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Thermodynamical Properties of the Solidified Rare Gases

Abstract

Lattice parameter, isothermal bulk modulus and specific heat at constant volume are calculated from Helmholtz free energy for solid Ne, Ar, Kr and Xe. The lattice potential energy is expanded to the fourth order in the nuclear displacements. A perturbation treatment in the quasi harmonic approximation of the partition function includes the cubic anharmonic term to second order and the quartic to first order. Detailed numerical calculations are presented for two interatomic pair potentials, the Lennard-Jones (12,6) and the (exp,a,6). The three nearest neighbours have been taken into account. It is shown that earlier nearest neighbour calculations exaggerate the breakdown of the theory at higher temperatures
Authors:
Publication Date:
Dec 15, 1971
Product Type:
Technical Report
Report Number:
AE-442
Resource Relation:
Other Information: 30 refs., 3 figs., 9 tabs.
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; RARE GASES; THERMODYNAMIC PROPERTIES; NEON; ARGON; XENON; KRYPTON; LATTICE PARAMETERS; SPECIFIC HEAT; FREE ENERGY
OSTI ID:
922442
Research Organizations:
AB Atomenergi, Nykoeping (Sweden)
Country of Origin:
Sweden
Language:
English
Other Identifying Numbers:
TRN: SE0808003
Availability:
Commercial reproduction prohibited; OSTI as DE00922442
Submitting Site:
SWDN
Size:
50 pages
Announcement Date:
Jan 25, 2008

Citation Formats

Ebbsjoe, I. Thermodynamical Properties of the Solidified Rare Gases. Sweden: N. p., 1971. Web.
Ebbsjoe, I. Thermodynamical Properties of the Solidified Rare Gases. Sweden.
Ebbsjoe, I. 1971. "Thermodynamical Properties of the Solidified Rare Gases." Sweden.
@misc{etde_922442,
title = {Thermodynamical Properties of the Solidified Rare Gases}
author = {Ebbsjoe, I}
abstractNote = {Lattice parameter, isothermal bulk modulus and specific heat at constant volume are calculated from Helmholtz free energy for solid Ne, Ar, Kr and Xe. The lattice potential energy is expanded to the fourth order in the nuclear displacements. A perturbation treatment in the quasi harmonic approximation of the partition function includes the cubic anharmonic term to second order and the quartic to first order. Detailed numerical calculations are presented for two interatomic pair potentials, the Lennard-Jones (12,6) and the (exp,a,6). The three nearest neighbours have been taken into account. It is shown that earlier nearest neighbour calculations exaggerate the breakdown of the theory at higher temperatures}
place = {Sweden}
year = {1971}
month = {Dec}
}