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

@article{Kowalski2016RelationshipBT,
  title={Relationship between the thermodynamic excess properties of mixing and the elastic moduli in the monazite-type ceramics},
  author={P. Kowalski and Y. Li},
  journal={Journal of The European Ceramic Society},
  year={2016},
  volume={36},
  pages={2093-2096}
}
  • P. Kowalski, Y. Li
  • Published 2016
  • Materials Science
  • Journal of The European Ceramic Society
  • 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
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