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| Autori principali: | , , , , , , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| Soggetti: | |
| Accesso online: | https://arxiv.org/abs/2401.08884 |
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| _version_ | 1866929219317006336 |
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| author | Nguyen-Cong, Kien Willman, Jonathan T. Gonzalez, Joseph M. Williams, Ashley S. Belonoshko, Anatoly B. Moore, Stan G. Thompson, Aidan P. Wood, Mitchell A. Eggert, Jon H. Millot, Marius Zepeda-Ruiz, Luis A. Oleynik, Ivan I. |
| author_facet | Nguyen-Cong, Kien Willman, Jonathan T. Gonzalez, Joseph M. Williams, Ashley S. Belonoshko, Anatoly B. Moore, Stan G. Thompson, Aidan P. Wood, Mitchell A. Eggert, Jon H. Millot, Marius Zepeda-Ruiz, Luis A. Oleynik, Ivan I. |
| contents | 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, multi-million 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 pre-melting followed by BC8 nucleation and growth in the metastable carbon liquid. We propose a double-shock compression pathway to achieve BC8 synthesis, which is currently being explored in theory-inspired experiments at the National Ignition Facility. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_08884 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Extreme Metastability of Diamond and its Transformation to BC8 Post-Diamond Phase of Carbon Nguyen-Cong, Kien Willman, Jonathan T. Gonzalez, Joseph M. Williams, Ashley S. Belonoshko, Anatoly B. Moore, Stan G. Thompson, Aidan P. Wood, Mitchell A. Eggert, Jon H. Millot, Marius Zepeda-Ruiz, Luis A. Oleynik, Ivan I. Materials Science 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, multi-million 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 pre-melting followed by BC8 nucleation and growth in the metastable carbon liquid. We propose a double-shock compression pathway to achieve BC8 synthesis, which is currently being explored in theory-inspired experiments at the National Ignition Facility. |
| title | Extreme Metastability of Diamond and its Transformation to BC8 Post-Diamond Phase of Carbon |
| topic | Materials Science |
| url | https://arxiv.org/abs/2401.08884 |