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kaz229s molecular-dynamics [40 articles]

Artikler nylig sendt til kaz229s bibliotek klassifisert med nøkkelordet molecular-dynamics. You can also see everyone's molecular-dynamics.
  • 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 **
  • 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
  • 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 **
  • 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 **
  • 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
  • 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 **
  • 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 **
  • 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
  • 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 **
  • 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 **
  • 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 **
  • Ellipsoidal potential parameterization for bisphenol-A polycarbonate
    Macromolecular Theory and Simulations, Vol. 5, No. 6. (1996), pp. 1065-1074.
    by Klaus M Zimmer, Andreas Linke, Dieter W Heermann, Jannis Batoulis, Thorsten Bürger
    posted to molecular-dynamics polycarbonate simulation theory by kaz229 on 2007-06-30 10:24:00 as **
  • What is the entanglement length in a polymer melt?
    Europhysics Letters, Vol. 49, No. 6. (2000), pp. 735-741.
    by M Pütz, K Kremer, GS Grest
    posted to g0-me molecular-dynamics reptation rheology simulation theory by kaz229 on 2007-06-30 10:19:13 as **
  • Computer Simulation of Entanglements in Viscoelastic Polymer Melts
    (2003)
    by Johan Padding
    posted to dynamics g0-me molecular-dynamics review rheology simulation theory by kaz229 on 2007-06-30 10:13:50 as **
  • Uncrossability constraints in mesoscopic polymer melt simulations: Non-Rouse behavior of C120H242
    The Journal of Chemical Physics, Vol. 115, No. 6. (2001), pp. 2846-2859.
    by JT Padding, WJ Briels
    posted to molecular-dynamics simulation soft_potential by kaz229 on 2007-06-28 12:16:15 as **
  • Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations
    The Journal of Chemical Physics, Vol. 117, No. 2. (2002), pp. 925-943.
    by JT Padding, WJ Briels
    posted to molecular-dynamics polyethylene simulation soft_potential theory by kaz229 on 2007-06-28 12:12:48 as **
  • Multiscale modeling of polymer rheology
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 74, No. 3. (2006)
    by Subhranil De, Jacob Fish, Mark S Shephard, Pawel Keblinski, Sanat K Kumar
    posted to dynamics molecular-dynamics multi-scale rheology simulation by kaz229 on 2007-06-27 17:45:56 as ** along with 2 people mss kkims
  • Primitive Path Networks Generated by Annealing and Geometrical Methods: Insights into Differences
    Macromolecules, Vol. 40, No. 8. (17 April 2007), pp. 2897-2903.
    by S Shanbhag, M Kroger
    posted to molecular-dynamics simulation by kaz229 on 2007-06-26 11:51:37 as **
  • Self-assembly and properties of diblock copolymers by coarse-grain molecular dynamics
    Nat Mater, Vol. 3, No. 9. (2004), pp. 638-644.
    by Goundla Srinivas, Dennis E Discher, Michael L Klein
    posted to copolymer molecular-dynamics simulation by kaz229 on 2007-06-26 11:39:48 as **
  • Reptation, Entropic Trapping, Percolation, and Rouse Dynamics of Polymers in "Random" Environments
    Physical Review Letters, Vol. 75, No. 1. (3 July 1995), 164.
    by Gary W Slater, Yan
    posted to dynamics molecular-dynamics reptation simulation theory by kaz229 on 2007-06-17 12:24:12 as **
  • Polymer Dynamics: Long Time Simulations and Topological Constraints
    Brazilian Journal of Physics, Vol. 36, No. 3A. (September 2006), pp. 627-630.
    by Kurt Kremer
    posted to dynamics molecular-dynamics review simulation by kaz229 on 2007-06-17 12:09:05 as **
  • The mesoscopic approach to the dynamics of polymer melts: consequences for the constitutive equation
    Journal of Non-Newtonian Fluid Mechanics, Vol. 76, No. 1-3. (April 1998), pp. 153-181.
    by VN Pokrovskii, Yu Altukhov, GV Pyshnograi
    posted to dynamics molecular-dynamics rheology simulation by kaz229 on 2007-06-17 10:22:55 as **
  • Correspondence relation with respect to entanglement among different simulation models: comparison between bead-spring and bond fluctuation model
    Computational and Theoretical Polymer Science, Vol. 10, No. 3-4. (June 2000), pp. 309-315.
    by M Tanaka, N Kuzuu, S Imai, K Iwata
    posted to g0-me molecular-dynamics monte-carlo simulation theory by kaz229 on 2007-06-17 10:06:27 as ** along with 1 person sas
  • notes Individual entanglements in a simulated polymer melt
    Physical Review E, Vol. 53, No. 2. (February 1996), 1816.
