Williams, Jennifer J.; Evans, Kenneth E. and Walton, Richard I.
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|DOI (Digital Object Identifier) Link:||http://doi.org/10.1063/1.2162859|
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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. ©2006 American Institute of Physics.
|Item Type:||Journal Article|
|Copyright Holders:||2006 American Institute of Physics|
|Academic Unit/Department:||Science > Life, Health and Chemical Sciences
|Depositing User:||Astrid Peterkin|
|Date Deposited:||22 Dec 2006|
|Last Modified:||23 Feb 2016 20:47|
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