Accessibility navigation

Monte Carlo phase diagram for diblock copolymer melts

Matsen, M. W., Griffiths, G. H., Wickham, R. A. and Vassiliev, O. N. (2006) Monte Carlo phase diagram for diblock copolymer melts. Journal of Chemical Physics, 124 (2). 024904. ISSN 0021-9606

Full text not archived in this repository.

It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing.


A partial phase diagram is constructed for diblock copolymer melts using lattice-based Monte Carlo simulations. This is done by locating the order-disorder transition (ODT) with the aid of a recently proposed order parameter and identifying the ordered phase over a wide range of copolymer compositions (0.2 <= f <= 0.8). Consistent with experiments, the disordered phase is found to exhibit direct first-order transitions to each of the ordered morphologies. This includes the spontaneous formation of a perforated-lamellar phase, which presumably forms in place of the gyroid morphology due to finite-size and/or nonequilibrium effects. Also included in our study is a detailed examination of disordered cylinder-forming (f=0.3) diblock copolymers, revealing a substantial degree of pretransitional chain stretching and short-range order that set in well before the ODT, as observed previously in analogous studies on lamellar-forming (f=0.5) molecules. (c) 2006 American Institute of Physics.

Item Type:Article
Divisions:Science > School of Mathematical, Physical and Computational Sciences > Department of Mathematics and Statistics
ID Code:4892
Additional Information:024904

University Staff: Request a correction | Centaur Editors: Update this record

Page navigation