2 papers
cond-mat.mtrl-sci2025
From diamond to BC8 to simple cubic and back: kinetic pathways to post-diamond carbon phases from metadynamics
Roman Martoňák, Sergey Galitskiy, Azat Tipeev +2
The experimental observation of elusive post-diamond carbon phases at extreme pressures remains a major challenge in high-pressure science. Using metadynamics with coordination-num…
cond-mat.mtrl-sci2024
Extreme Metastability of Diamond and its Transformation to BC8 Post-Diamond Phase of Carbon
Kien Nguyen-Cong, Jonathan T. Willman, Joseph M. Gonzalez +9
Diamond possesses exceptional physical properties due to its remarkably strong carbon-carbon bonding, leading to significant resilience to structural transformations at very high p…