Date: Friday 6th of September 2024, 14:00 (BST).
Location: INB3305 (Isaac Newton Building).

‘Development of quantitatively accurate simulations for block copolymer materials’

by Prof. Mark Matsen, University of Waterloo, Waterloo, UK.

Abstract:

Block copolymers self-assemble into a rich array of periodically-ordered microstructures that can be exploited for various applications. While the existing theories have been remarkably successful, they have nevertheless lacked the ability to provide quantitatively accurate predictions. However, this is poised to change. Firstly, it has been demonstrated that block copolymer phase behaviour becomes universal at high molecular weights, which implies that these molecules can be accurately represented by simple coarse-grained models, in particular, the standard Gaussian-chain model. Secondly, an accurate method has been developed for calibrating the Flory-Huggins interaction parameter, χ. Thirdly, the development of field-theoretic simulations has overcome many of the limitations of conventional particle-based simulations. These advances will be discussed in the context of the diblock copolymer melt. The resulting ability to perform quantitatively accurate simulations is likely to open a new chapter in block copolymer research, in much the same way self-consistent field theory did 30 years ago.