First-Principles Study on the Ideal Strengths of Typical Hcp Metals

Abstract:

The ideal strengths of several hcp metals (Be, Mg, Ti, Zn, Y, Zr and Ru) have been investigated by first-principles stress–strain calculations. The results reveal that the ideal shear strengths of these hcp metals occur mainly on basal plane or prismatic plane. Particularly, for basal plane the peak shear stress in direction is smaller than that in direction. The calculated tensile strengths and elongations in direction are broadly consistent with the available theoretical results. Furthermore, both the ideal shear and tension strengths become stronger with the decreasing of c/a for these simple metals or transition metals. The calculated electronic structure further reveals the inherent mechanism of hcp metals.

• Periodical: Advanced Materials Research (Volumes 476-478)
• Pages: 2523-2529
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.476-478.2523
• Online since: February 2012
• Authors: Lin Fu, Quan Zhang, Bi Yu Tang
• Keywords: Elongations, First-Principles Stress–Strain Calculations, hcp Metals, Ideal Strengths, Stress Strain

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