Mechanical properties of cubic boron nitride and diamond at dynamical pressure and temperature

We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular dynamics. Our study revealed a pronounced sensitivity of the mechanical properties of c-BN to applied pressure. Notably,...

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Veröffentlicht in:Applied physics letters 2023-12, Vol.123 (23)
Hauptverfasser: Kastuar, Srihari M., Liu, Zhong-Li, Najmaei, Sina, Ekuma, Chinedu E.
Format: Artikel
Sprache:eng
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Zusammenfassung:We report the mechanical properties of cubic boron nitride (c-BN) and diamond under the combined impact of dynamical pressure and temperature, calculated using ab initio molecular dynamics. Our study revealed a pronounced sensitivity of the mechanical properties of c-BN to applied pressure. Notably, c-BN undergoes a brittle-to-ductile transition at ∼220 GPa, consistent across various dynamical temperatures, while diamond exhibits no such transition. Furthermore, the Vickers hardness profile for c-BN closely mirrors that of diamond across a spectrum of temperature–pressure conditions, highlighting c-BN's significant mechanical robustness. These results underscore the superior resilience and adaptability of c-BN compared to diamond, suggesting its potential as an ideal candidate for applications in extreme environments.
ISSN:0003-6951
1077-3118
DOI:10.1063/5.0172885