    by E Ben-Naim, GS Grest, TA Witten, ARC Baljon
    posted to dynamics molecular-dynamics simulation topology by kaz229 on 2007-06-12 08:16:29 as **
  • notes Effect of equilibration on primitive path analyses of entangled polymers
    Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol. 72, No. 6. (2005)
    by Robert S Hoy, Mark O Robbins
    posted to molecular-dynamics reptation simulation by kaz229 on 2007-06-12 07:25:59 as **
  • Relaxation of randomly cross-linked polymer melts
    Physical Review Letters, Vol. 67, No. 25. (December 1991), pp. 3531-3534.
    by Edgardo R Duering, Kurt Kremer, Gary S Grest
    posted to crosslink molecular-dynamics simulation theory by kaz229 on 2007-03-04 14:21:49 as **
  • Molecular Dynamics Simulations of Polymer Networks Undergoing Sequential Cross-Linking and Scission Reactions
    Macromolecules, Vol. 40, No. 1. (9 January 2007), pp. 131-139.
    by DR Rottach, JG Curro, J Budzien, GS Grest, C Svaneborg, R Everaers
    posted to crosslink molecular-dynamics simulation theory by kaz229 on 2007-03-04 13:40:12 as **
  • notes Crossover from Unentangled to Entangled Dynamics in a Systematically Coarse-Grained Polystyrene Melt
    Macromolecules, Vol. 39, No. 2. (24 January 2006), pp. 812-820.
    by Q Sun, R Faller
    posted to dynamics molecular-dynamics multi-scale simulation theory by kaz229 on 2007-02-22 14:42:48 as **
  • Linear viscoelasticity revisited: the relaxation function of monodisperse polymer melts
    Macromolecules, Vol. 26, No. 26. (20 December 1993), pp. 7229-7235.
    by A Benallal, G Marin, JP Montfort, C Derail
    posted to molecular-dynamics rheology simulation theory by kaz229 on 2007-02-20 15:37:09 as **
  • Dynamics of model networks: the role of the melt entanglement length
    Macromolecules, Vol. 26, No. 12. (7 June 1993), pp. 3241-3244.
    by Edgardo R Duering, Kurt Kremer, Gary S Grest
    posted to dynamics molecular-dynamics simulation by kaz229 on 2007-02-19 16:55:30 as **
  • Viscoelastic Properties of Polymer Melts from Equilibrium Molecular Dynamics Simulations
    Macromolecules, Vol. 38, No. 3. (2005), pp. 650-653.
    by Suchira Sen, Sanat K Kumar, Pawel Keblinski
    posted to dynamics molecular-dynamics simulation by kaz229 on 2007-02-19 16:12:35 as **
  • Analytical coarse-grained description for polymer melts
    The Journal of Chemical Physics, Vol. 125, No. 23. (2006), 234902.
    by EJ Sambriski, G Yatsenko, MA Nemirovskaya, MG Guenza
    posted to molecular-dynamics simulation theory by kaz229 on 2007-01-30 03:04:00 as **
  • notes Primitive Path Identification and Entanglement Statistics in Polymer Melts: Results from Direct Topological Analysis on Atomistic Polyethylene Models
    Macromolecules, Vol. 39, No. 12. (13 June 2006), pp. 4207-4216.
    by K Foteinopoulou, Karayiannis, VG Mavrantzas, M Kroger
    posted to molecular-dynamics simulation by kaz229 on 2006-12-24 15:10:48 as **
  • A Molecular Dynamics Simulation Study of Segmental Relaxation Processes in Miscible Polymer Blends
    Macromolecules, Vol. 39, No. 24. (4 November 2006), pp. 8526-8535.
    by D Bedrov, GD Smith
    posted to blend molecular-dynamics simulation by kaz229 on 2006-11-14 20:39:40 as **
  • notes Direct Calculation of the Tube Potential Confining Entangled Polymers
    Macromolecules, Vol. 39, No. 19. (19 September 2006), pp. 6737-6743.
    by Q Zhou, RG Larson
    posted to dynamics molecular-dynamics simulation by kaz229 on 2006-10-09 15:19:34 as ** along with 1 person likhtman
  • notes Identifying the primitive path mesh in entangled polymer liquids
    Journal of Polymer Science Part B: Polymer Physics, Vol. 43, No. 8. (2005), pp. 917-933.
    by Sathish K Sukumaran, Gary S Grest, Kurt Kremer, Ralf Everaers
    posted to dynamics molecular-dynamics reptation simulation theory by kaz229 on 2006-10-09 15:14:08 as **
  • notes Entangled polymer systems
    Computer Physics Communications, Vol. 169, No. 1-3. (1 July 2005), pp. 75-81.
    by Kurt Kremer, Sathish K Sukumaran, Ralf Everaers, Gary S Grest
    posted to diffusion molecular-dynamics reptation rheology simulation by kaz229 on 2006-10-09 15:10:10 as **
  • notes Topological Analysis of Linear Polymer Melts: A Statistical Approach
    Macromolecules, Vol. 39, No. 13. (27 June 2006), pp. 4592-4604.
    by C Tzoumanekas, DN Theodorou
    posted to dynamics molecular-dynamics simulation by kaz229 on 2006-10-09 14:59:53 as **
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