Multimodel approach for accurate determination of industry-driven properties for Polymer Nanocomposite Materials

The need for effective and efficient design and production of sophisticated materials with advancedperformances on a competitive time scale is strongly driving the integration of material modelingand simulation techniques into material selection decision processes. Specifically, for complex struc-tural materials such as polymer-based nanocomposites (PNCs), there is a strong industrial demand forchemistry/physics-based models and modeling workflows able to predict relevant material properties inan accurate and reliable way. Under this perspective, in this work we describe the application of multiscalemolecular modeling techniques for the choice of PNC materials for aerospace applications. The resultsare obtained in the framework of the European project Multi-scale Composite Material Selection Platformwith a Seamless Integration of Materials Models and Multidisciplinary Design Framework (COMPOSELECTOR), funded by the European Commission within the H2020 call Advancing the integration of materialsmodeling in business processes to enhance effective industrial decision making and increase competitiveness.