A. Zvelindovsky’s talk at Nakayoshi Seminar in Sendai

Nakayoshi Seminar in Sendai

Nakayoshi-seminar

15 March, 2024 (Fri.) 16:00-17:30

Computer modelling of composite nanostructured block copolymer based materials

A.V. Zvelindovsky, Centre for Computational Physics, University of Lincoln, UK

Abstract:

Modern technology requires economic use of materials and energy. A possible solution to achieve that economy is to develop materials with well-controlled nanostructures. A powerful materials platform to develop such materials is using block copolymers as a building matrix. The advantage of such an approach is that block copolymers have intrinsic ability to form such structure at the nano-scale and the structure formation can be manipulated by various factors (external fields, additives, external surfaces, etc).
In this talk we illustrate results of computer modelling of block copolymer systems with and without added nanoparticles. Nanoparticles increase complexity of the nanostructures which will have new materials properties. We investigate these systems with two methods. One is a phase field approach based on Ginzburg-Landau and Ohta-Kawasaki free energies, also known as cell dynamics. Due to a very large controlling parameters space experimental work on creating new materials benefits from the computer modelling guidance. Therefore, an important challenge is to develop fast and accurate computational tools capable of simulation of samples of many nano-domain spacings in size and for experimentally relevant times. Phase field method is fast and well suited for this task. Second method is based on self-consistent field theory; it is an accurate method but more computationally demanding. The computational results are compared with experiments, where available.

“Nakayoshi” means “good friendship”. That is the name of the seminar, which combines several research groups in Tohoku University in Sendai, Japan, around Soft Matter. Andrei visits Professor Toshihiro Kawakatsu in Sendai on JSPS (Japan Society for the Promotion of Science) Invitation Fellowship trip.

With Toshihiro Kawakatsu before the seminar.

Next to Toshihiro’s office