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Extreme Metastabili...
Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon
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- Nguyen-Cong, Kien (author)
- Department of Physics, University of South Florida, Tampa, 33620, FL, United States
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- Willman, Jonathan T. (author)
- Department of Physics, University of South Florida, Tampa, 33620, FL, United States
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- Gonzalez, Joseph M. (author)
- Department of Physics, University of South Florida, Tampa, 33620, FL, United States
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- Williams, Ashley S. (author)
- Department of Physics, University of South Florida, Tampa, 33620, FL, United States
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- Belonoshko, Anatoly (author)
- KTH,Kondenserade materiens teori
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- Moore, Stan G. (author)
- Sandia National Laboratories, Albuquerque, 87185, NM, United States
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- Thompson, Aidan P. (author)
- Sandia National Laboratories, Albuquerque, 87185, NM, United States
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- Wood, Mitchell A. (author)
- Sandia National Laboratories, Albuquerque, 87185, NM, United States
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- Eggert, Jon H. (author)
- Lawrence Livermore National Laboratory, Livermore, 94550, CA, United States
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- Millot, Marius (author)
- Lawrence Livermore National Laboratory, Livermore, 94550, CA, United States
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- Zepeda-Ruiz, Luis A. (author)
- Lawrence Livermore National Laboratory, Livermore, 94550, CA, United States
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- Oleynik, Ivan I. (author)
- Department of Physics, University of South Florida, Tampa, 33620, FL, United States
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(creator_code:org_t)
- American Chemical Society (ACS), 2024
- 2024
- English.
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In: The Journal of Physical Chemistry Letters. - : American Chemical Society (ACS). - 1948-7185. ; 15:4, s. 1152-1160
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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- art (subject category)
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Nguyen-Cong, Kie ...
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Willman, Jonatha ...
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Gonzalez, Joseph ...
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Williams, Ashley ...
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Belonoshko, Anat ...
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Moore, Stan G.
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Thompson, Aidan ...
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Wood, Mitchell A ...
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Eggert, Jon H.
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Millot, Marius
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Zepeda-Ruiz, Lui ...
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Oleynik, Ivan I.
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Inorganic Chemis ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
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The Journal of P ...
- By the university
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Royal Institute of Technology