PIRSA:13120009

Monte Carlo Field-Theoretic Simulations Applied to Block Copolymer Melts

APA

Matsen, M. (2013). Monte Carlo Field-Theoretic Simulations Applied to Block Copolymer Melts. Perimeter Institute. https://pirsa.org/13120009

MLA

Matsen, Mark. Monte Carlo Field-Theoretic Simulations Applied to Block Copolymer Melts. Perimeter Institute, Dec. 05, 2013, https://pirsa.org/13120009

BibTex

          @misc{ pirsa_13120009,
            doi = {},
            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},
            year = {2013},
            month = {dec},
            note = {PIRSA:13120009 see, \url{https://pirsa.org}}
          }
          

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.