VECTORIZED VERSION OF THE BOND FLUCTUATION METHOD FOR LATTICE POLYMERS

被引：85

作者：

WITTMANN, HP ^{[1
]}

KREMER, K ^{[1
]}

机构：

[1] FORSCHUNGSZENTRUM JULICH, INST FESTKORPERFORSCH, W-5170 JULICH 1, GERMANY

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1990年 / 61卷 / 03期

关键词：

D O I：

10.1016/0010-4655(90)90047-5

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

The "bond fluctuation method", a coarse-grained lattice model for polymers is discussed. This lattice model is especially useful to obtain static and dynamic properties of dense and/or branched polymers, in all spacial dimensions. The method can be tailored to a CRAY. For the sake of simplicity the vectorizing version of the algorithm is explained in an example in 2 dimensions. The source code for the d-dimensional case is given in appendix.

引用

页码：309 / 330

页数：22

共 26 条

[1] NEW MONTE-CARLO METHOD FOR THE SELF-AVOIDING WALK
BERRETTI, A
SOKAL, AD
[J]. JOURNAL OF STATISTICAL PHYSICS, 1985, 40 (3-4) : 483 - 531
[2] BERRETTI A, VECTORIZED PROGRAM M
[3] BINDER K, IN PRESS MOL LEVEL C
[4] 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
[5] CARMESIN I, 1988, POLYM MOTIONS DENSE, P214
[6] DEUTSCH HP, UNPUB J CHEM PHYS
[7] Doi M., 1986, THEORY POLYM DYNAMIC
[8] SIMULATION OF THE BROWNIAN-MOTION OF MACROMOLECULAR CHAINS .1. LOCAL MOTIONS AND CHAIN CONFORMATIONS
GENY, F
MONNERIE, L
[J]. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 1979, 17 (01) : 131 - 146
[9] MONTE-CARLO SIMULATION OF DENSE POLYMER SYSTEMS ON A LATTICE
GEYLER, S
PAKULA, T
REITER, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (04) : 2676 - 2680
[10] VECTORIZED LINK CELL FORTRAN CODE FOR MOLECULAR-DYNAMICS SIMULATIONS FOR A LARGE NUMBER OF PARTICLES
GREST, GS
DUNWEG, B
KREMER, K
[J]. COMPUTER PHYSICS COMMUNICATIONS, 1989, 55 (03) : 269 - 285

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