Field-theoretic polymer simulations

被引:135
作者
Ganesan, V [1 ]
Fredrickson, GH
机构
[1] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA
[2] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA
来源
EUROPHYSICS LETTERS | 2001年 / 55卷 / 06期
关键词
D O I
10.1209/epl/i2001-00353-8
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
A method is presented for numerically sampling functional integrals in field theory models of polymer solutions and melts. The approach effectively relaxes the mean-field approximation in self-consistent field theories of equilibrium polymer phases. Viewed from another perspective, the method provides an alternative to conventional particle-based simulations of coarse-grained models of polymers. We demonstrate the technique by applying it to examine fluctuation effects on the order-disorder transition in symmetric diblock copolymer melts. Extensions to more complex polymer blends, copolymers, and solutions are outlined.
引用
收藏
页码:814 / 820
页数:7
相关论文
共 25 条
  • [1] [Anonymous], ADV CHEM PHYS, DOI [10.1002/9780470143728, DOI 10.1002/9780470143728.CH1]
  • [2] BARZOVSKII SA, 1975, SOV PHYS JETP, V41, P85
  • [3] Polymeric bicontinuous microemulsions
    Bates, FS
    Maurer, WW
    Lipic, PM
    Hillmyer, MA
    Almdal, K
    Mortensen, K
    Fredrickson, GH
    Lodge, TP
    [J]. PHYSICAL REVIEW LETTERS, 1997, 79 (05) : 849 - 852
  • [4] Block copolymers - Designer soft materials
    Bates, FS
    Fredrickson, GH
    [J]. PHYSICS TODAY, 1999, 52 (02) : 32 - 38
  • [5] BINDER K, 1992, COMPUTATIONAL MODELI
  • [6] THE BOND FLUCTUATION METHOD - A NEW EFFECTIVE ALGORITHM FOR THE DYNAMICS OF POLYMERS IN ALL SPATIAL DIMENSIONS
    CARMESIN, I
    KREMER, K
    [J]. MACROMOLECULES, 1988, 21 (09) : 2819 - 2823
  • [7] de Gennes P.G., 1979, SCALING CONCEPTS POL
  • [8] Doi M., 1986, The Theory of Polymer Dynamics
  • [9] Combinatorial screening of complex block copolymer assembly with self-consistent field theory
    Drolet, F
    Fredrickson, GH
    [J]. PHYSICAL REVIEW LETTERS, 1999, 83 (21) : 4317 - 4320
  • [10] STATISTICAL MECHANICS OF POLYMERS WITH EXCLUDED VOLUME
    EDWARDS, SF
    [J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1965, 85 (546P): : 613 - &