Macromolecules 34(8), 2710–2718 (2001)
63. Y. Li, B. Abberton, M. Kröger, W. Liu, Challenges in multiscale modeling of polymer
dynamics. Polymers 5(2), 751–832 (2013)
64. A. Aramoon, T.D. Breitzman, C. Woodward, J.A. El-Awady, Correlating free-volume hole
distribution to the glass transition temperature of epoxy polymers. J. Phys. Chem. B 121(35),
8399–8407 (2017)
65. K.S. Khare, R. Khare, Directed diffusion approach for preparing atomistic models of
crosslinked epoxy for use in molecular simulations. Macromol. Theory Simul. 21(5), 322–
327 (2012)
66. S. Yang, J. Qu, Coarse-grained molecular dynamics simulations of the tensile behavior of a
thermosetting polymer. Phys. Rev. E 90(1), 012601 (2014)
67. S. Yang, Z. Cui, J. Qu, A coarse-grained model for epoxy molding compound. J. Phys. Chem.
B 118(6), 1660–1669 (2014)
68. Y. Fu, J. Michopoulos, J.-H. Song, Coarse-grained molecular dynamics simulations of epoxy
resin during the curing process. Comput. Mater. Sci. 107, 24–32 (2015)
69. S. Yang, J. Qu, An investigation of the tensile deformation and failure of an epoxy/cu interface
using coarse-grained molecular dynamics simulations. Model. Simul. Mater. Sci. Eng. 22(6),
065011 (2014)
70. A.V.S.S. Prasad, T. Grover, S. Basu, Coarse–grained molecular dynamics simulation of cross–
linking of dgeba epoxy resin and estimation of the adhesive strength. Int. J. Eng. Sci. Technol.
2(4), 17–30 (2010)
71. A.J.M. Jasso, J.E. Goodsell, A.J. Ritchey, R.B. Pipes, M. Koslowski, A parametric study of
fiber volume fraction distribution on the failure initiation location in open hole off-axis tensile
specimen. Compos. Sci. Technol. 71(16), 1819–1825 (2011)
72. H.W. Wang, H.W. Zhou, R.D. Peng, L. Mishnaevsky Jr, Nanoreinforced polymer composites:
3D FEM modeling with effective interface concept. Compos. Sci. Technol. 71(7), 980–988
(2011)
73. J. Bienias, H. Debski, B. Surowska, T. Sadowski, Analysis of microstructure damage in
carbon/epoxy composites using FEM. Comput. Mater. Sci. 64, 168–172 (2012)
74. B. Mortazavi, J. Bardon, S. Ahzi, Interphase effect on the elastic and thermal conductivity
response of polymer nanocomposite materials: 3D finite element study. Comput. Mater. Sci.
69, 100–106 (2013)
75. Dassault Systemes (2016) Abaqus. Retrieve from http://www.3ds.com/products-services/
simulia/products/abaqus/
76. P.P. Camanho, C.G. Dávila, Mixed-mode decohesion finite elements for the simulation of
delamination in composite materials. NASA/TM-2002–211737 (2002)
77. S. Li, M.D. Thouless, A.M. Waas, J.A. Schroeder, P.D. Zavattieri, Use of mode-i cohesivezone models to describe the fracture of an adhesively-bonded polymer-matrix composite.
Compos. Sci. Technol. 65(2), 281–293 (2005)
78. G. Giuliese, R. Palazzetti, F. Moroni, A. Zucchelli, A. Pirondi, Cohesive zone modelling
of delamination response of a composite laminate with interleaved nylon 6,6 nanofibres.
Compos. Part B Eng. 78, 384–392 (2015)
79. J. Fish, Q. Yu, K. Shek, Computational damage mechanics for composite materials based on
mathematical homogenization. Int. J. Numer. Methods Eng. 45(11), 1657–1679 (1999)
80. G.Z. Voyiadjis, P.I. Kattan, Z.N. Taqieddin, Continuum approach to damage mechanics of
composite materials with fabric tensors. Int. J. Damage Mech. 16(3), 301–329 (2007)
X. Wu and J. A. El-Awady
60. M. Tsige, M.J. Stevens, Effect of cross-linker functionality on the adhesion of highly crosslinked polymer networks: a molecular dynamics study of epoxies. Macromolecules 37(2),
630–637 (2004)
61. O. Büyüköztürk, M.J. Buehler, D. Lau, C. Tuakta, Structural solution using molecular
dynamics: fundamentals and a case study of epoxy-silica interface. Int. J. Solids Struct.
