Monte Carlo phase diagram for diblock copolymer melts

Beardsley, T. M. and Matsen, M. W. (2010) Monte Carlo phase diagram for diblock copolymer melts. European Physical Journal E, 32 (3). pp. 255-264. ISSN 1292-8941 doi: 10.1140/epje/i2010-10651-x

Abstract/Summary

The phase diagram for diblock copolymer melts is evaluated from lattice-based Monte Carlo simulations using parallel tempering, improving upon earlier simulations that used sequential temperature scans. This new approach locates the order-disorder transition (ODT) far more accurately by the occurrence of a sharp spike in the heat capacity. The present study also performs a more thorough investigation of finite-size effects, which reveals that the gyroid (G) morphology spontaneously forms in place of the perforated-lamellar (PL) phase identified in the earlier study. Nevertheless, there still remains a small region where the PL phase appears to be stable. Interestingly, the lamellar (L) phase next to this region exhibits a small population of transient perforations, which may explain previous scattering experiments suggesting a modulated-lamellar (ML) phase.

Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/7363
Item Type	Article
Refereed	Yes
Divisions	Science > School of Mathematical, Physical and Computational Sciences > Department of Mathematics and Statistics
Publisher	Springer
Publisher Statement	The original publication is available at www.springerlink.com
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