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

页码：1661 / 1667

页数：7

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