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Modelling Materials

The future of the European industry is associated with a strong materials modelling capacity. An efficient modelling approach is needed to shorten the development process of materials-enabled products.

Review of Materials Modelling

A Review of Materials Modelling has been written and describes modelling of materials, their properties and use in industrial applications illustrated by 80 FP7 Industrial Technologies NMP Materials projects. It does not require prior knowledge of the subject. It is written for anybody interested. It contains no equations.

Version 3 of the Review contains an overview of existing materials models newly classified in four categories (electronic, atomistic, mesoscopic and continuum).The types are defined according to the entity whose behaviour the models describe. Until now materials models were presented by the length and time scales of the domain to which the model is applied, but as computers grow stronger the application domains started to overlap and their scale is no longer a good identifier for the model. We believe it is the first time that these four fields are brought together in one overview and that this joint presentation will stimulate the exchange between stakeholders, linking of models and further developments.

A new classification of existing models into four types is presented. Until now materials models have been presented by the length and time scales of the domain to which the model is applied, but as computers grow stronger the application domains started to overlap ( e.g. phenomena at nm scale can be modeled with mesoscopic and continuum models) and their scale (e.g. nm) is no longer a good identifier for the model. In this new classification, models are defined by the entity whose behaviour is described in the approximated physics/chemistry equation. This entity can be an electron, an atom, a particle/grain or a unit cell.

The Review is to provide insight into the work of the modellers and help the reader to see the models as more than mere “black boxes”. Application areas of modelling span all industrial sectors. The bulk of the projects are applying existing models to new materials, which shows that the current state of the art of modelling can be characterised as "mature".

Review of Materials Modelling
What makes a material function? Let me compute the ways…

Modelling in FP7 NMP Programme - Materials projects

Third version May 2014

Available in English

(3.55MB)

Materials Modelling: Where do we want to go?

In the new Framework programme H2020 of the European Union, efforts will continue to consolidate the strong European position in the field. A first meeting on "Materials Modelling: Where do we want to go?" has been held in February 2014 and the minutes can also be found on this web address.


Materials Modelling: Where do we want to go?
First report of the European Materials Modeling Council


Available in English

(568KB)