Theoretical high-pressure equations of state and phase diagrams of the alkali metals

Journal Article · Sun Jan 15 04:00:00 EST 1984 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.29.682· OSTI ID:5257337

Young, D A; Ross, M

A two-parameter Heine-Abarenkov local pseudopotential is used to fit experimental room-temperature isotherms of lithium, sodium, and potassium up to pressures of 100 kbar. Lattice dynamics and one-component-plasma fluid variational theory are then used to compute solid-solid and solid-liquid phase boundaries, which are found to be in good agreement with experiment. The theoretical shock-compression Hugoniot curves differ significantly from experiment near 1 Mbar, and anomalously low values of the theoretical lattice Grueneisen parameter are obtained at very high compression. Further improvements in the theoretical models are suggested.

• Research Organization: Lawrence Livermore National Laboratory, University of California, Livermore, California 94550
• OSTI ID: 5257337
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 29:2; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALKALI METALS
DIAGRAMS
ELEMENTS
EQUATIONS
EQUATIONS OF STATE
GRUENEISEN CONSTANT
ISOTHERM
LITHIUM
MECHANICS
MEDIUM TEMPERATURE
METALS
PHASE DIAGRAMS
POTASSIUM
SODIUM
STATISTICAL MECHANICS
VARIATIONAL METHODS
VERY HIGH PRESSURE