Molecular modeling of crosslinked graphene–epoxy nanocomposites for characterization of elastic constants and interfacial properties
Tài liệu tham khảo
Hossain, 2005, S2 glass/vinyl ester polymer nanocomposites: manufacturing, structures, thermal and mechanical properties, J Adv Mater, 37, 16
Haque, 2003, S2-glass/epoxy nanocomposites: manufacturing, structures, thermal and mechanical properties, J Compos Mater, 37, 1821, 10.1177/002199803035186
An, 2004, Carbon-nanotube-reinforced polymer-derived ceramic composites, Adv Mater, 16, 2036, 10.1002/adma.200306241
Yasmin, 2004, Mechanical and thermal properties of graphite/epoxy composites, Polymer, 45, 8211, 10.1016/j.polymer.2004.09.054
Cho, 2007, Mechanical characterization of graphite/epoxy nanocomposites by multi-scale analysis, Compos Sci Technol, 67, 2399, 10.1016/j.compscitech.2007.01.006
Rafiee, 2009, Enhanced mechanical properties of nanocomposites at low graphene content, ACS Nanolett, 3, 3884, 10.1021/nn9010472
Haque, 2005, Theoretical study of stress transfer in carbon nanotube reinforced polymer matrix composites, Compos Struct, 71, 68, 10.1016/j.compstruct.2004.09.029
Zhu, 2007, Molecular dynamics study of the stress–strain behavior of carbon-nanotube Epon 862 composites, Mater Sci Eng A, 447, 51, 10.1016/j.msea.2006.10.054
Wu, 2006, Atomistic molecular modeling of crosslinked epoxy resin, Polymer, 47, 6004, 10.1016/j.polymer.2006.06.025
Fan, 2007, Material properties of the cross-linked epoxy resin compound predicted by molecular dynamics simulation, Polymer, 48, 2174, 10.1016/j.polymer.2007.02.007
Bandyopadhay A, Jensen D, Valavala KP, Odegard MG. Atomistic modeling of cross-linked epoxy polymer, in: Presented at 51st AIAA/ASME/ASCE/ASC Structures, Structural Dynamics and Materials Conference 12–15th April, 2010.
Suyoung, 2009, Multi-scale modeling of cross-linked epoxy nanocomposites, Polymer, 50, 945, 10.1016/j.polymer.2008.11.054
Franklans, 2003, The stress–strain behavior of polymer–nanotube composites from molecular dynamics simulation, Compos Sci Technol, 63, 1655, 10.1016/S0266-3538(03)00059-9
Choi, 2012, Method of scale-bridging for thermoelasticity of cross-linked epoxy/SiC nanocomposites at a wide range of temperatures, Polymer, 53, 5178, 10.1016/j.polymer.2012.08.041
Yang, 2010, Sequential thermoelastic multiscale analysis of nanoparticulate composites, J Appl Phys, 108, 056102, 10.1063/1.3467524
Yang, 2008, Scale bridging method to characterize mechanical properties of nanoparticle/polymer nanocomposites, Appl Phys Lett, 93, 043111, 10.1063/1.2965486
Xiang, 2010, Micromechanics prediction of the effective elastic moduli of graphene sheet-reinforced polymer nanocomposites, Model Simulat Mater Sci Eng, 16, 45005
Cheng, 2011, Effect of chemisorption structure on the interfacial bonding characteristics of graphene–polymer composites, Appl Surf Sci, 258, 2077
Kin, 2001, Interfacial characteristics of a carbon nanotube–polystyrene composite system, Appl Phys Lett, 79, 4225, 10.1063/1.1428116
Awasthi, 2009, Modeling of graphene–polymer interfacial mechanical behavior using molecular dynamics, Model Simulat Mater Sci Eng, 17, 015002, 10.1088/0965-0393/17/1/015002
Sun, 1998, Compass: an ab initio force field optimized for condensed phase applications overview with details on alken and benzene compounds, J Phys Chem B, 102, 7338, 10.1021/jp980939v
Feng, 1992, Application of the molecular simulation technique to characterize the structure and properties of an aromatic polysulfone system. Mechanical and thermal properties, Macromolecules, 25, 266, 10.1021/ma00027a044
Leach, 1997
Shenogin S, Ozisik R. Xenoview: visualization for atomistic simulations; 2007. <http://xenoview.mat.rpi.edu/>.
Sakhaee, 2009, Elastic properties of single layered graphene sheet, Solid State Commun, 149, 91, 10.1016/j.ssc.2008.09.050
Dubois, 2009, Electronic properties and quantum transport in graphene-based nanostructures, Eur Phys J B, 71, 1, 10.1140/epjb/e2009-00327-8
Plimpton S, Fast Parallel Algorithms for Short-Range Molecular Dynamics, J Comp Phys, 117, 1995, 1-19. http://lammps.sandia.gov/.
Yang, 2012, Elastic stiffness and filler size effect of covalently grafted nanosilica polyimide composites: molecular dynamics study, Appl Mater Interf, 4, 4792, 10.1021/am301144z