Nonempirical approximation for the ionic thermal contribution to the equations of state based on average-atom models

A simple nonempirical approximation is proposed to calculate the ionic thermal contribution to the average-atom equations of state. The approximation represents the main regularities of temperature and mass-density dependences of the ionic thermodynamic-function components revealed from the pseudoatom molecular dynamics calculations. It is shown that the employment of our approximation instead of commonly used ideal-gas or one-component-plasma approximations significantly improves the accuracy of the equations-of-state calculations done with the Liberman average-atom model.

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Publication Details

Journal
Physical review. E
Published
2025-04-09
DOI
https://doi.org/10.1103/physreve.111.045204
Primary Topic
High-pressure geophysics and materials
Type
article
Field-Weighted Citation Impact
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article

Nonempirical approximation for the ionic thermal contribution to the equations of state based on average-atom models

F.A. Sapozhnikov, P. A. Loboda, A. A. Ovechkin
Physical review. E
High-pressure geophysics and materials
article

Nonempirical approximation for the ionic thermal contribution to the equations of state based on average-atom models

F.A. Sapozhnikov, P. A. Loboda, A. A. Ovechkin
article en

Abstract

A simple nonempirical approximation is proposed to calculate the ionic thermal contribution to the average-atom equations of state. The approximation represents the main regularities of temperature and mass-density dependences of the ionic thermodynamic-function components revealed from the pseudoatom molecular dynamics calculations. It is shown that the employment of our approximation instead of commonly used ideal-gas or one-component-plasma approximations significantly improves the accuracy of the equations-of-state calculations done with the Liberman average-atom model.

Physical review. EVol. 111(4)
All-Russian Scientific Research Institute of Technical Physics (RU), National Research Nuclear University MEPhI (RU)
Climate action
Openalex Percentile: Top 90%
High-pressure geophysics and materials
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