The use of force-field based molecular modeling to predict the elastic constants of the zeolite chlorosodalite is described. Theoretical predictions of the on-axis and off-axis elastic constants strongly suggest that an error exists in the published elastic constants of the material. When the previous experimental data are corrected by transposing the published directional ultrasound velocities, excellent agreement is observed between the off-axis plots of sodalite produced by experiment and modeling. Further confirmation of the prediction is supplied by considering the Zener ratios of other inorganic materials that possess cubic symmetry.
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Research Article| January 13 2006
On the elastic constants of the zeolite chlorosodalite
Jennifer J. Williams;
Kenneth E. Evans;
Jennifer J. Williams, Kenneth E. Evans, Richard I. Walton; On the elastic constants of the zeolite chlorosodalite. Appl. Phys. Lett. 9 January 2006; 88 (2): 021914. https://doi.org/10.1063/1.2162859
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