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Nanocomposites Modelling Group


The Nanocomposites Modelling Group (NMG) in the IINM is led by Dr. Figiel, and it is focused on the development of theory and simulation tools for prediction and optimisation of functional properties of heterogeneous materials filled with nanoparticles for applications in energy, biomedical, automotive sectors.

The Group works closely with the Warwick Centre for Predictive Modelling (WCPM), and the Centre for Scientific Computing (CSC) at the University of Warwick on a range of research projects focussing on the development of robust methods for quantification of uncertainties in multiscale materials models, and development/application of efficient high peformance computing approaches for those models.

Research themes

I. Chemo-Mechanical Theory and Simulation for Materials for Energy Applications

This research is focussed on the development of continuum chemo-mechanical modelling framework for prediction of the response of advanced heterogeneous materials for energy applications:

 Chemo-mechanical model for stress assisted two-phase lithiation of Si particles (open access)

II. Multiscale Modelling of Coupled Problems for Functional Materials

This work aims at developing coupled multiscale models using scale-transitions to predict response (e.g. dielectric, piezoelectric) of complex polymer-based composite systems.

III. Processing & Property Predictions for Biobased Polymer Composites

Processing near the glass transition offers means for enhancing morphology and end-use properties of nanocomposites. This work aims at developing advanced modelling approaches and tools, which capture nonlinear viscoelastic behaviour of nanoparticle-based materials during processing, and enable optimisation of processing parameters.