A selfconsistent thermodynamic model of a metal solid (using aluminum as an example) (Q2498162)

The authors introduce a self-consistent thermodynamic model for metals, using the molar thermodynamic potential \(\phi \) (as a function of the temperature \(T\) and of the pressure \(P\)) and the molar free energy \(F\) (as a function of the temperature and of the molar volume \(V\)). The total differentials of these thermodynamic potentials are given as \(d\phi =-SdT+VdP \); \(dF=-SdT-PdV\), where \(S\) is the molar entropy. The authors then present expressions of \(S\), \(V\) and \(P\). They also introduce expressions of the molar heat capacity \(C=T(\partial S/\partial T)_{P}\), of the volume coefficient of thermal expansion \(o=V^{-1}(\partial V/\partial T)_{P}\) and of the volumetric modulus of elasticity \(K=-V(\partial P/\partial V)_{T}\), involving the Gruneisen parameters \(\gamma _{\theta }\) and \(\gamma _{\theta }^{\ast }\) associated to the Debye temperature \(\theta \). In the last part of the paper, the authors present some numerical computations, but without describing the structure of the code they use.