Multimodel approach for accurate determination of industry-driven properties for Polymer Nanocomposite Materials
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...In fact, the possibility of replacing steel with, e.g., PNCs might ultimately result in a substantial weight (up to 50...
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...To answer the question, specific computational procedures based on atomistic molecular dynamics (MD) simulations were developed and applied, starting from well-validated methodologies established for other thermoplastic-based PNCs (Laurini et al. 2018; Laurini et al., 2016;)....
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...Therefore, the DOI: 10.3303/CET1974104 Paper Received: 6 March 2018; Revised: 27 July 2018; Accepted: 3 November 2018 Please cite this article as: Laurini E., Marson D., Aulic S., Mio A., Fermeglia M., Pricl S., 2019, Integrating Multiscale Simulations for Composite Materials with Industrial Business Decisions: the Eu H2020 Composelector Project Experience, Chemical Engineering Transactions, 74, 619- 624 DOI:10.3303/CET1974104 major aim of the European Project COMPOSELECTOR, supported by the European Commission in the H2020 Research and Innovation Programme, is to contribute to a ground-breaking vision consisting in the integration of material modelling and simulation techniques into industrial manufacturing processes of materials characterized by increasing complexity such as PNCs, with specific regard to three industrial user cases, i.e., high performance PNCs for aeronautical (AIRBUS Industries) and automotive applications (DOW Corporation and Goodyear Tire and Rubber Company)....
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...To find a computational answer these questions, a combination of mesoscopic and MD simulation techniques has been adopted and adapted from our previous work in the field (Laurini et al., 2018; Posocco et al., 2016; Fermeglia and Pricl, 2009; Maly et al., 2008b;)....
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...This reflects into an enhancement factor for the Young modulus of the PNCs with respect to the pure PEEK matrix (Ef = EPNC/Ematrix) of 1.2, 1.4, and 1.5 at 5%, 10% and 15% wt/wt CF loading, respectively....
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