Abstract:
To understand most technologically important properties of materials, modelling of corresponding phenomena and processes has to be performed at various levels, integrating possibly across all length scales from nano (electronic structure, atomistics) to macro (continuum mechanics). In the present talk, the concept of multiscale modelling of material properties is briefly outlined and several illustrative examples are given (magnetism and phase transformations in iron, impurity segregation to grain boundaries, positron annihilation in nanocrystalline nickel). In conclusion, the role of multiscale modelling in contemporary materials science and engineering is discussed.