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kaz229's simulation [139 articles]

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  • Bridging the Gap Between Atomistic and Coarse-Grained Models of Polymers: Status and Perspectives
    Advances in Polymer Science, Vol. 152 (2000), pp. 41-156.
    by Jörg Baschnagel, Kurt Binder, Pemra Doruker, Andrei Gusev, Oliver Hahn, Kurt Kremer, Wayne Mattice, Florian Müller-Plathe, Michael Murat, Wolfgang Paul, Serge Santos, Ulrich Suter, Volker Tries
    posted to review simulation by kaz229 on 2008-08-24 22:37:07 as ** along with 1 person gsub
  • Understanding and predicting structureproperty relations in polymeric materials through molecular simulations
    Molecular Physics, Vol. 102, No. 2. (2004), pp. 147-166.
    by Doros N Theodorou
    posted to molecular-dynamics monte-carlo network review scf simulation theory by kaz229 on 2008-06-25 09:43:13 as **
  • Entanglement Network of the Polypropylene/Polyamide Interface. 3. Deformation to Fracture
    Macromolecules, Vol. 35, No. 2. (15 January 2002), pp. 508-521.
    by AF Terzis, DN Theodorou, A Stroeks
    posted to monte-carlo network simulation theory topology by kaz229 on 2008-06-25 09:39:45 as **
  • Entanglement Network of the Polypropylene/Polyamide Interface. 1. Self-Consistent Field Model
    Macromolecules, Vol. 33, No. 4. (22 February 2000), pp. 1385-1396.
    by AF Terzis, DN Theodorou, A Stroeks
    posted to network scf simulation theory by kaz229 on 2008-06-25 09:11:10 as **
  • Entanglement Network of the Polypropylene/Polyamide Interface. 2. Network Generation
    Macromolecules, Vol. 33, No. 4. (22 February 2000), pp. 1397-1410.
    by AF Terzis, DN Theodorou, A Stroeks
    posted to monte-carlo network scf simulation theory by kaz229 on 2008-06-25 08:54:37 as **
  • Entanglement effects in model polymer networks
    Anomalous Diffusion From Basics to Applications (1999), pp. 221-234.
    by R Everaers, K Kremer
    posted to review simulation statistical-mechanics theory by kaz229 on 2008-06-05 13:43:00 as **
  • Quantitative comparison of primitive chain network simulations with literature data of linear viscoelasticity for polymer melts
    Journal of Non-Newtonian Fluid Mechanics, Vol. 149 (15 February 2008), pp. 87-92.
    by Yuichi Masubuchi, Giovanni Ianniruberto, Francesco Greco, Giuseppe Marrucci
    posted to dynamics g0-me polybutadiene polyisoprene polymethylmethacrylate polystyrene rheology simulation sliplink by kaz229 on 2008-04-11 03:31:30 as **
  • Fifth Virial Coefficients
    The Journal of Chemical Physics, Vol. 44, No. 11. (1966), pp. 4206-4211.
    by JA Barker, PJ Leonard, A Pompe
    posted to simulation solution theory by kaz229 on 2008-03-13 14:04:07 as **
  • Primitive Chain Network Model for Entangled Polymer Blends
    SLOW DYNAMICS IN COMPLEX SYSTEMS: 3rd International Symposium on Slow Dynamics in Complex Systems, Vol. 708, No. 1. (2004), pp. 261-262.
    by Yuichi Masubuchi, Jun I Takimoto, Masao Doi, Giovanni Ianniruberto, Francesco Greco, Giuseppe Marrucci
    edited by Michio Tokuyama, Irwin Oppenheim
    posted to blend dynamics reptation rheology simulation by kaz229 on 2008-02-27 06:03:28 as **
  • Accurate effective pair potentials for polymer solutions
    The Journal of Chemical Physics, Vol. 114, No. 9. (2001), pp. 4296-4311.
    by PG Bolhuis, AA Louis, JP Hansen, EJ Meijer
    posted to simulation soft_potential solution statistical-mechanics theory by kaz229 on 2008-02-19 13:01:54 as **
  • Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back
    ChemPhysChem, Vol. 3, No. 9. (2002), pp. 754-769.
