Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

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Theoretical prediction of validity of isothermal EOS for calculation of Gr├?┬╝neisen Parameter for bcc elements

Author(s): Anjani K Pandey

The Grüneisen parameter ( ) is of considerable importance to Earth scientists because it sets limitations on the thermoelastic properties of the lower mantle and core. However, there are several formulations of the Grüneisen parameter in frequent use which not only give different values for at ambient pressure but also predict a varying dependence of as a function of compression. The Grüneisen parameter is directly related to the equation of state (EOS), yet it is often the case that both the form of and the EOS are chosen independently of each other and somewhat arbitrarily. In this paper we have assessed some of the more common definitions of the Grüneisen parameter and the EOS, and have applied them to a test the validity of EOS for eight different bcc elements.


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