Advertisement

Dissipative Particle Dynamics Approach to Nematic Polymers

  • Antonino Polimeno
  • Alexandre Gomes
  • Assis Farinha Martins
Part of the NATO Science Series II: Mathematics, Physics and Chemistry book series (NAII, volume 177)

Abstract

We discuss a Dissipative Particle Dynamics (DPD) approach to simulate oligomers and polymeric chains with nematic mesophases. Definition of mesogenic units are discussed, based either on semi-rigid units with standard DPD beads interacting only via soft repulsive potentials and linked by harmonic springs or on corrected DPD potentials including an orienting term between adjacent couples of beads. In the first case oriented phases are presented for systems made of single free semi-rigid units and, as an example of main-chain flexible liquid crystal polymer, by three linked semi-rigid units. In the second case an example of switching system is discussed, in the presence of an external potential.

Keywords

Monte Carlo Dissipative Particle Dynamic Liquid Crystal Polymer Dissipative Particle Dynamic Simulation Mesogenic Unit 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. [1]
    P.A. Lebwohl, G. Lasher, Phys. Rev. A, 6:426, 1972.CrossRefADSGoogle Scholar
  2. [2]
    G.R. Luckhurst, P. Simpson, Molec. Phys., 47(2):251, 1982.CrossRefADSGoogle Scholar
  3. [3]
    U. Fabbri, C. Zannoni, Molec. Phys., 58(4):763, 1986.CrossRefADSGoogle Scholar
  4. [4]
    C. Zannoni, M. Guerra, Molec. Phys., 44(4):849, 1981.CrossRefADSGoogle Scholar
  5. [5]
    G.R. Luckhurst, P. Simpson, C. Zannoni, Chem. Phys. Lett., 78(3):429, 1981.CrossRefADSGoogle Scholar
  6. [6]
    E. DeMiguel, L.F. Rull, M.K. Chalam, K.E. Gubins, Mol. Phys., 74(2):405, 1991.CrossRefADSGoogle Scholar
  7. [7]
    G.R. Luckhurst, P.S.J. Simmonds, Mol. Phys., 80(2):233, 1993.CrossRefADSGoogle Scholar
  8. [8]
    A.M. Smondyrev, G.B. Loriot, R.A. Pelcovits, Phys. Rev. Lett., 75(12):2340, 1995.CrossRefADSGoogle Scholar
  9. [9]
    J.H.R. Clarke, Molecular dynamics of amorphous polymers. In The physics of glassy polymers, Edited by R. J. Young, R. N. Haward, London: Chapman and Hall, pag. 33, 1997.Google Scholar
  10. [10]
    M.J. Cook, M.R. Wilson, Mol. Cryst. Liq. Cryst., 363:181, 2001.CrossRefGoogle Scholar
  11. [11]
    P. Ziherl, M. Vilfan, S. Zumer, Phys. Rev. E, 52(1):690, 1995.CrossRefADSGoogle Scholar
  12. [12]
    P. Ziherl, S. Zumer, Phys. Rev. E, 54(2):1592, 1996.CrossRefADSGoogle Scholar
  13. [13]
    A. Polimeno, L. Orian, A.E. Comes, A.F. Martins, Phys. Rev. E, Part A, 62(2):2288, 2000.CrossRefADSGoogle Scholar
  14. [14]
    M. Lukaschek, A.. Comes, A. Polimeno, C. Schmidt, G. Kothe, J. Chem. Phys., 117(9):455, 2002.CrossRefGoogle Scholar
  15. [15]
    K. Binder, W. Paul, J. Polym Sci. Part B — Polym. Phys., 35(1):1, 1997.CrossRefADSGoogle Scholar
  16. [16]
    P. Espafñol, Europhys Lett., 39(6):605, 1997.CrossRefADSGoogle Scholar
  17. [17]
    P.J. Hoogerbrugge, J.M.V.A. Koelman, Europhys. Lett., 19(3):155, 1992; J.M.V.A. Koelman, P.J. Hoogerbrugge, Europhys. Lett., 21(3):363, 1993.ADSCrossRefGoogle Scholar
  18. [18]
    R.D. Groot, P.B. Warren, J. Chem. Phys., 107(11):4423, 1997.CrossRefADSGoogle Scholar
  19. [19]
    Y. Kong, C.W. Manke, W.G. Madden, A.G. Schlijper, J. Chem. Phys., 107(2):592, 1997.CrossRefADSGoogle Scholar
  20. [20]
    A.G. Schlijper, P.J. Hoogerbrugge, C.W. Manke, J. Rheol., 39(3):567, 1995.CrossRefADSGoogle Scholar
  21. [21]
    R.D. Groot, T.J. Madden, J. Chem. Phys., 108(20):8713, 1998.CrossRefADSGoogle Scholar
  22. [22]
    E.S. Boek, P.V. Coveney, H.N.W. Lekkerkerker, J. Phys. — Cond. Mat., 8(47):9509, 1996.CrossRefADSGoogle Scholar
  23. [23]
    E.S. Boek, P.V. Coveney, H.N.W. Lekkerkerker, P. van der Schoot, Phys. Rev. E, 55(3):3124, 1997.CrossRefADSGoogle Scholar
  24. [24]
    P. Espafñol, Phys. Rev. E, 52(2):1734, 1995.MathSciNetCrossRefADSGoogle Scholar
  25. [25]
    P. Espafñol, P.B. Warren, Europhys Lett., 30(4):191, 1995.CrossRefADSGoogle Scholar
  26. [26]
    W.K. den Otter, J.H.R. Clarke, Europhys. Lett., 53(4):426, 2001.CrossRefADSGoogle Scholar
  27. [27]
    W.K., den Otter, J.H.R. Clarke, Int. J. Mod. Phys. C, 11(6):1179, 2000.CrossRefADSGoogle Scholar
  28. [28]
    G. Besold, I. Vattulainen, M. Karttunen, M. Poison, Phys. Rev. E, 62(6):7611, 2000.CrossRefADSGoogle Scholar
  29. [29]
    P. Nikunen, M. Karttunen, I. Vattulainen, Comput. Phys. Commun., 153(3):407, 2003.CrossRefADSGoogle Scholar
  30. [30]
    J. Bonet Avalos, A.D. Mackle, J. Chem. Phys., 111(11):5267, 1999.CrossRefADSGoogle Scholar

Copyright information

© Kluwer Academic Publishers 2005

Authors and Affiliations

  • Antonino Polimeno
    • 1
  • Alexandre Gomes
    • 1
    • 2
  • Assis Farinha Martins
    • 2
  1. 1.Dipartimento di Chimica FisicaUniversità degli Studi di PadovaPadovaItaly
  2. 2.Departamento de Ciência dos Materiais Faculdade de Ciêndcias e TecnologiaUniversidade Nova de LisboaCaparicaPortugal

Personalised recommendations