Monte Carlo simulation of diblock copolymer microphases by means of a fastoff-lattice model

Citation
G. Besold et al., Monte Carlo simulation of diblock copolymer microphases by means of a fastoff-lattice model, COMP PHYS C, 122, 1999, pp. 542-544
Citations number
23
Categorie Soggetti
Physics
Journal title
COMPUTER PHYSICS COMMUNICATIONS
ISSN journal
00104655 → ACNP
Volume
122
Year of publication
1999
Pages
542 - 544
Database
ISI
SICI code
0010-4655(199909/10)122:<542:MCSODC>2.0.ZU;2-M
Abstract
We present a mesoscopic off-lattice model for the simulation of diblock cop olymer melts by Monte Carlo techniques. A single copolymer molecule is mode led as a discrete Edwards chain consisting of two blocks with vertices of t ype A and B, respectively. The volume interaction is formulated in terms of coarse-grained densities of the A and B vertices. The model allows the stu dy of equilibrium conformational properties of diblock copolymer microphase s for sufficiently large system sizes. (C) 1999 Elsevier Science B.V. All r ights reserved.