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Volumn 47, Issue 9, 2008, Pages 1039-1048

Coarse-grained model of entangled polymer melts in non-equilibrium

Author keywords

Computer modeling; Polymer melt; Shear flow

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; POLYMER MELTS; SHEAR FLOW; SHEAR STRESS; STRAIN RATE;

EID: 56549085711     PISSN: 00354511     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00397-008-0298-8     Document Type: Article
Times cited : (4)

References (38)
  • 1
    • 0034294329 scopus 로고    scopus 로고
    • Coarse-grained dynamics of one chain in polymer melt
    • Akkermans RLC, Briels WJ (2000) Coarse-grained dynamics of one chain in polymer melt. J Chem Phys 113:6409-6422
    • (2000) J Chem Phys , vol.113 , pp. 6409-6422
    • Akkermans, R.L.C.1    Briels, W.J.2
  • 2
    • 0035130082 scopus 로고    scopus 로고
    • A structure-based coarse-grained model for polymer melts
    • Akkermans RLC, Briels WJ (2001) A structure-based coarse-grained model for polymer melts. J Chem Phys 114:1020-1031
    • (2001) J Chem Phys , vol.114 , pp. 1020-1031
    • Akkermans, R.L.C.1    Briels, W.J.2
  • 4
    • 24944566299 scopus 로고    scopus 로고
    • Speed up of dynamic observable in coarse-grained molecular-dynamics simulations of unentangled polymers
    • (7)
    • Depa PK, Maranas JK (2005) Speed up of dynamic observable in coarse-grained molecular-dynamics simulations of unentangled polymers. J Chem Phys 123:094901(1)-(7)
    • (2005) J Chem Phys , vol.123 , Issue.1 , pp. 094901
    • Depa, P.K.1    Maranas, J.K.2
  • 6
    • 0035333477 scopus 로고    scopus 로고
    • Soft ellipsoid model for gaussian polymer chains
    • Eurich F, Maass PJ (2001) Soft ellipsoid model for gaussian polymer chains. J Chem Phys 114:7655-7668
    • (2001) J Chem Phys , vol.114 , pp. 7655-7668
    • Eurich, F.1    Maass, P.J.2
  • 7
    • 0029292076 scopus 로고
    • CONNFFESSIT approach for solving a two-dimensional viscoelastic fluid problem
    • Feigl K, Laso M, Ottinger CH (1995) CONNFFESSIT approach for solving a two-dimensional viscoelastic fluid problem. Macromolecules 28:3261-3274
    • (1995) Macromolecules , vol.28 , pp. 3261-3274
    • Feigl, K.1    Laso, M.2    Ottinger, C.H.3
  • 8
    • 0028099722 scopus 로고
    • Nature of stress on the atomic level in dense polymer systems
    • Gao J, Weiner JH (1994) Nature of stress on the atomic level in dense polymer systems. Science 266:748-752
    • (1994) Science , vol.266 , pp. 748-752
    • Gao, J.1    Weiner, J.H.2
  • 9
    • 0141458779 scopus 로고    scopus 로고
    • Microscopic theory of linear, entangled polymer chains under rapid deformation including chain stretch and convective constraint release
    • Graham RS, Likhtman AE, McLeish TCB, Milner S (2003) Microscopic theory of linear, entangled polymer chains under rapid deformation including chain stretch and convective constraint release. J Rheol 47:1171-1200
    • (2003) J Rheol , vol.47 , pp. 1171-1200
    • Graham, R.S.1    Likhtman, A.E.2    McLeish, T.C.B.3    Milner, S.4
  • 10
    • 0001318229 scopus 로고    scopus 로고
    • Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models: I. Theory and single-step strain predictions
    • Hua CC, Schieber JD (1998) Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models: I. Theory and single-step strain predictions. J Chem Phys 109:10018-10027
    • (1998) J Chem Phys , vol.109 , pp. 10018-10027
    • Hua, C.C.1    Schieber, J.D.2
  • 11
    • 0001318230 scopus 로고    scopus 로고
    • Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models. II. Double-step strain predictions
    • Hua CC, Schieber JD, Venerus DC (1998) Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models. II. Double-step strain predictions. J Chem Phys 109:10028-10032
    • (1998) J Chem Phys , vol.109 , pp. 10028-10032
    • Hua, C.C.1    Schieber, J.D.2    Venerus, D.C.3
  • 12
    • 0001739528 scopus 로고    scopus 로고
    • Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models. III. Shear flows
    • Hua CC, Schieber JD, Venerus DC (1999) Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models. III. Shear flows. J Rheol 43:701-717
