메뉴 건너뛰기




Volumn 7, Issue 3, 2015, Pages 390-417

Structural and dynamical properties of polyethylene/graphene nanocomposites through molecular dynamics simulations

Author keywords

Graphene size; Molecular dynamics simulations; Nanocomposites; Structural and dynamical properties of polymer; Wrinkling of graphene

Indexed keywords

CHAINS; HYBRID SYSTEMS; MOLECULAR DYNAMICS; NANOCOMPOSITES; POLYETHYLENES; STRUCTURAL PROPERTIES;

EID: 84926378143     PISSN: None     EISSN: 20734360     Source Type: Journal    
DOI: 10.3390/polym7030390     Document Type: Article
Times cited : (87)

References (32)
  • 1
    • 77951036544 scopus 로고    scopus 로고
    • Effect of Chemisorption on the Interfacial Bonding Characteristics of Graphene Polymer Composites
    • Lv, C.; Xue, Q.; Xia, D.; Ma, M.; Xie, J.; Chen, H. Effect of Chemisorption on the Interfacial Bonding Characteristics of Graphene Polymer Composites. J. Phys. Chem. C 2010, 114, 6588-6594.
    • (2010) J. Phys. Chem. C , vol.114 , pp. 6588-6594
    • Lv, C.1    Xue, Q.2    Xia, D.3    Ma, M.4    Xie, J.5    Chen, H.6
  • 6
    • 84892814097 scopus 로고    scopus 로고
    • Molecular dynamics simulation of mechanical performance of graphene/graphene oxide paper based polymer composites
    • Zhang, J.; Jiang, D. Molecular dynamics simulation of mechanical performance of graphene/graphene oxide paper based polymer composites. Carbon 2014, 67, 784-791.
    • (2014) Carbon , vol.67 , pp. 784-791
    • Zhang, J.1    Jiang, D.2
  • 8
    • 77956473454 scopus 로고    scopus 로고
    • Recent advance in functionalized graphene/polymer nanocomposites
    • Cai, D.; Song, M. Recent advance in functionalized graphene/polymer nanocomposites. J. Mater. Chem. 2010, 20, 7906-7915.
    • (2010) J. Mater. Chem. , vol.20 , pp. 7906-7915
    • Cai, D.1    Song, M.2
  • 9
    • 0000858753 scopus 로고
    • Molecular dynamics simulation study of the adsorption of chain alkanes from solution onto graphite
    • Hentschke, R.; Winkler, R.G. Molecular dynamics simulation study of the adsorption of chain alkanes from solution onto graphite. J. Chem. Phys. 1993, 99, 5528-5534.
    • (1993) J. Chem. Phys. , vol.99 , pp. 5528-5534
    • Hentschke, R.1    Winkler, R.G.2
  • 10
    • 80052131491 scopus 로고    scopus 로고
    • Crystallization of alkane melts induced by carbon nanotubes and graphene nanosheets: A molecular dynamics simulation study
    • Yang, J.S.; Yang, C.L.; Wang, M.S.; Chen, B.D.; Ma, X.G. Crystallization of alkane melts induced by carbon nanotubes and graphene nanosheets: A molecular dynamics simulation study. Phys. Chem. Chem. Phys. 2011, 13, 15476-15482.
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 15476-15482
    • Yang, J.S.1    Yang, C.L.2    Wang, M.S.3    Chen, B.D.4    Ma, X.G.5
  • 11
    • 84155171108 scopus 로고    scopus 로고
    • Molecular dynamics simulations of oxidized vapor-grown carbon nanofiber surface interactions with vinyl ester resin monomers
    • Jang, C.; Nouranian, S.; Lacy, T.E.; Gwaltney, S.R.; Toghiani, H.; Pittman, C.U., Jr. Molecular dynamics simulations of oxidized vapor-grown carbon nanofiber surface interactions with vinyl ester resin monomers. Carbon 2012, 50, 748-760.
    • (2012) Carbon , vol.50 , pp. 748-760
    • Jang, C.1    Nouranian, S.2    Lacy, T.E.3    Gwaltney, S.R.4    Toghiani, H.5    Pittman, C.U.6
  • 12
    • 79957569287 scopus 로고    scopus 로고
    • Molecular dynamics simulations of vinyl ester resin monomer interactions with a pristine vaporgrown carbon nanofiber and their implications for composite interphase formation
