Systematic first-principles calculations of the single crystal elastic
stiffness constants (cij?s) and the polycrystalline aggregates including bulk
modulus (B), shear modulus (G), Young?s modulus (E) have been performed for
series binary and ternary Al compounds at 0 K. In addition, the
temperature-dependent elastic properties for some technologically important
phases are calculated. The cij?s are calculated by means of an efficient
strain-stress method. Phonon density of states or Debye model is employed to
calculate the linear thermal expansion, which is then used to calculate the
temperature dependence of elastic properties. The calculated
temperature-dependent elastic properties are compiled in the format of
CALPHAD (CALculation of PHAse Diagram) type formula. The presently computed
elastic properties for Al compounds are needed for simulation of
microstructure evolution of commercial Al alloys during series of processing
route.