Relationship between the thermodynamic excess properties of mixing and the elastic moduli in the monazite-type ceramics

@inproceedings{Kowalski2016RelationshipBT,
  title={Relationship between the thermodynamic excess properties of mixing and the elastic moduli in the monazite-type ceramics},
  author={Piotr M. Kowalski and Yan Li},
  year={2016}
}
Abstract Using ab initio quantum chemistry we computed the excess thermodynamic properties and the elastic moduli for a series of monazite-type single substitution solid solutions (Ln1−xLnxPO4). We found that the Margules interaction parameters of all the solid solutions can be described by a simple function of the endmembers volume mismatch ΔV, i.e. W ( kJ / mol ) = 0.616 ( Δ V ( cm 3 / mol ) ) 2 . We show that the obtained relationship could be also derived by considering the strain energy… CONTINUE READING