    • Nouranian, S.; Jang, C.; Lacy, T.E.; Gwaltney, S.R.; Toghiani, H.; Pittman, C.U., Jr. Molecular dynamics simulations of vinyl ester resin monomer interactions with a pristine vaporgrown carbon nanofiber and their implications for composite interphase formation. Carbon 2011, 49, 3219-3232.
    • (2011) Carbon , vol.49 , pp. 3219-3232
    • Nouranian, S.1    Jang, C.2    Lacy, T.E.3    Gwaltney, S.R.4    Toghiani, H.5    Pittman, C.U.6
  • 13
    • 84919793574 scopus 로고    scopus 로고
    • Graphene/hyperbranched polymer nanocomposites: Insight from molecular dynamics simulations
    • Karatasos, K. Graphene/hyperbranched polymer nanocomposites: Insight from molecular dynamics simulations. Macromolecules 2014, 47, 8833-8845.
    • (2014) Macromolecules , vol.47 , pp. 8833-8845
    • Karatasos, K.1
  • 14
    • 79551548162 scopus 로고    scopus 로고
    • Simulation insights into thermally conductive graphene-based nanocomposites
    • Konatham, D.; Bui, K.N.D.; Papavassiliou, D.V.; Striolo, A. Simulation insights into thermally conductive graphene-based nanocomposites. Mol. Phys. 2011, 109, 97-111.
    • (2011) Mol. Phys. , vol.109 , pp. 97-111
    • Konatham, D.1    Bui, K.N.D.2    Papavassiliou, D.V.3    Striolo, A.4
  • 15
    • 84912535943 scopus 로고    scopus 로고
    • Determination of the mechanical properties of a poly(methyl methacrylate) nanocomposite with functionalized graphene sheets through detailed atomistic simulations
    • Skountzos, E.N.; Anastassiou, A.; Mavrantzas, V.G.; Theodorou, D.N. Determination of the mechanical properties of a poly(methyl methacrylate) nanocomposite with functionalized graphene sheets through detailed atomistic simulations. Macromolecules 2014, 47, 8072-8088.
    • (2014) Macromolecules , vol.47 , pp. 8072-8088
    • Skountzos, E.N.1    Anastassiou, A.2    Mavrantzas, V.G.3    Theodorou, D.N.4
  • 16
    • 80054052310 scopus 로고    scopus 로고
    • Multiscale modeling of graphene-and nanotube-based reinforced polymer nanocomposites
    • Montazeri, A.; Rafii-Tabar, H. Multiscale modeling of graphene-and nanotube-based reinforced polymer nanocomposites. Phys. Lett. A 2011, 375, 4034-4040.
    • (2011) Phys. Lett. A , vol.375 , pp. 4034-4040
    • Montazeri, A.1    Rafii-Tabar, H.2
  • 17
    • 22744439556 scopus 로고    scopus 로고
    • Detailed atomistic simulation of a polymer melt/solid interface: Structure, density and conformation of a thin polyethylene melt film adsorbed on graphite
    • Harmandaris, V.A.; Daoulas, K.C.; Mavrantzas, V.G. Detailed atomistic simulation of a polymer melt/solid interface: Structure, density and conformation of a thin polyethylene melt film adsorbed on graphite. Macromolecules 2005, 38, 5780-5795.
    • (2005) Macromolecules , vol.38 , pp. 5780-5795
    • Harmandaris, V.A.1    Daoulas, K.C.2    Mavrantzas, V.G.3
  • 18
    • 84897044092 scopus 로고    scopus 로고
    • Dynamics of various polymer-graphene interfacial systems through atomistic molecular dynamics simulations
    • Rissanou, A.N.; Harmandaris, V. Dynamics of various polymer-graphene interfacial systems through atomistic molecular dynamics simulations. Soft Matter 2014, 10, 2876-2888.
    • (2014) Soft Matter , vol.10 , pp. 2876-2888
    • Rissanou, A.N.1    Harmandaris, V.2
  • 19
    • 78650605519 scopus 로고    scopus 로고
    • Molecular dynamics simulations of folding of supported graphene
    • Bellido, E.P.; Seminario, J.M. Molecular dynamics simulations of folding of supported graphene. J. Phys. Chem. C 2010, 114, 22472-22477.
    • (2010) J. Phys. Chem. C , vol.114 , pp. 22472-22477
    • Bellido, E.P.1    Seminario, J.M.2
  • 20
    • 84875540503 scopus 로고    scopus 로고
    • Structure and dynamics of poly(methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations
