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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

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To link to this article 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
Refereed:Yes
Divisions:Faculty of Science > School of Mathematical and Physical Sciences > Department of Mathematics and Statistics
ID Code:7363
Publisher:Springer
Publisher Statement:The original publication is available at www.springerlink.com

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