Effects of intrinsic anharmonicity in the Mie–Grüneisen equation of state and higher order corrections

Autor:	Wilfried B. Holzapfel
Rok vydání:	2005
Předmět:	Rare gas Equation of state Internal energy Condensed matter physics Chemistry Anharmonicity Thermal Order (group theory) Condensed Matter Physics Temperature limit Mie–Gruneisen equation of state
Zdroj:	High Pressure Research. 25:187-203
ISSN:	1477-2299 0895-7959
DOI:	10.1080/08957950500235900
Popis:	The usual quasiharmonic Mie–Gruneisen (MG) equation of state is modified by the inclusion of ‘intrinsic anharmonicities’, which have been considered up to now primarily in the high temperature limit. A comparison with experimental data for the rare gas solids, Ar, Kr and Xe and for MgO reveals that the anharmonic contributions cannot be represented perfectly within the MG approximation. A small but significant modification of the MG approach is presented to estimate intrinsic anharmonic contributions within a mean-field approximation for the thermal part of the internal energy. This estimate results in reasonable interpolations to low temperatures, where quantum effects are dominant. The present approach is also compared with more restricted recent theoretical results.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a06105c94fc53277132ef9435f66baf2 https://doi.org/10.1080/08957950500235900 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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