Pressure of Coulomb systems with volume-dependent long-range potentials

2023/09/11 by A. S. Onegin, Onegin, A. S., G. S. Demyanov +3 · 3 citations
Earth and Planetary Sciences · Engineering · Materials Science · #Computational Physics (physics.comp-ph) #FOS: Physical sciences #High-pressure geophysics and materials #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Statistical Mechanics (cond-mat.stat-mech)

paper · pdf · doi:10.48550/arxiv.2309.05427

openalex publication_date 2023/09/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

In this work, we consider the pressure of Coulomb systems, in which particles interact via a volume-dependent potential (in particular, the Ewald potential). We confirm that the expression for virial pressure should be corrected in this case. We show that the corrected virial pressure coincides with the formula obtained by differentiation of free energy if the potential energy is a homogeneous function of particle coordinates and a cell length. As a consequence, we find out that the expression for pressure in the recent paper by J. Liang et al. [\hrefhttps://doi.org/10.1063/5.0107140J. Chem. Phys. 157, 144102 (2022)] is incorrect.

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