Potential-pressure approximation based on a generalized formula for the Gruneisen coefficient

Citation
Lf. Gudarenko et Sn. Pryalov, Potential-pressure approximation based on a generalized formula for the Gruneisen coefficient, CHEM PHYS R, 18(10-11), 2000, pp. 1851-1863
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS REPORTS
ISSN journal
10741550 → ACNP
Volume
18
Issue
10-11
Year of publication
2000
Pages
1851 - 1863
Database
ISI
SICI code
1074-1550(2000)18:10-11<1851:PABOAG>2.0.ZU;2-F
Abstract
A dependence of the potential pressure on material density in the form of a n alternating-sign power absolutely converging series is derived from the w ell-known formula for the Gruneisen coefficient as a function of the potent ial pressure which results from generalization of three various models of i nteraction between atoms in the lattice (Slater-Landau, Dugdal-McDonald, an d Zubarev-Vashchenko). A certain density dependence of the Gruneisen coeffi cient is used in this derivation. Zero isotherms for fourteen metals are ca lculated by the derived formula with the use of published data on the Grune isen functions and compared with available results. By way of example of ap proximation of tabulated potential pressure functions for Cu, Mo, Ni, and W in the range of compression ratios from 1 to 2000 the approximation abilit y of the derived formula is assessed in comparison with other analytical de pendences.