Elastic properties of fluid mercury across the metal-nonmetal transition: Ab initio simulation study
Disordered Systems and Neural Networks
2025-06-26 v2 Materials Science
Abstract
We report an ab initio molecular dynamics study of fluid mercury at temperature 1750 K in the range of densities 7-13.5 g/cm. Along this isothermal line we performed an analysis of total charge fluctuations, which make evidence of neutral atom-like screening in fluid Hg for densities less than 9.25 g/cm, which practically coincides with the emergence of the gap in electronic density of states. High-frequency shear modulus, high-frequency and adiabatic speeds of sound, shear viscosity, Maxwell relaxation time and dispersion of collective excitations are analyzed as a function of density along the isothermal line.
Keywords
Cite
@article{arxiv.2506.09757,
title = {Elastic properties of fluid mercury across the metal-nonmetal transition: Ab initio simulation study},
author = {T. Bryk and O. Bakai and A. P. Seitsonen},
journal= {arXiv preprint arXiv:2506.09757},
year = {2025}
}
Comments
12 pages, 9 figures