HYBRID MONTE-CARLO SIMULATION OF POLYMER-CHAINS

被引:35
|
作者
IRBACK, A
机构
[1] Department of Theoretical Physics, University of Lund, S-223 62 Lund
来源
JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 02期
关键词
D O I
10.1063/1.467787
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for homopolymers with short- or long-range self-repulsion, using chains with 16 less than or equal to N less than or equal to 512 monomers. Without excessive fine tuning, we find that the computational cost grows as N-2+z' with 0.64<z'<0.84. In addition, we report results for the scaling of the end-to-end distance, r(1N)similar to N-v(1n N)(-alpha).
引用
收藏
页码:1661 / 1667
页数:7
相关论文
共 50 条
  • [41] A MONTE-CARLO SIMULATION OF POLYMER-POLYMER INTERDIFFUSION
    JILGE, W
    CARMESIN, I
    KREMER, K
    BINDER, K
    MACROMOLECULES, 1990, 23 (23) : 5001 - 5013
  • [42] MONTE-CARLO STUDIES OF SELF-INTERACTING POLYMER-CHAINS WITH EXCLUDED VOLUME .2. SHAPE OF A CHAIN
    MAZUR, J
    GUTTMAN, CM
    MCCRACKIN, FL
    MACROMOLECULES, 1973, 6 (06) : 872 - 874
  • [43] UNIVERSAL SHAPE PROPERTIES OF OPEN AND CLOSED POLYMER-CHAINS - RENORMALIZATION-GROUP ANALYSIS AND MONTE-CARLO EXPERIMENTS
    JAGODZINSKI, O
    EISENRIEGLER, E
    KREMER, K
    JOURNAL DE PHYSIQUE I, 1992, 2 (12): : 2243 - 2279
  • [44] MONTE-CARLO SIMULATION OF LENNARD-JONES CHAINS
    LI, XJ
    CHIEW, YC
    JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (03): : 2522 - 2531
  • [45] MONTE-CARLO SIMULATION OF THE STRENGTH OF HYBRID COMPOSITES
    FUKUDA, H
    CHOU, TW
    JOURNAL OF COMPOSITE MATERIALS, 1982, 16 (SEP) : 371 - 385
  • [46] MONTE-CARLO STUDIES OF LATTICE-MODEL POLYMER-CHAINS .4. EQUILIBRIUM DIMENSIONS AND DISTRIBUTIONS IN ROUSE COORDINATES
    VERDIER, PH
    JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (12): : 5708 - 5713
  • [47] Monte Carlo simulation on the adsorption of polymer chains on polymer brushes
    Wang Chao
    Zhou Yan-Li
    Wu Fan
    Chen Ying-Cai
    ACTA PHYSICA SINICA, 2020, 69 (16)
  • [48] SIMULATION OF ENTANGLED POLYMER-CHAINS
    DEUTSCH, JM
    JOURNAL OF POLYMER SCIENCE-POLYMER SYMPOSIA, 1985, (73) : 161 - 173
  • [49] HYBRID MONTE-CARLO SIMULATIONS OF DENSE POLYMER SYSTEMS
    FORREST, BM
    SUTER, UW
    JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (03): : 2616 - 2629
  • [50] HYBRID MONTE-CARLO
    DUANE, S
    KENNEDY, AD
    PENDLETON, BJ
    ROWETH, D
    PHYSICS LETTERS B, 1987, 195 (02) : 216 - 222