MOdelling of morphology DEvelopment of micro- and NAnostructures

MoDeNa aims at developing, demonstrating and assessing an easy-to-use multi-scale software-modelling framework application under an open-source licensing scheme that delivers models with feasible computational loads for process and product design of complex materials. The use of the software will lead to novel research and development avenues that fundamentally improve the properties of these nanomaterials.

As an application case we consider polyurethane foams (PU), which is an excellent example of a large turnover product produced in a variety of qualities and of which the properties are the result of designing and controlling the material structure on all levels of scale, from the molecule to the final product. Polyurethanes are used in furniture, automotive, coatings, construction, thermal insulation and footwear, which are the most important industry sectors. Tailoring these properties requires understanding and detailed modelling of the fundamental material behaviour on all scales.

TU/e carries out research in WP2, WP3 and WP6. The TU/e will analyze the effect of coalescence in a foaming system, study a growing microscopic box containing 5 to 10 bubbles as a function of bulk and interface properties. Furthermore, TU/e, having experience in computational rheology, once the morphology (and the rheology) are known, these can be passed to continuum models for the macroscopic description of the system. This is typically done by solving the governing equations for the flow of the resulting multi-phase system (in the context of CFD).

Type of research: numerical