Five-parameter equation of solids considering thermal effect which correctly incorporates cohesive energy

A five-parameter equation of state (EOS) is proposed, which correctly incorporates the cohesive energy data without physically incorrect oscillations in both extreme high pressure and expansion regions. Based on a modified Einstein model, the thermal effect is included in the proposed EOS complying...

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Veröffentlicht in:Physica. B, Condensed matter Condensed matter, 2011-03, Vol.406 (6), p.1276-1282
Hauptverfasser: Da, Zhang, Jiuxun, Sun, Yinmei, Zhao
Format: Artikel
Sprache:eng
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Zusammenfassung:A five-parameter equation of state (EOS) is proposed, which correctly incorporates the cohesive energy data without physically incorrect oscillations in both extreme high pressure and expansion regions. Based on a modified Einstein model, the thermal effect is included in the proposed EOS complying with the zero-pressure condition. With this thermal EOS applied to five solids (Ar, Al, Au, Cu and Li), some important thermodynamic properties as isotherm, isochore, thermal expansion coefficient, volume modulus, heat capacity and Hugoniot are calculated for each selected solid with good agreement with experimental data, which confirms the validity of the present work
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2011.01.016