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Multiscale Materials Modelling

Multiscale Modelling & Simulation

Our work is focused on the development of multiscale modelling methodologies and computational tools to provide more insight into structure-property relations of functional heterogeneous materials with micro- and nano-size inclusions. For this we utilize the concepts of continuum mechanics, micromechanics, homogenisation, and combine them with heterogeneous multiscale methods, numerical methods for solving PDEs, and data-driven approaches.

We work 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 focusing on the development of robust methods for quantification of uncertainties in multiscale material models, data-driven multiscale approaches and development/application of efficient high peformance computing for those models.

Main research themes

Interfacial behaviour

This theme aims to provide more insight into the interfacial behaviour at the nanoscale and its impact on the overall (macroscopic) properties of heterogeneous materials with micro- and nano-size particles, and nano-structured material phases. A particular focus is on developing molecular-continuum approaches and models that can capture interfacial interactions at the molecular level and the nanoscale material behaviour near the interfaces to study their effects on various physical and mechanical properties of functional heterogeneous material systems. Theories and models capturing the multiphysics behaviour (e.g. interfacial polarization, transport properties across interfaces) coupled with mechanics are also of interest in our group.

Manufacturing-structure-property relations

Large nonlinear viscoelastic deformations resulting from the material manufacturing have a profound effect on the structure (and it evolution) and properties of material with micro- and nano-size particles, and nanostructured phases. This work aims at developing multiscale micro-to-macro approaches and computational tools to capture strain-induced crystallisation and morphology evolution of heterogeneous materials during manufacturing that can ultimately predict particle dispersion and material crystallinity as a result of manufacturing conditions. Ultimately, this information is then used in various computational homogenization approaches to predict material end-use properties (e.g. material strength, or chemo-mechanical behaviour).