M. Zhang et al., Elastic constants of polycrystalline Al and TiN calculated by an ab initiomethod within the local-density approximation, J MATER RES, 16(8), 2001, pp. 2293-2297
The three single-crystal elastic constants of the cubic materials Al and Ti
N were calculated by an ab initio method within the local-density approxima
tion of density-functional theory. The values were compared with experiment
and averaged by the Kroner method to give polycrystalline results. The res
ults agree well with experiment.