Research Interests

Research in my group has been on computational materials engineering of advanced functional materials for a range of applications, from aerospace to energy storage.

We have focused on the modelling of the coupling between mechanics and underlying physico-chemical processes occurring in those materials (e.g. stress-affected chemical reactions). In operando experimental analysis of those effects is quite complex, and theoretical approaches and numerical simulations are invaluable to understand mechanisms governing those phenomena.

For this, we have been developing both mechanistic and data-driven modelling approaches combining different theoretical frameworks and simulation tools from across time and length scales, down from the atomistic level right up to the continuum scale.

Selected Recent Publications

Sultanova A., Figiel L. (2021) Microscale diffusion-mechanics model for a polymer-based solid-state battery cathode Computational Materials Science 186: 109990.

Chandra Y., Adhikari S., Saavedra Flores E.I., Figiel L. (2020) Advances in finite element modelling of graphene and associated nanostructures Materials Science and Engineering: R: Reports 140 100544.

Poluektov M., Freidin A.B., Figiel L. (2019) Micromechanical modelling of mechanochemical processes in heterogeneous materials Modelling and Simulation in Materials Science and Engineering 27 084005 (Open Access).