Isothermal stress and elasticity tensors for ions and point dipoles using Ewald summations

Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Jun;71(6 Pt 1):061102. doi: 10.1103/PhysRevE.71.061102. Epub 2005 Jun 7.

Abstract

The isothermal stress tensor and isothermal elasticity tensor for systems of point charges and of nonpolarizable point dipoles are derived from the strain derivatives of the free energy. For the case of point dipoles, it is shown that the angular dependence of the interaction potential gives rise to additional contributions to the stress and elasticity tensors not recognized previously.