ТОМ 82, №4
THERMODYNAMIC PROPERTIES OF LIQUID METALS USING PERCUS-YEVICK (PY) HARD SPHERE REFERENCE SYSTEM
The Gibbs-Bogoliubov inequality is used to evaluate the Helmholtz free energy of some liquid metals. The structural contribution to this energy is investigated by adopting the Percus<196>Yevick (PY) hard sphere fluid. A well-known single parametric empty core local pseudopotential of Ashcroft is applied to describe the electron<196>ion interaction along with five different local field correction functions, viz, Hartree, Taylor, Ichimaru-Utsumi, Farid et al., and Sarkar et al. The difference from 2.18 to 28.00% in the influence on the Helmholtz free energy is concluded to be due to these local field correction functions with respect to the static Hartree dielectric function. A qualitative agreement with experimental or theoretical results is achieved.
Автор: Aditya M. Vora
Ключевые слова: Thermodynamic properties; pseudopotential theory; PY hard sphere model; liquid metals.
Стр: 780
Aditya M. Vora.
THERMODYNAMIC PROPERTIES OF LIQUID METALS USING PERCUS-YEVICK (PY) HARD SPHERE REFERENCE SYSTEM // Инженерно-физический журнал.
. ТОМ 82, №4. С. 780.
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