    by Florian Müller-Plathe
    posted to dynamics molecular-dynamics review simulation soft_potential by kaz229 on 2008-02-19 12:28:41 as ** along with 1 person ttjoseph
  • A single particle model to simulate the dynamics of entangled polymer melts
    The Journal of Chemical Physics, Vol. 127, No. 13. (2007)
    by P Kindt, WJ Briels
    posted to dynamics rheology simulation statistical-mechanics theory by kaz229 on 2008-02-19 12:08:53 as **
  • Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene
    The Journal of Chemical Physics, Vol. 121, No. 13. (2004), pp. 6538-6546.
    by X Guerrault, B Rousseau, J Farago
    posted to dpd simulation soft_potential theory by kaz229 on 2008-02-19 10:22:21 as **
  • Stable and unstable phases of a diblock copolymer melt
    Physical Review Letters, Vol. 72, No. 16. (18 April 1994), 2660.
    by MW Matsen, M Schick
    posted to copolymer scf simulation statistical-mechanics theory by kaz229 on 2008-02-16 09:21:13 as ** along with 1 person j_vinals
  • Using spring repulsions to model entanglement interactions in Brownian dynamics simulations of bead–spring chains
    Rheologica Acta, Vol. 47, No. 1. (4 January 2008), pp. 3-17.
    by Sean Holleran, Ronald Larson
    posted to dynamics molecular-dynamics simulation soft_potential by kaz229 on 2008-02-16 08:20:43 as **
  • Conformational properties of blends of cyclic and linear polymer melts
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 77, No. 1. (2008)
    by Gopinath Subramanian, Sachin Shanbhag
    posted to ring simulation by kaz229 on 2008-02-15 14:27:50 as ** along with 2 people sas gsub
  • Viscoelasticity and primitive path analysis of entangled polymer liquids: From F-actin to polyethylene
    The Journal of Chemical Physics, Vol. 128, No. 4. (2008)
    by Nariya Uchida, Gary S Grest, Ralf Everaers
    posted to g0-me molecular-dynamics rheology simulation by kaz229 on 2008-02-15 14:25:26 as **
  • Monte Carlo Studies of the Brownian Motion of a Polymer Chain under Topological Constraints
    Polymer Journal, Vol. 5, No. 3. (1973), pp. 288-300.
    by Masao Doi
    posted to monte-carlo simulation topology by kaz229 on 2008-02-15 14:25:15 as **
  • Binary Gaussian core model: Fluid-fluid phase separation and interfacial properties
    Physical Review E, Vol. 64, No. 4. (2001), 041501.
    by AJ Archer, R Evans
    posted to field-theory simulation soft_potential statistical-mechanics theory by kaz229 on 2008-02-15 14:19:19 as **
  • Monte Carlo Simulation of Off-Lattice Polymer Chains: Effective Pair Potentials in Dilute Solution
    Macromolecule, Vol. 27 (1994), pp. 5399-5412.
    by James Dautenhahn, Carol K Hall
    posted to dilute monte-carlo simulation soft_potential solution theory thermodynamics by kaz229 on 2008-02-15 14:16:59 as **
  • Constrained polymer with unusual statistics: annotations on the slip-link model
    Macromolecules, Vol. 22 (1989), pp. 4540-4544.
    by Jens Rieger
    posted to monte-carlo simulation sliplink theory thermodynamics by kaz229 on 2008-02-15 14:09:14 as **
  • The structure and phase transitions in polymer blends, diblock copolymers and liquid crystalline polymers: The Landau-Ginzburg approach
    Macromolecular Theory and Simulations, Vol. 5, No. 4. (1996), pp. 573-643.
    by Robert Holyst, Thomas A Vilgis
    posted to blend copolymer field-theory liquid-crystal phase-separation simulation statistical-mechanics tdgl theory by kaz229 on 2008-02-15 13:47:04 as **
  • Gaussian approximation for Rouse chains with hydrodynamic interaction
    The Journal of Chemical Physics, Vol. 90, No. 1. (1 January 1989), pp. 463-473.
    by Hans C Öttinger
    posted to dilute rheology simulation solution by kaz229 on 2008-02-15 12:12:59 as **
  • Reptational dynamics in dissipative particle dynamics simulations of polymer melts
    Phys. Rev. E Stat. Nonlinear Soft Matter Phys., Vol. 75, No. 3. (2007), 036713.
    by P Nikunen, I Vattulainen, M Karttunen
    posted to dpd dynamics reptation simulation topology by kaz229 on 2008-02-15 12:00:05 as ** along with 1 person softsimu
  • Comprehensive comparisons with nonlinear flow data of a consistently unconstrained Brownian slip-link model
    Journal of Rheology, Vol. 51, No. 6. (2007), pp. 1111-1141.