48(14–15), 2131–2140 (2011)
62. M.J. Stevens, Interfacial fracture between highly cross-linked polymer networks and a solid
surface: effect of interfacial bond density. Macromolecules 34(8), 2710–2718 (2001)
63. Y. Li, B. Abberton, M. Kröger, W. Liu, Challenges in multiscale modeling of polymer
dynamics. Polymers 5(2), 751–832 (2013)
64. A. Aramoon, T.D. Breitzman, C. Woodward, J.A. El-Awady, Correlating free-volume hole
distribution to the glass transition temperature of epoxy polymers. J. Phys. Chem. B 121(35),
8399–8407 (2017)
65. K.S. Khare, R. Khare, Directed diffusion approach for preparing atomistic models of
crosslinked epoxy for use in molecular simulations. Macromol. Theory Simul. 21(5), 322–
327 (2012)
66. S. Yang, J. Qu, Coarse-grained molecular dynamics simulations of the tensile behavior of a
thermosetting polymer. Phys. Rev. E 90(1), 012601 (2014)
67. S. Yang, Z. Cui, J. Qu, A coarse-grained model for epoxy molding compound. J. Phys. Chem.
B 118(6), 1660–1669 (2014)
68. Y. Fu, J. Michopoulos, J.-H. Song, Coarse-grained molecular dynamics simulations of epoxy
resin during the curing process. Comput. Mater. Sci. 107, 24–32 (2015)
69. S. Yang, J. Qu, An investigation of the tensile deformation and failure of an epoxy/cu interface
using coarse-grained molecular dynamics simulations. Model. Simul. Mater. Sci. Eng. 22(6),
065011 (2014)
70. A.V.S.S. Prasad, T. Grover, S. Basu, Coarse–grained molecular dynamics simulation of cross–
linking of dgeba epoxy resin and estimation of the adhesive strength. Int. J. Eng. Sci. Technol.
2(4), 17–30 (2010)
71. A.J.M. Jasso, J.E. Goodsell, A.J. Ritchey, R.B. Pipes, M. Koslowski, A parametric study of
fiber volume fraction distribution on the failure initiation location in open hole off-axis tensile
specimen. Compos. Sci. Technol. 71(16), 1819–1825 (2011)
72. H.W. Wang, H.W. Zhou, R.D. Peng, L. Mishnaevsky Jr, Nanoreinforced polymer composites:
3D FEM modeling with effective interface concept. Compos. Sci. Technol. 71(7), 980–988
(2011)
73. J. Bienias, H. Debski, B. Surowska, T. Sadowski, Analysis of microstructure damage in
carbon/epoxy composites using FEM. Comput. Mater. Sci. 64, 168–172 (2012)
74. B. Mortazavi, J. Bardon, S. Ahzi, Interphase effect on the elastic and thermal conductivity
response of polymer nanocomposite materials: 3D finite element study. Comput. Mater. Sci.
69, 100–106 (2013)
75. Dassault Systemes (2016) Abaqus. Retrieve from http://www.3ds.com/products-services/
simulia/products/abaqus/
76. P.P. Camanho, C.G. Dávila, Mixed-mode decohesion finite elements for the simulation of
delamination in composite materials. NASA/TM-2002–211737 (2002)
77. S. Li, M.D. Thouless, A.M. Waas, J.A. Schroeder, P.D. Zavattieri, Use of mode-i cohesivezone models to describe the fracture of an adhesively-bonded polymer-matrix composite.
Compos. Sci. Technol. 65(2), 281–293 (2005)
78. G. Giuliese, R. Palazzetti, F. Moroni, A. Zucchelli, A. Pirondi, Cohesive zone modelling
of delamination response of a composite laminate with interleaved nylon 6,6 nanofibres.
Compos. Part B Eng. 78, 384–392 (2015)
79. J. Fish, Q. Yu, K. Shek, Computational damage mechanics for composite materials based on
mathematical homogenization. Int. J. Numer. Methods Eng. 45(11), 1657–1679 (1999)
80. G.Z. Voyiadjis, P.I. Kattan, Z.N. Taqieddin, Continuum approach to damage mechanics of
composite materials with fabric tensors. Int. J. Damage Mech. 16(3), 301–329 (2007)