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Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon.
- Source :
-
The journal of physical chemistry letters [J Phys Chem Lett] 2024 Feb 01; Vol. 15 (4), pp. 1152-1160. Date of Electronic Publication: 2024 Jan 25. - Publication Year :
- 2024
-
Abstract
- Diamond possesses exceptional physical properties due to its remarkably strong carbon-carbon bonding, leading to significant resilience to structural transformations at very high pressures and temperatures. Despite several experimental attempts, synthesis and recovery of the theoretically predicted post-diamond BC8 phase remains elusive. Through quantum-accurate multimillion atom molecular dynamics (MD) simulations, we have uncovered the extreme metastability of diamond at very high pressures, significantly exceeding its range of thermodynamic stability. We predict the post-diamond BC8 phase to be experimentally accessible only within a narrow high pressure-temperature region of the carbon phase diagram. The diamond to BC8 transformation proceeds through premelting followed by BC8 nucleation and growth in the metastable carbon liquid. We propose a double-shock compression pathway for BC8 synthesis, which is currently being explored in experiments at the National Ignition Facility.
Details
- Language :
- English
- ISSN :
- 1948-7185
- Volume :
- 15
- Issue :
- 4
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry letters
- Publication Type :
- Academic Journal
- Accession number :
- 38269426
- Full Text :
- https://doi.org/10.1021/acs.jpclett.3c03044