Implementation of a new model for pressure dependence of condensed phases in Thermo-Calc
2005 (English)In: Calphad, ISSN 0364-5916, E-ISSN 1873-2984, Vol. 29, no 1, 49-55 p.Article in journal (Refereed) Published
The high pressure modelling of condensed phases has mainly been a topic for geophysics, but there is an interest in modelling moderate pressure dependence also for materials science and engineering. The Murnaghan equation of state has been implemented in the Thermo-Calc software to represent the pressure-dependent part of the Gibbs energy. Recently it has been shown by Jacobs and Oonk that an equation of state derived from an empirical relationship between volume and isothermal bulk modulus can be applied to represent experimental data in volume-pressure-temperature space with equal or better accuracy then the Murnaghan equation of state. In this paper we extend this equation of state and show that a simpler expression for the Gibbs energy can be derived than that given by Jacobs and Oonk. The resulting expression for the Gibbs energy has been implemented in the Thermo-Calc software.
Place, publisher, year, edition, pages
2005. Vol. 29, no 1, 49-55 p.
Equation of state, Modelling, Pressure, Thermo-Calc, Thermodynamic
IdentifiersURN: urn:nbn:se:kth:diva-5246DOI: 10.1016/j.calphad.2005.04.001ISI: 000231153300007ScopusID: 2-s2.0-21844476821OAI: oai:DiVA.org:kth-5246DiVA: diva2:8130
QC 20100917. Uppdaterad från In press till Published (20100917)2005-06-012005-06-012010-09-17Bibliographically approved