Computer simulation of the induced Snoek effect of impurity-vacancy pairs in NaCl-type crystals

At room temperature and above, the solution hardening of NaCl:M2+ systems (where M2+ is a divalent cation impurity) is controlled by impurity (I)-vacancy (V) dipoles through the induced Snoek effect. As the movement of vacancies is essentially a diffusion, the rotation of I–V dipoles can be considered as a Markov process that can be simulated on a computer. In spite of the simplicity of the model and computation presented, they give fairly good numerical results for calcium-doped NaCl.