On the Construction of Equations of State for Solids with the Use of Interatomic Interaction Potentials

2005 ◽  
Vol 48 (7) ◽  
pp. 665-670 ◽  
Author(s):  
A. G. Popov ◽  
V. E. Borodai
Keyword(s):  
Equations Of State ◽  
Interatomic Interaction ◽  
Interaction Potentials

Temperature Dependence of the Second Dielectric Virial Coefficients of Rare Gases

1994 ◽  
Vol 49 (9) ◽  
pp. 890-894 ◽  
Author(s):  
M.O. Bulanin ◽  
U. Hohm ◽  
Yu. M . Ladvishchenko ◽  
K . Kerl
Keyword(s):  
Temperature Dependence ◽  
Temperature Variation ◽  
Virial Coefficient ◽  
Virial Coefficients ◽  
Interatomic Interaction ◽  
Regular Pattern ◽  
Rare Gases ◽  
Dimensionless Form ◽  
Interaction Potentials ◽  
Available Information

Second dielectric virial coefficients Bε (T) of the rare gases Ne, Ar, Kr, and Xe are calculated in a broad range of temperature using accurate HFD-type interatomic interaction potentials and available information on the trace of the pair polarizability Δα. It is shown that the experimentally determined temperature-variation of Bε(T) cannot be reproduced by existing theories. However, it is observed that the reduced dimensionless form of Bε(T) follows a remarkably regular pattern, strongly resembling the sign-inverted temperature variation of the second density virial coefficient Bϱ(T) with the same Boyle-temperature.

scholarly journals Термомеханика деформаций в ангармоническом твердом теле

2019 ◽  
Vol 61 (4) ◽  
pp. 765
Author(s):  
Н.Н. Горобей ◽  
А.С. Лукьяненко
Keyword(s):  
Degrees Of Freedom ◽  
Equations Of State ◽  
Interatomic Interaction ◽  
The Body ◽  
Free Energies ◽  
External Temperature ◽  
Interatomic Interaction Potential ◽  
Interaction Potential Energy ◽  
Classical Region ◽  
Temperature Force

AbstractThe macroscopic laws determining the temperature and deformations of an anharmonic solid body in a given external temperature force field have been stated in the form of the first thermodynamics law supplemented by equations of state of the body. The internal and free energies necessary for it are found from the statistical sum in which some of degrees of freedom determining the body shape are discharged from statistical averaging. These functions of state have been calculated up to the first order of the perturbation theory in the anharmonicity for the microscopic dynamic model of the body with the interatomic interaction potential energy given as a series in powers of atom coordinates. The classical region of high temperatures is considered.

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