Traditionally different disciplines focus on different length scales. Multiscale modelling of materials across the length scales requires overcoming the borders between the disciplines for a seamless integration of the models on different length scales into one coherent multi-scale modelling framework (After D.G. Pettifor, 1991).

ICAMS: multi-scale modelling and design of technical materials as a scientific challenge

ICAMS focuses on the development of methods to predict the behaviour of materials, in order to design materials with specific properties. This requires a multiscale materials modelling framework that is based on the fundamental laws of nature and links the electronic modelling hierarchy through the atomistic and mesoscale modelling regimes to macroscopic material behaviour. It is evident that such a framework may not be based on rigid, formal parameterizations alone but must emerge from a detailed understanding of the mechanistic behaviour of materials, a robust knowledge of materials properties and metallurgical trends, and must take into account the processing of materials as the basis of dynamical structure property relations. Through bundling expertise on modelling and simulation of materials across all length and time scales at ICAMS and the advanced study groups with experimental support as well as input and insight from industry, ICAMS is in a unique position that will allow it to fast-track the development of advanced multi-scale modelling methods.

ICAMS focuses on three fields to achieve its aims:

• Research: Modelling of materials across the length scales is an interdisciplinary task as different disciplines tend to focus on certain aspects and length scales of materials (see figure above). The expertise and experience available at ICAMS and in the advanced study groups will help us to tackle complex materials modelling problems and to establish ICAMS as a leading centre for multi-scale materials modelling.

 

• Application: Input and feedback from industry and experiment is vital for the development of successful multi-scale materials modelling frameworks. Only a problem-driven approach will be able to contribute to technological development and deliver a multi-scale modelling frame-work that will help guide the design of new materials.

   

• Education: A long-term impact of materials modelling can be sustained only by educating students that will then apply their knowledge and skills in industry and academia. ICAMS will setup a master’s course with focus on multi-scale modelling and also contributes special lectures to the curricula of mechanical engineering and physics.