Monte Carlo phase diagram for diblock copolymer melts |
| |
Authors: | T M Beardsley and M W Matsen |
| |
Institution: | (1) University of Caxias do sul (UCS) Caxias do Sul, Caxias do Sul, Brazil;(2) Redouane Borsali CERMAV, CNRS-UPR 5301 and Joseph Fourier University, Grenoble Cedex 9, France; |
| |
Abstract: | 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. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|