New Tungsten Borides, Their Stability and Outstanding
Mechanical Properties
Version 2 2018-06-22, 16:33
Version 1 2018-06-12, 17:28
Posted on 2018-06-22 - 16:33
We
predict new tungsten borides, some of which are promising hard
materials that are expected to be stable in a wide range of conditions,
according to the computed composition–temperature phase diagram.
New boron-rich compound WB5 is predicted to be superhard,
with a Vickers hardness of 45 GPa, to possess high fracture toughness
of ∼4 MPa·m0.5, and to be thermodynamically
stable in a wide range of temperatures at ambient pressure. Temperature
dependences of the mechanical properties of the boron-richest WB3 and WB5 phases were studied using quasiharmonic
and anharmonic approximations. Our results suggest that WB5 remains a high-performance material even at very high temperatures.
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Kvashnin, Alexander
G.; Zakaryan, Hayk A.; Zhao, Changming; Duan, Yifeng; Kvashnina, Yulia A.; Xie, Congwei; et al. (2018). New Tungsten Borides, Their Stability and Outstanding
Mechanical Properties. ACS Publications. Collection. https://doi.org/10.1021/acs.jpclett.8b01262
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AUTHORS (8)
AK
Alexander
G. Kvashnin
HZ
Hayk A. Zakaryan
CZ
Changming Zhao
YD
Yifeng Duan
YK
Yulia A. Kvashnina
CX
Congwei Xie
HD
Huafeng Dong
AO
Artem R. Oganov