A calculation of the Deuterium Hugoniot using the classical-map hypernetted-chain (CHNC) approach

TL;DR

This paper calculates the Deuterium Hugoniot using the classical-map hypernetted-chain approach, exploring effective temperature models and molecular features to improve understanding of high-pressure behavior.

Contribution

It updates previous CHNC calculations of the Deuterium Hugoniot by incorporating new effective temperature models and molecular pair distribution functions.

Findings

Identification of molecular pre-peaks in pair distribution functions.

Observation of soft-turning over in the Hugoniot at 0.2-0.6 Megabars.

Enhanced accuracy over previous models.

Abstract

The Hugoniot for Deuterium is calculated using the classical-map hyper-netted-chain (CHNC) approach using several models of the effective temperature that may be assigned to the electron-ion interaction. This effective temperature embodies the exchange-correlation and kinetic energy functional that is assigned to the electron-ion interaction. Deuterium pair distribution functions (calculated using the neutral-pseudo atom method) showing the formation of molecular pre-peaks are displayed to clarify the soft-turning over of the hugoniot in the pressure range of 0.2-0.6 Megabars. This contribution updates a previous CHNC calculation of the deuterium hugoniot given in Phys. Rev. B, 66, 014110 (2002).