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Isothermal Stress and Elasticity Tensors for Ions and Point Dipoles Using Ewald Summations

Published

Author(s)

K Van Workum, K Yoshimoto, J J. de Pablo, Jack F. Douglas

Abstract

The isothermal stress tensor and isothermal elasticity tensor for systems of point charges and of non-polarizable 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. A discrepancy in the literature concerning the kinetic contribution to the elasticity tensor is also addressed.
Citation
Physical Review B (Condensed Matter and Materials Physics)

Keywords

dipolar fluid, elasticity tensor, ewald summation, ionic fluid, stress tensor

Citation

Van Workum, K. , Yoshimoto, K. , de Pablo, J. and Douglas, J. (2008), Isothermal Stress and Elasticity Tensors for Ions and Point Dipoles Using Ewald Summations, Physical Review B (Condensed Matter and Materials Physics) (Accessed May 20, 2024)

Issues

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Created October 16, 2008