New Tungsten Borides, Their Stability and Outstanding Mechanical Properties
Alexander G. Kvashnin
1, 2
,
Hayk A Zakaryan
3
,
Changming Zhao
4
,
Yifeng Duan
4
,
Yulia A Kvashnina
1, 2
,
Congwei Xie
1, 5
,
Huafeng Dong
6
,
A. R. Oganov
1, 2, 5
Publication type: Journal Article
Publication date: 2018-06-02
scimago Q1
wos Q1
SJR: 1.394
CiteScore: 8.7
Impact factor: 4.6
ISSN: 19487185
PubMed ID:
29860838
Physical and Theoretical Chemistry
General Materials Science
Abstract
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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Total citations:
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Citations from 2025:
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(19.75%)
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GOST
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Kvashnin A. G. et al. New Tungsten Borides, Their Stability and Outstanding Mechanical Properties // Journal of Physical Chemistry Letters. 2018. Vol. 9. No. 12. pp. 3470-3477.
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Kvashnin A. G., Zakaryan H. A., Zhao C., Duan Y., Kvashnina Y. A., Xie C., Dong H., Oganov A. R. New Tungsten Borides, Their Stability and Outstanding Mechanical Properties // Journal of Physical Chemistry Letters. 2018. Vol. 9. No. 12. pp. 3470-3477.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/acs.jpclett.8b01262
UR - https://doi.org/10.1021/acs.jpclett.8b01262
TI - New Tungsten Borides, Their Stability and Outstanding Mechanical Properties
T2 - Journal of Physical Chemistry Letters
AU - Kvashnin, Alexander G.
AU - Zakaryan, Hayk A
AU - Zhao, Changming
AU - Duan, Yifeng
AU - Kvashnina, Yulia A
AU - Xie, Congwei
AU - Dong, Huafeng
AU - Oganov, A. R.
PY - 2018
DA - 2018/06/02
PB - American Chemical Society (ACS)
SP - 3470-3477
IS - 12
VL - 9
PMID - 29860838
SN - 1948-7185
ER -
Cite this
BibTex (up to 50 authors)
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@article{2018_Kvashnin,
author = {Alexander G. Kvashnin and Hayk A Zakaryan and Changming Zhao and Yifeng Duan and Yulia A Kvashnina and Congwei Xie and Huafeng Dong and A. R. Oganov},
title = {New Tungsten Borides, Their Stability and Outstanding Mechanical Properties},
journal = {Journal of Physical Chemistry Letters},
year = {2018},
volume = {9},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/acs.jpclett.8b01262},
number = {12},
pages = {3470--3477},
doi = {10.1021/acs.jpclett.8b01262}
}
Cite this
MLA
Copy
Kvashnin, Alexander G., et al. “New Tungsten Borides, Their Stability and Outstanding Mechanical Properties.” Journal of Physical Chemistry Letters, vol. 9, no. 12, Jun. 2018, pp. 3470-3477. https://doi.org/10.1021/acs.jpclett.8b01262.