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Free Energies of Solid and Liquid Metals. Thermodynamic Calculation of Melting Temperature
Author(s) -
BelanGaiko L. V.,
Bogdanov V. I.,
Fuks D. L.
Publication year - 1980
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221020124
Subject(s) - pseudopotential , thermodynamics , liquid metal , melting temperature , structure factor , radial distribution function , metal , liquid phase , materials science , lattice (music) , lattice vibration , lattice energy , solid solution , chemistry , condensed matter physics , crystal structure , computational chemistry , metallurgy , crystallography , physics , phonon , acoustics , molecular dynamics , composite material
For the investigation of the free energy of metals and their temperature dependence in solid and liquid phases the pseudopotential method is used. In calculating the free energy in a solid phase the lattice vibration contribution is considered. In definition of the pair potential in liquid metals the volume change of the metal during its melting is taken into account. The structure of liquid metals is calculated with the help of the found potential using the integral equation method. The solutions of different equations for the radial distribution function are compared and the influence of the model form factor and the method of screening in the electron gas on the liquid metal structure is discussed.