Materials Development on the Nanoscale

Typical for modern high-tech materials, the R&D on Complex Metallic Alloys is characterised by the fact that basic and atomistic concepts are not restricted to research but are part of the development of these materials into application. Optimisation of properties by tailoring down to the nanoscale and to atomic level is required. This is also practicable due to recent progress in quantum mechanical and thermodynamic computer modelling of properties from solidification (from the liquid state) and phase formation to dynamic, thermal and electronic properties.

However, the prediction of materials properties and behaviour by computer modelling is and for a long time will be for itself a field of intensive research. Bridging the gap from atomistic quantum mechanics to macroscopic properties is a demanding challenge. The success of this endeavour relies largely on an optimised interplay between theory, experiment and high-precision measurement of materials parameters. Only this way, real long-term options arise.

Therefore, the scientific programme of CMA consists of fundamental approaches such as the calculation of the electronic properties of compounds, the research into ternary and quaternary phase diagrams, structure-property relations combining sophisticated structure determination techniques with advanced techniques like photo-electron spectroscopy and X-ray emission and absorption spectroscopy.

These items provides input for computer modelling. This enables the Network to develop strategies to improve the materials properties towards certain goals. For the Complex Metallic Alloys, such a goal is the tuning of a particular electronic structure which is at the origin of the particular hybrid properties leading to new multi-functional materials derived from them.