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PIRSA:13120009

Video URL

https://pirsa.org/13120009

Monte Carlo Field-Theoretic Simulations Applied to Block Copolymer Melts

          @misc{ scivideos_PIRSA:13120009,
            doi = {10.48660/13120009},
            url = {https://pirsa.org/13120009},
            author = {Matsen, Mark},
            keywords = {},
            language = {en},
            title = {Monte Carlo Field-Theoretic Simulations Applied to Block Copolymer Melts},
            publisher = {Perimeter Institute for Theoretical Physics},
            year = {2013},
            month = {dec},
            note = {PIRSA:13120009 see, \url{https://scivideos.org/index.php/pirsa/13120009}}
          }

Mark Matsen University of Waterloo

Talk numberPIRSA:13120009
DOI10.48660/13120009
Source RepositoryPIRSA
Collection
Talk Type Conference

Abstract

Monte Carlo field-theoretic simulations (MC-FTS) are performed on melts of symmetric diblock copolymer for invariant polymerization indexes extending down to experimentally relevant values of N=104. 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 short-wavelength fluctuations cause an ultraviolet (UV) divergence in three dimensions, this is readily compensated for with the use of an effective Flory-Huggins interaction parameter, ce. The resulting S(k) matches the predictions of renormalized one-loop (ROL) calculations over the full range of ceN and N 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 N and the shift in (ceN)ODT follows the predicted N-1/3 scaling over our range of N.