    • (1999) J Rheol , vol.43 , pp. 701-717
    • Hua, C.C.1    Schieber, J.D.2    Venerus, D.C.3
  • 13
    • 0024073538 scopus 로고
    • A new theory of entanglements and dynamics in dense polymer systems
    • Kavassalis TA, Noolandi J (1988) A new theory of entanglements and dynamics in dense polymer systems. Macromolecules 21:2869-2879
    • (1988) Macromolecules , vol.21 , pp. 2869-2879
    • Kavassalis, T.A.1    Noolandi, J.2
  • 14
    • 0343417367 scopus 로고
    • Dynamics of entangled linear polymer melts: A molecular-dynamics simulation
    • Kremer K, Grest GS (1990) Dynamics of entangled linear polymer melts: A molecular-dynamics simulation. J Chem Phys 92:5057-5086
    • (1990) J Chem Phys , vol.92 , pp. 5057-5086
    • Kremer, K.1    Grest, G.S.2
  • 15
    • 0038711087 scopus 로고    scopus 로고
    • Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics
    • Kroger M, Hess S (2000) Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics. Phys Rev Lett 85:1128-1131
    • (2000) Phys Rev Lett , vol.85 , pp. 1128-1131
    • Kroger, M.1    Hess, S.2
  • 16
    • 0030083167 scopus 로고    scopus 로고
    • Dynamics of entanglements: A nonlinear model consistent with the Cox-Merz rule
    • Marrucci G (1996) Dynamics of entanglements: A nonlinear model consistent with the Cox-Merz rule. J Non-Newtonian Fluid Mech 62:279-289
    • (1996) J Non-Newtonian Fluid Mech , vol.62 , pp. 279-289
    • Marrucci, G.1
  • 17
    • 0002927899 scopus 로고
    • Molecular theory of Brownian motion
    • Mazur P, Oppenheim I (1970) Molecular theory of Brownian motion. Physica 50:241-258
    • (1970) Physica , vol.50 , pp. 241-258
    • Mazur, P.1    Oppenheim, I.2
  • 18
    • 0032480701 scopus 로고    scopus 로고
    • A molecular theory for fast flows of entangled polymers
    • Mead DW, Larson RG, Doi M (1998) A molecular theory for fast flows of entangled polymers. Macromolecules 31:7895-7914
    • (1998) Macromolecules , vol.31 , pp. 7895-7914
    • Mead, D.W.1    Larson, R.G.2    Doi, M.3
  • 19
    • 0035889767 scopus 로고    scopus 로고
    • Polymer films in the normal-liquid and supercooled state: A review of recent Monte Carlo simulation results
    • Mischler C, Baschnagel J, Binder K (2001) Polymer films in the normal-liquid and supercooled state: A review of recent Monte Carlo simulation results. Adv Colloid Interface Sci 94:197-227
    • (2001) Adv Colloid Interface Sci , vol.94 , pp. 197-227
    • Mischler, C.1    Baschnagel, J.2    Binder, K.3
  • 20
    • 0000514837 scopus 로고
    • Transport, collective motion, and brownian motion
    • Mori H (1965) Transport, collective motion, and brownian motion. Prog Theor Phys 33:423-455
    • (1965) Prog Theor Phys , vol.33 , pp. 423-455
    • Mori, H.1
  • 21
    • 0000986152 scopus 로고
    • Material time constant characterizing the nonlinear viscoelasticity of entangled polymeric systems
    • Osaki K, Nishizawa K, Kurata M (1982) Material time constant characterizing the nonlinear viscoelasticity of entangled polymeric systems. Macromolecules 15:1068-1071
    • (1982) Macromolecules , vol.15 , pp. 1068-1071
    • Osaki, K.1    Nishizawa, K.2    Kurata, M.3
  • 22
    • 0033722280 scopus 로고    scopus 로고
    • Stress overshoot of polymer solutions at high rates of shear
    • Osaki K, Inoue T, Isomura T (2000) Stress overshoot of polymer solutions at high rates of shear. J Poly Sci Part B: Poly Phys 38:1917-1925
    • (2000) J Poly Sci Part B: Poly Phys , vol.38 , pp. 1917-1925
    • Osaki, K.1    Inoue, T.2    Isomura, T.3
  • 24
    • 0037043447 scopus 로고    scopus 로고
    • Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations
    • Padding JT, Briels WJ (2002) Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations. J Chem Phys 117:925-943
    • (2002) J Chem Phys , vol.117 , pp. 925-943
    • Padding, J.T.1    Briels, W.J.2
  • 25
    • 0037932042 scopus 로고    scopus 로고
    • Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow
    • Padding JT, Briels WJ (2003) Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow. J Chem Phys 118:10276-10286
    • (2003) J Chem Phys , vol.118 , pp. 10276-10286
    • Padding, J.T.1    Briels, W.J.2
