New Tungsten Borides, Their Stability and Outstanding Mechanical Properties
Тип публикации: Journal Article
Дата публикации: 2018-06-02
scimago Q1
wos Q1
БС1
SJR: 1.394
CiteScore: 8.7
Impact factor: 4.6
ISSN: 19487185
PubMed ID:
29860838
Physical and Theoretical Chemistry
General Materials Science
Краткое описание
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 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.
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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 -
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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}
}
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MLA
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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.