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

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Author(s): K Van Workum; K Yoshimoto; J J. de Pablo; Jack F. Douglas;
Title: Isothermal Stress and Elasticity Tensors for Ions and Point Dipoles Using Ewald Summations
Published: Date Unknown
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
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