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 advanced performances on a competitive time scale is strongly driving the integration of material modeling and simulation techniques into material selection decision processes. Specifically, for complex structural materials such as polymer-based nanocomposites (PNCs), there is a strong industrial demand for chemistry/physics-based models and modeling workflows able to predict relevant material properties in an accurate and reliable way. Under this perspective, in this work we describe the application of multiscale molecular modeling techniques for the choice of PNC materials for aerospace applications. The results are obtained in the framework of the European project Multi-scale Composite Material Selection Platform with a Seamless Integration of Materials Models and Multidisciplinary Design Framework (COMPOSELECTOR), funded by the European Commission within the H2020 call Advancing the integration of materials modeling in business processes to enhance effective industrial decision making and increase competitiveness.