The thesis starts by giving a motivation to materials modeling as a way to increase profitability but also a possibility decrease the environmental impact. Fundamental concepts of relevance for this work are introduced, this include the materials genome, ICME and of course the CALPHAD method. As a demonstration promising results obtained by an ICME approach using genetic algorithms and CALPHAD ...

In the steelmaking industry, inner lining of ladles is made refractory ceramics, which are constantly subjected to thermal shocks during their service. Experimentally, it observed that pre-existing microcracks could significantly increase shock resistance these ceramics. The presence such network within microstructure lead a non-linear quasi-brittle mechanical behaviour. To model this behaviour...

Global steel production is currently dependent on coal and capital-intensive facilities with long economic lifetimes. While the Paris Agreement means carbon neutrality must be reached globally by 2050–2070, negative emissions thereafter, coal-based today accounts for around 8% of global energy-related CO2 emissions. Its may stabilize or even decline in industrialized countries, but it will incr...

The issue of automobile recyclability is a problem with complex ramifications for car makers world-wide. Confronted with increasingly stringent fuel economy, emissions, and safety standards, recyclability is an attribute which can limit the ability of the automaker to meet these other goals economically. Nevertheless, social and political pressures upon the industry require that it responds to ...