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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…
cond-mat.mtrl-sci2023
Dynamic Formation of Preferentially Lattice Oriented, Self Trapped Hydrogen Clusters
M. A. Cusentino, E. L. Sikorski, M. J. McCarthy +2
A series of MD and DFT simulations were performed to investigate hydrogen self-clustering and retention in tungsten. Using a newly develop machine learned interatomic potential, sp…