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

Mark Matsen University of Waterloo

**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.