A multiscale modelling framework, especially for corrosion modelling, requires not only robust computational tools but also an efficient datacentric architecture for handling information exchange at different modelling scales. Different computational solvers require and produce data in different pro...

First-principles virtual tensile and shear test calculations have been performed to Al(0 03 ¯)//-AlFeSi(0 0 1) and Al(01 ¯ 4)//Fe 4 Al 13 (1 01 ¯) interfaces by the ab initio pseudo potential density functional theory method. Work of separation, ultimate tensile strength and shear str...

An introduction to the European Materials & Modelling Ontology (EMMO) will be given. It provides a framework to integrate materials data and models into a coherent, science-based knowledge system, enabling interoperability and enhanced decision making based on a combination of data (statistics) ...

An introduction to the European Materials & Modelling Ontology (EMMO) will be given. It provides a framework to integrate materials data and models into a coherent, science-based knowledge system, enabling interoperability and enhanced decision making based on a combination of data (statistics) ...