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 50 条
  • [1] Simulations of polymer solutions: A field-theoretic approach
    Alexander-Katz, A
    Moreira, AG
    Fredrickson, GH
    MESOSCALE PHENOMENA IN FLUID SYSTEMS, 2003, 861 : 279 - 289
  • [2] Field-theoretic simulations of confined polymer solutions
    Alexander-Katz, A
    Moreira, AG
    Fredrickson, GH
    JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (19): : 9030 - 9036
  • [3] Free energy evaluation in field-theoretic polymer simulations
    Lennon, Erin M.
    Katsov, Kirill
    Fredrickson, Glenn H.
    PHYSICAL REVIEW LETTERS, 2008, 101 (13)
  • [4] Progress in fully fluctuating field-theoretic polymer simulations
    Delaney, Kris T.
    Fredrickson, Glenn H.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [5] Field-theoretic simulations in the Gibbs ensemble
    Riggleman, Robert A.
    Fredrickson, Glenn H.
    JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (02):
  • [6] Assessment of the partial saddle point approximation in field-theoretic polymer simulations
    Quah, Timothy
    Delaney, Kris T.
    Fredrickson, Glenn H.
    JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (16):
  • [7] Field-theoretic simulations of bottlebrush copolymers
    Spencer, Russell K. W.
    Matsen, Mark W.
    JOURNAL OF CHEMICAL PHYSICS, 2018, 149 (18):
  • [8] Fully fluctuating field-theoretic simulations of bicontinuous microemulsions in polymer blends
    Delaney, Kris T.
    Fredrickson, Glenn H.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
  • [9] Field-theoretic simulations of polyelectrolyte complexation
    Popov, Yuri O.
    Lee, Jonghoon
    Fredrickson, Glenn H.
    JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 2007, 45 (24) : 3223 - 3230
  • [10] Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions
    Delaney, Kris T.
    Fredrickson, Glenn H.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (31): : 7615 - 7634