Mechanism for direct graphite-to-diamond phase transition
Scientific Reports2014Vol. 4(1), pp. 5930–5930
Citations Over TimeTop 16% of 2014 papers
Abstract
Using classical molecular dynamics with a more reliable reactive LCBOPII potential, we have performed a detailed study on the direct graphite-to-diamond phase transition. Our results reveal a new so-called "wave-like buckling and slipping" mechanism, which controls the transformation from hexagonal graphite to cubic diamond. Based on this mechanism, we have explained how polycrystalline cubic diamond is converted from hexagonal graphite, and demonstrated that the initial interlayer distance of compressed hexagonal graphite play a key role to determine the grain size of cubic diamond. These results can broaden our understanding of the high pressure graphite-to-diamond phase transition.
Related Papers
- → Effects of S on the synthesis of type Ib diamond under high pressure and high temperature(2017)33 cited
- → Hydrogen-doped cubic diamond and the crystal structure of n-diamond(2011)15 cited
- → Hexagonal Diamond: Theoretical Study of Methods of Fabrication and Experimental Identification(2023)3 cited
- → Diamond Films and Their Tribological Performances(2013)2 cited
- Pseudomorphic stabilization of diamond on non-diamond substrates(1994)