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Local structure of liquid carbon controls diamond nucleation
L M Ghiringhelli1, C Valeriani, E J Meijer
1van't Hoff Institute for Molecular Sciences, Universiteit van Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, The Netherlands.
Physical Review Letters
|October 13, 2007
Summary
Diamond nucleation from melt is difficult to measure. Numerical simulations reveal that increasing pressure significantly boosts diamond nucleation rates by altering liquid structure, impacting its relevance in astrophysics.
Area of Science:
- Materials Science
- Computational Chemistry
- Planetary Science
Background:
- Diamond formation and stability are crucial in geological and astrophysical contexts.
- Experimental measurement of diamond nucleation from melt is challenging due to extreme temperature and pressure conditions.
Purpose of the Study:
- To estimate the diamond nucleation rate from the melt using numerical simulations.
- To understand the influence of pressure on diamond nucleation kinetics.
- To explore the implications for diamond formation in celestial bodies.
Main Methods:
- Utilized numerical simulations to model diamond nucleation from a carbon-rich melt.
- Analyzed the effect of varying pressure on the liquid's local coordination and interface free energy.
- Calculated the diamond nucleation rate under different pressure conditions.
Main Results:
- Diamond nucleation rate increases by orders of magnitude with increasing pressure at constant supersaturation.
- Increased pressure shifts the liquid's local coordination from threefold to fourfold.
- A fourfold coordinated liquid exhibits a lower free-energy cost for diamond-liquid interface formation compared to a threefold liquid.
Conclusions:
- The pressure-induced change in liquid coordination is a key factor controlling homogeneous diamond nucleation.
- This mechanism may be relevant for crystallization processes in various network-forming liquids.
- Homogeneous diamond nucleation is likely in carbon-rich stars but improbable in gaseous planets.
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