In the scientific report “Metastability and Ostwald step rule in the crystallisation of diamond and graphite from molten carbon” published in Nature Communications, researchers from George Washington University and the University of California, Davis, shed light on the crystallisation kinetics of diamond and graphite, which is critical for melting and recrystallisation experiments. From GW Engineering’s Department of Civil and Environmental Engineering, Professor Tianshu Li, doctoral student Wanyu Zho, and Research Scientist Shunda Chen contributed to the study.
Here is and excerpt from the study abstract: “Here, we reveal the microscopic mechanisms of diamond and graphite nucleation from liquid carbon through molecular simulations with first-principles machine learning potentials. Our simulations accurately reproduce the experimental phase diagram of carbon near the triple point and show that liquid carbon crystallises spontaneously upon cooling.
Read the full study in the journal Nature Communications. For a summary of the study's most significant findings, check out this UC Davis article, "Molecular Simulations Show Graphite 'Hijakcs' Diamond Formation Through Unexpected Crystallization Pathways."