    • Rissanou, A.N.; Harmandaris, V. Structure and dynamics of poly(methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations. J. Nanopart Res. 2013, 15, 1-14.
    • (2013) J. Nanopart Res. , vol.15 , pp. 1-14
    • Rissanou, A.N.1    Harmandaris, V.2
  • 21
    • 84897584611 scopus 로고    scopus 로고
    • A Molecular dynamics study of polymer/graphene nanocomposites
    • Rissanou, A.N.; Harmandaris, V. A Molecular dynamics study of polymer/graphene nanocomposites. Macromol. Symp. 2013, 331-332, 43-49.
    • (2013) Macromol. Symp. , vol.331-332 , pp. 43-49
    • Rissanou, A.N.1    Harmandaris, V.2
  • 22
    • 0001061046 scopus 로고    scopus 로고
    • Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes
    • Martin, M.G.; Siepmann, J.I. Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes. J. Phys. Chem. B 1998, 102, 2569-2577.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 2569-2577
    • Martin, M.G.1    Siepmann, J.I.2
  • 23
    • 0035909712 scopus 로고    scopus 로고
    • Carbon nanotubes in water: Structural characteristics and energetics
    • Walther, J.H.; Jaffe, R.; Halicioglu, T.; Koumoutsakos, P. Carbon nanotubes in water: Structural characteristics and energetics. J. Phys. Chem. B 2001, 105, 9980-9987.
    • (2001) J. Phys. Chem. B , vol.105 , pp. 9980-9987
    • Walther, J.H.1    Jaffe, R.2    Halicioglu, T.3    Koumoutsakos, P.4
  • 24
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
    • Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation. J. Chem. Theory Comput. 2008, 4, 435-447.
    • (2008) J. Chem. Theory Comput , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    van der Spoel, D.3    Lindahl, E.4
  • 25
    • 0029633168 scopus 로고
    • GROMACS: A message-passing parallel molecular dynamics implementation
    • Berendsen, H.; van der Spoel, D.; van Drunen, R. GROMACS: A message-passing parallel molecular dynamics implementation. Comput. Phys. Commun. 1995, 91, 43-56.
    • (1995) Comput. Phys. Commun. , vol.91 , pp. 43-56
    • Berendsen, H.1    van der Spoel, D.2    van Drunen, R.3
  • 26
    • 84926338975 scopus 로고    scopus 로고
    • Structural and dynamical properties of polystyrene thin films supported by multiple graphene layers
    • submitted for publication
    • Rissanou, A.N.; Harmandaris, V. Structural and dynamical properties of polystyrene thin films supported by multiple graphene layers. Macromolecules 2014, submitted for publication.
    • (2014) Macromolecules
    • Rissanou, A.N.1    Harmandaris, V.2
  • 28
    • 79957888593 scopus 로고    scopus 로고
    • On the Cartesian definition of orientational order parameters
    • Turzi, S.S. On the Cartesian definition of orientational order parameters. J. Math. Phys. 2011, 52, 053517:1-053517:29.
    • (2011) J. Math. Phys. , vol.52
    • Turzi, S.S.1
  • 29
    • 0014699523 scopus 로고
    • Non-symmetrical dielectric relaxation behaviour arising from a simple empirical decay function
    • Williams, G.; Watts, D.C. Non-symmetrical dielectric relaxation behaviour arising from a simple empirical decay function. Trans. Faraday Soc. 1970, 66, 80-85.
    • (1970) Trans. Faraday Soc. , vol.66 , pp. 80-85
    • Williams, G.1    Watts, D.C.2
  • 32
    • 84903367713 scopus 로고    scopus 로고
    • Molecular dynamics of polyisoprene/polystyrene oligomer blends: The role of self-concentration and fluctuations on blend dynamics
    • Harmandaris, V.; Doxastakis M, Molecular dynamics of polyisoprene/polystyrene oligomer blends: The role of self-concentration and fluctuations on blend dynamics. J. Chem. Phys., 2013, 139, 034904.
    • (2013) J. Chem. Phys , vol.139
    • Harmandaris, V.1    Doxastakis, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.