MOdelling of morphology DEvelopment of micro- and NAnostructures (MoDeNa)
MoDeNa focuses on the development of 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.
The latest version of the developed multiscale modelling software is hosted on GitHub.
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. An open-source software-suite will be constructed that logically interlinks scale and problem specific software of our university groups, using a software orchestrator that communicates information utilizing our proposed new communication standard in both directions, namely upwards to the higher scale and downwards to the lower scale. This feature is unique, enabling the solution of complex material design problems. By that this project contributes to strengthening the European leadership in design and production of nanocomposite materials with functional properties in general. It will also contribute to strengthening European SME positions in the development of computationally intensive simulation software. Finally, it will contribute to making production processes more efficient by combining scale-specific software tools thereby decreasing the time-to-market. This will enable the exploration of many more alternatives eventually leading to improved products and processes.
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