  Atomistic theory holds the promise for the ab initio development of
superalloys based on the fundamental principles of quantum mechanics. The last
years showed a rapid progress in the field. Results from atomistic modeling
enter larger-scale simulations of alloy performance and often may be compared
directly to experimental characterization. In this chapter we give an overview
of atomistic modeling and simulation for Ni-base superalloys. We cover
descriptions of the interatomic interaction from quantum-mechanical simulations
with a small number of atoms to multi-million-atom simulations with classical
interatomic potentials. Methods to determine structural stability for different
chemical compositions, thermodynamic and kinetic properties of typical defects
in superalloys, and relations to mechanical deformation are discussed.
Connections to other modeling techniques are outlined.
