The aim of the seminar is to bring together distinguished experts in ab-initio calculations and thermodynamic/kinetic modeling of metals and steels. In particular, the meeting will discuss recent progress in the accurate and efficient modeling of finite-temperature properties/processes and phase transitions. It is the fourth workshop in a series of international meetings devoted to the ab initio description of iron and steel (ADIS).
In the workshop various ab initio approaches and thermodynamic/kinetic methods for the modelling of finite-temperature properties/processes and phase transitions will be discussed. In addition more empirical approaches, such as Calphad and Dictra, will be an important topic of the workshop. Key experts in these fields have been invited to give tutorial-like lectures on recent methodological advances and successful applications.
The aim of the meeting is the discussion of concepts and exchange of ideas for a combination of these approaches in order to describe engineering materials. A particular (but not exclusive) focus will be on iron, steel and metal alloys. The development of ab initio based thermodynamic tools will be crucial to meet the increasing demand in fabricating novel alloys with tailormade properties such as e.g. light-weight high-strength steels in the car industry.
The workshop is part of the activities of the collaborative research centre “Steel – ab initio” (SFB761), which provides most of the financial support. It is devoted to quantum-mechanically guided design of new Fe-based materials, with a particular focus on high-Mn steels.