2001/03/22 by Junzo Chihara, Ichirou Fukumoto, Mitsuru Yamagiwa +1 · 1 citation
Earth and Planetary Sciences · Engineering · Materials Science · Physics and Astronomy · #Fusion materials and technologies #High-pressure geophysics and materials #Thermodynamic and Structural Properties of Metals and Alloys #cond-mat.mtrl-sci
paper · pdf · doi:10.1088/0953-8984/13/33/301
18 pages, no figure
arxiv created 2001/03/22 · openalex publication_date 2001/08/02 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/04
First, pressure formulae for electrons under the external potential produced by fixed nuclei are derived both in surface integral and volume integral forms for an arbitrary volume chosen in the system; the surface integral form is based on a pressure tensor which is the sum of the kinetic and exchange-correlation parts in the density-functional theory, and the volume integral form represents the virial theorem with subtraction of the nuclear virial term. Secondly, on the basis of these formulae, the thermodynamical pressure of liquid metals and plasmas is represented in the forms of a surface integral and a volume integral including the nuclear contribution. From these results, we obtain a virial pressure formula for liquid metals, which is more accurate and simpler than the standard representation. On the basis of our formulation, some comments are made on pressure formulae derived previously and on a definition of pressure used widely.