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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 834-836Theoretical Predication Method of High Order...

Theoretical Predication Method of High Order Elastic Constants of Cubic and Tetragonal Crystal Material

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Abstract:

The theoretical method of predicating second and third order elastic constants of cubic and tetragonal material are presented by using first-principles total-energy method combined with the means of homogeneous deformation. The predicted results of SrTiO₃ provide reasonable agreement with the reported experimental data, other theoretical results and Cauchy relations. Since high order elastic constants are very difficult to be measured, the methods presented here provide a valuable guidance for experiments and the investigation of high order elastic properties for cubic and tetragonal materials.

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Periodical:

Advanced Materials Research (Volumes 834-836)

Pages:

263-267

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.834-836.263

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Online since:

October 2013

Authors:

Hong Yang*, Wen Qi Huang

Keywords:

Cubic Phase, High Order Elastic Constants, SrTiO₃, Tetragonal Phase

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© 2014 Trans Tech Publications Ltd. All Rights Reserved

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