  • 26
    • 0000771635 scopus 로고
    • An optimized united atom model for simulations of polymethylene melts
    • Paul W, Yoon DY, Smith GD (1995) An optimized united atom model for simulations of polymethylene melts. J Chem Phys 103:1702-1709
    • (1995) J Chem Phys , vol.103 , pp. 1702-1709
    • Paul, W.1    Yoon, D.Y.2    Smith, G.D.3
  • 27
    • 0345547745 scopus 로고    scopus 로고
    • Scale invariance of the stress production mechanism in polymeric systems
    • Picu RC, Pavel MC (2003) Scale invariance of the stress production mechanism in polymeric systems. Macromolecules 36:9205-9215
    • (2003) Macromolecules , vol.36 , pp. 9205-9215
    • Picu, R.C.1    Pavel, M.C.2
  • 28
    • 35248875328 scopus 로고    scopus 로고
    • Coarse grained model of diffusion in entangled bidisperse polymer melts
    • (1)-(7)
    • Picu RC, Rakshit A (2007) Coarse grained model of diffusion in entangled bidisperse polymer melts. J Chem Phys 127:144909(1)-(7)
    • (2007) J Chem Phys , vol.127 , pp. 144909
    • Picu, R.C.1    Rakshit, A.2
  • 29
    • 0001210901 scopus 로고    scopus 로고
    • Stress relaxation in a diatomic fluid
    • Picu RC, Weiner JH (1998) Stress relaxation in a diatomic fluid. J Chem Phys 108:4984-4991
    • (1998) J Chem Phys , vol.108 , pp. 4984-4991
    • Picu, R.C.1    Weiner, J.H.2
  • 30
    • 0001050133 scopus 로고    scopus 로고
    • Towards a unified view of stress in small molecular and macromolecular liquids
    • Picu RC, Loriot G, Weiner JH (1999) Towards a unified view of stress in small molecular and macromolecular liquids. J Chem Phys 110:4678-4685
    • (1999) J Chem Phys , vol.110 , pp. 4678-4685
    • Picu, R.C.1    Loriot, G.2    Weiner, J.H.3
  • 31
    • 0034635651 scopus 로고    scopus 로고
    • What is the entanglement length in a polymer melt?
    • Putz M, Kremer K, Grest GS (2000) What is the entanglement length in a polymer melt? Europhys Lett 49:735-741
    • (2000) Europhys Lett , vol.49 , pp. 735-741
    • Putz, M.1    Kremer, K.2    Grest, G.S.3
  • 32
    • 33750456961 scopus 로고    scopus 로고
    • Coarse grained model of entangled polymer melts
    • (1)-(10)
    • Rakshit A, Picu RC (2006) Coarse grained model of entangled polymer melts. J Chem Phys 125:164907(1)-(10)
    • (2006) J Chem Phys , vol.125 , pp. 164907
    • Rakshit, A.1    Picu, R.C.2
  • 33
    • 0035957476 scopus 로고    scopus 로고
    • Mapping atomistic to coarse-grained polymer models using automatic simplex optimization to fit structural properties
    • Reith D, Meyer H, Muller-Plathe F (2001) Mapping atomistic to coarse-grained polymer models using automatic simplex optimization to fit structural properties. Macromolecules 34:2335-2345
    • (2001) Macromolecules , vol.34 , pp. 2335-2345
    • Reith, D.1    Meyer, H.2    Muller-Plathe, F.3
  • 34
    • 0037444640 scopus 로고    scopus 로고
    • Fluctuations in entanglements of polymer liquids
    • Schieber JD (2003) Fluctuations in entanglements of polymer liquids. J Chem Phys 118:5162-5166
    • (2003) J Chem Phys , vol.118 , pp. 5162-5166
    • Schieber, J.D.1
  • 35
    • 0032003667 scopus 로고    scopus 로고
    • Simulation of polymer melts: I. Coarse-graining procedure for polycarbonates
    • Tschop W, Kremer K, Batoulis J, Burger T, Hahn O (1998) Simulation of polymer melts: I. Coarse-graining procedure for polycarbonates. Acta Polym 49:61-74
    • (1998) Acta Polym , vol.49 , pp. 61-74
    • Tschop, W.1    Kremer, K.2    Batoulis, J.3    Burger, T.4    Hahn, O.5
  • 37
    • 0000460101 scopus 로고
    • Kinetics of detachment of homopolymers from a solid surface
    • Wang Y, Rajagopalan R, Mattice WL (1995) Kinetics of detachment of homopolymers from a solid surface. Phys Rev Lett 74:2503-2507
    • (1995) Phys Rev Lett , vol.74 , pp. 2503-2507
    • Wang, Y.1    Rajagopalan, R.2    Mattice, W.L.3
  • 38
    • 0037787230 scopus 로고
    • Ensemble method in the theory of irreversibility
    • Zwanzig R (1960) Ensemble method in the theory of irreversibility. J Chem Phys 33:1338-1341
    • (1960) J Chem Phys , vol.33 , pp. 1338-1341
    • Zwanzig, R.1


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