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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Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
Wiley
2021-01-01
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Series: | Advances in Materials Science and Engineering |
Online Access: | http://dx.doi.org/10.1155/2021/8726250 |
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