    by Jay D Schieber, Deepa M Nair, Thidaporn Kitkrailard
    posted to dynamics reptation rheology simulation sliplink thermodynamics by kaz229 on 2008-02-15 11:53:03 as **
  • Hierarchical modelling of polymeric materials
    Chemical Engineering Science, Vol. 62, No. 21. (November 2007), pp. 5697-5714.
    by Doros N Theodorou
    posted to diffusion dynamics molecular-dynamics multi-scale review rheology simulation thermodynamics by kaz229 on 2008-02-15 11:34:33 as ** along with 1 person sas
  • Molecular and Mesoscale Simulation Methods for Polymer Materials
    Annual Review of Materials Research, Vol. 32 (August 2002), pp. 401-436.
    by Sharon C Glotzer, Wolfgang Paul
    posted to dpd molecular-dynamics monte-carlo review simulation statistical-mechanics tdgl theory by kaz229 on 2008-02-15 11:25:48 as **
  • Looking inside the entanglement “tube” using molecular dynamics simulations
    Journal of Polymer Science Part B: Polymer Physics, Vol. 45, No. 24. (2007), pp. 3240-3248.
    by Ronald G Larson
    posted to dynamics molecular-dynamics rheology simulation sliplink by kaz229 on 2008-02-15 10:54:03 as ** along with 1 person sas
  • Bimodality in the Spatial Segment Density Distribution of Gaussian Chains
    Macromolecules, Vol. 29, No. 17. (12 August 1996), pp. 5678-5687.
    by HWHM Janszen, TA Tervoort, P Cifra
    posted to monte-carlo simulation soft_potential spatial-inhomogeneity statistical-mechanics by kaz229 on 2008-02-15 08:51:01 as **
  • Hierarchical Modeling of Entangled Polymers
    Macromolecular Symposia, Vol. 252, No. 1. (2007), pp. 119-129.
    by Jorge Ramírez, Sathish K Sukumaran, Alexei E Likhtman
    posted to dynamics multi-scale reptation simulation sliplink by kaz229 on 2008-02-15 08:16:38 as **
  • Linear Viscoelasticity from Molecular Dynamics Simulation of Entangled Polymers
    Macromolecules, Vol. 40, No. 18. (4 September 2007), pp. 6748-6757.
    by AE Likhtman, SK Sukumaran, J Ramirez
    posted to dynamics g0-me reptation rheology simulation sliplink by kaz229 on 2008-02-15 08:02:48 as **
  • Theory of Microphase Separation in Block Copolymers
    Macromolecules, Vol. 13, No. 6. (1980), pp. 1602-1617.
    by Ludwik Leibler
    posted to copolymer gl phase-separation simulation theory by kaz229 on 2008-01-21 11:43:51 as **
  • Self-Consistent-Field Theory of Viscoelastic Behavior of Inhomogeneous Dense Polymer Systems
    Macromolecules, Vol. 36, No. 24. (2 December 2003), pp. 9199-9204.
    by T Shima, H Kuni, Y Okabe, M Doi, XF Yuan, T Kawakatsu
    posted to field-theory reptation scf simulation by kaz229 on 2008-01-21 11:28:53 as **
  • Hybrid Dynamic Density Functional Theory for Polymer Melts and Blends
    Macromolecules, Vol. 40, No. 4. (20 February 2007), pp. 1227-1237.
    by T Honda, T Kawakatsu
    posted to blend field-theory gl scf simulation statistical-mechanics by kaz229 on 2008-01-21 11:15:52 as **
  • Implications of microscopic simulations of polymer melts for mean-field tube theories
    Molecular Physics, Vol. 105, No. 2. (2007), pp. 249-260.
    by Sachin Shanbhag, Seung J Park, Qiang Zhou, Ronald G Larson
    posted to dynamics field-theory molecular-dynamics multi-scale reptation rheology simulation sliplink theory by kaz229 on 2007-07-13 05:02:14 as **
  • Significance of cross correlations in the stress relaxation of polymer melts
    The Journal of Chemical Physics, Vol. 126, No. 24. (2007)
    by Jorge Ramirez, Sathish K Sukumaran, Alexei E Likhtman
    posted to dynamics reptation rheology simulation sliplink theory by kaz229 on 2007-07-04 05:16:54 as ** along with 1 person sas
  • Advances in modeling of polymer melt rheology
    AIChE Journal, Vol. 53, No. 3. (2007), pp. 542-548.
