The present project aims to establish a European Consortium bringing together leading experts in the fields of computational materials modelling, experimental materials research and industrial development of high-performance glass materials. The scientific and technological activities of the consortium shall be devoted to improving the efficiency, functionality and reliability of glass products for pharmaceutical and thin-layer optical and photovoltaic applications. The scope of the work will be to gain a detailed, atomic-scale knowledge of chemical and physical processes taking place at glassy interface systems. The Consortium will further develop a recently proposed atomistic modelling method which spans across multiple time and size simulation scales bridging the quantum-mechanical with the classical level of precision. The method will be applied to two scientific problems which require quantum precision and very large model system sizes. We will investigate (i) the adhesion between a glassy SiO2 phase and a protein-containing water solution, relevant to pharmaceutical applications and (ii) the cohesion between a glassy SiO2 phase and a TiO2-based coating layer, relevant to thin-layer optical or photovoltaic applications. The theoretical work will be carried out in close coordination with experimental activity. Novel materials will be designed and implemented into product prototypes within the R&D infrastructure of a leading European glass-producing company on the basis of the acquired knowledge. Our results will be disseminated through scientific papers, workshops and training activities especially designed for members of the industrial sector as well as for the scientific academic community.
Fields of science
Call for proposal
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