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- Title
Influence of Re Concentration on the Mechanical Properties of Tungsten Borides from First-Principles Calculations.
- Authors
Pan, Yong; Lin, Yuanhua
- Abstract
Tungsten borides are promising high-temperature materials. However, the structure and hardening mechanisms of tungsten boride are still great challenges. To solve the problems, we apply the first-principles method to study the structure of WB and explore the influence of alloying element Re on the mechanical properties of WB. The calculated Vickers hardness of WB is 39.1 GPa. We further find that a low concentration of Re can improve the hardness of WB, which is in good agreement with the experimental result. However, the hardness and elastic properties of WB decrease gradually with increasing Re concentration. The calculated results show that the structure and hardness of WB are attributed to the B-B hexagonal prism. A high concentration of Re weakens the charge interaction between the B-B atoms, and reduces the mechanical properties of WB. Therefore, we can adjust the alloy concentration to improve the Vickers hardness of transition metal borides.
- Subjects
TUNGSTEN compounds; BORIDES; HARDENING (Heat treatment); VICKERS hardness; ELASTIC properties of metals; MECHANICAL properties of metals
- Publication
JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2017, Vol 69, Issue 10, p2009
- ISSN
1047-4838
- Publication type
Article
- DOI
10.1007/s11837-017-2483-7