    by Ronald G Larson, Qiang Zhou, Sachin Shanbhag, Seung J Park
    posted to dynamics reptation review simulation sliplink theory by kaz229 on 2007-07-02 12:02:51 as **
  • Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory
    Reports on Progress in Physics, Vol. 67, No. 7. (2004), pp. 1117-1185.
    by Wolfgang Paul, Grant D Smith
    posted to dynamics molecular-dynamics monte-carlo review simulation by kaz229 on 2007-07-02 11:58:53 as **
  • Ring polymer simulations with global radius of curvature
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 75, No. 5. (2007)
    by T Neuhaus, O Zimmermann, Ulrich HE Hansmann
    posted to monte-carlo ring simulation by kaz229 on 2007-07-02 11:51:56 as **
  • Local Dynamics and Primitive Path Analysis for a Model Polymer Melt near a Surface
    Macromolecules, Vol. 40, No. 10. (15 May 2007), pp. 3797-3804.
    by M Vladkov, JL Barrat
    posted to dynamics molecular-dynamics simulation theory by kaz229 on 2007-07-02 11:27:07 as ** along with 1 person sas
  • Dynamics of Confined Polymer Melts: Topology and Entanglement
    Macromolecules, Vol. 29, No. 3. (29 January 1996), pp. 1010-1013.
    by JS Shaffer
    posted to dynamics simulation topology by kaz229 on 2007-07-02 11:24:07 as **
  • Effective interaction parameter of linear/star polymer blends and comparison with that of linear/linear and star/star blends
    The Journal of Chemical Physics, Vol. 126, No. 17. (2007)
    by PE Theodorakis, A Avgeropoulos, JJ Freire, M Kosmas, C Vlahos
    posted to branch monte-carlo simulation star by kaz229 on 2007-06-30 11:12:16 as **
  • Density functional simulation of spontaneous formation of vesicle in block copolymer solutions
    The Journal of Chemical Physics, Vol. 126, No. 11. (2007)
    by Takashi Uneyama
    posted to copolymer field-theory phase-separation simulation tdgl theory by kaz229 on 2007-06-30 11:09:20 as **
  • From atomistic simulations to slip-link models of entangled polymer melts: Hierarchical strategies for the prediction of rheological properties
    Current Opinion in Solid State and Materials Science, Vol. 10, No. 2. (April 2006), pp. 61-72.
    by Christos Tzoumanekas, Doros N Theodorou
    posted to dynamics g0-me molecular-dynamics reptation rheology simulation sliplink by kaz229 on 2007-06-30 11:00:39 as **
  • Stochastic Runge-Kutta algorithms. I. White noise
    Physical Review A, Vol. 45, No. 2. (15 January 1992), 600.
    by Rebecca L Honeycutt
    posted to simulation theory by kaz229 on 2007-06-30 10:58:14 as **
  • Stochastic Runge-Kutta algorithms. II. Colored noise
    Physical Review A, Vol. 45, No. 2. (15 January 1992), 604.
    by Rebecca L Honeycutt
    posted to simulation theory by kaz229 on 2007-06-30 10:56:27 as **
  • Phase separation in polyisoprene/polystyrene blends by a systematically coarse-grained model
    The Journal of Chemical Physics, Vol. 126, No. 14. (2007)
    by Qi Sun, Roland Faller
    posted to blend field-theory phase-separation polyisoprene polystyrene simulation by kaz229 on 2007-06-30 10:54:57 as **
  • Direct Molecular Dynamics Simulation of Branch Point Motion in Asymmetric Star Polymer Melts
    Macromolecules, Vol. 40, No. 9. (1 May 2007), pp. 3443-3449.
    by Q Zhou, RG Larson
    posted to branch dynamics molecular-dynamics simulation star by kaz229 on 2007-06-30 10:48:05 as **
  • A time-integrated estimate of the entanglement mass in polymer melts in agreement with the one determined by time-resolved measurements
    The Journal of Chemical Physics, Vol. 120, No. 6. (2004), pp. 2996-3002.
    by JT Padding, WJ Briels
    posted to dynamics g0-me rheology simulation theory by kaz229 on 2007-06-30 10:30:57 as **
  • Alternative off-lattice model with continuous backbone mass for polymers
    Physical Review E, Vol. 59, No. 1. (January 1999), 636.
    by Gunther Schöppe, Dieter W Heermann
    posted to dynamics molecular-dynamics polycarbonate reptation simulation by kaz229 on 2007-06-30 10:28:43 as **
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