First-Principles Calculations to Investigate the Third-Order Elastic Constants and Mechanical Properties of Mg, Be, Ti, Zn, Zr, and Cd

We present theoretical studies for the third-order elastic constants of Mg, Be, Ti, Zn, Zr, and Cd with a hexagonal-close-packed (HCP) structure. The method of homogeneous deformation combined with first-principles total-energy calculations is employed. The deformation gradient Fij is applied to the...

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Bibliographic Details
Main Authors: Xiaoqing Yang, Zhenya Meng, Hailin Cao
Format: Article
Language:English
Published: Wiley 2021-01-01
Series:Advances in Materials Science and Engineering
Online Access:http://dx.doi.org/10.1155/2021/8726250
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