Calculation of the structure and thermodynamic properties of liquid rare-earth metals

Journal Article · Fri Mar 01 04:00:00 EST 1985 · High Temp. (Engl. Transl.); (United States)

OSTI ID:6441076

Kiselev, A I

The Mansouri--Canfield variational method and the pseudopotential method (Ashcroft model pseudopotential) were used to calculate the structure and thermodynamic properties of La, Ce, Pr, Nd, and Sm. Structural parameters near the melting point and the Ashcroft pseudopotential parameter were self-consistently calculated with the use of the condition of minimum free energy and with agreement of the theoretical and empirical values of electrical resistance. The positions of the first two maximums of the structure factor were calculated. Satisfactory agreement was obtained between calculated and empirical results.

• Research Organization: Institute for Chemistry, Ural Science Center, Academy of Sciences of the USSR, Sverdlovsk
• OSTI ID: 6441076
• Journal Information: High Temp. (Engl. Transl.); (United States), Journal Name: High Temp. (Engl. Transl.); (United States) Vol. 23:2; ISSN HITEA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
FLUIDS
FREE ENERGY
LIQUID METALS
LIQUIDS
MATHEMATICAL MODELS
MELTING POINTS
METALS
PHYSICAL PROPERTIES
RARE EARTHS
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE
VARIATIONAL METHODS