Accessibility navigation


Monte Carlo field-theoretic simulations for melts of symmetric diblock copolymer

Stasiak, P. and Matsen, M. W. (2013) Monte Carlo field-theoretic simulations for melts of symmetric diblock copolymer. Macromolecules, 46 (19). pp. 8037-8045. ISSN 0024-9297

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.

To link to this item DOI: 10.1021/ma401687j

Abstract/Summary

Monte Carlo field-theoretic simulations (MCFTS) are performed on melts of symmetric diblock copolymer for invariant polymerization indexes extending down to experimentally relevant values of N̅ ∼ 10^4. The simulations are performed with a fluctuating composition field, W_−(r), and a pressure field, W_+(r), that follows the saddle-point approximation. Our study focuses on the disordered-state structure function, S(k), and the order−disorder transition (ODT). Although shortwavelength fluctuations cause an ultraviolet (UV) divergence in three dimensions, this is readily compensated for with the use of an effective Flory−Huggins interaction parameter, χ_e. The resulting S(k) matches the predictions of renormalized one-loop (ROL) calculations over the full range of χ_eN and N̅ examined in our study, and agrees well with Fredrickson−Helfand (F−H) theory near the ODT. Consistent with the F−H theory, the ODT is discontinuous for finite N̅ and the shift in (χ_eN)_ODT follows the predicted N̅^−1/3 scaling over our range of N̅.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Science > School of Mathematical, Physical and Computational Sciences > Department of Mathematics and Statistics
ID Code:35388
Publisher:American Chemical Society

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

Page navigation