Energetics and stability of nanostructured amorphous carbon
Copyright policy )Energetics and stability of nanostructured amorphous carbon
Monte Carlo simulations, supplemented by ab initio calculations, shed light into the energetics and thermodynamic stability of nanostructured amorphous carbon. The interaction of the embedded nanocrystals with the host amorphous matrix is shown to determine in a large degree the stability and the relative energy differences among carbon phases. Diamonds are stable structures in matrices with sp^3 fraction over 60%. Schwarzites are stable in low-coordinated networks. Other sp^2-bonded structures are metastable.
11 pages, 7 figures
- University of Crete Greece
- Cyprus University of Technology Cyprus
- Πανεπιστήμιο Κρήτης – Τμήμα Βιολογίας Greece
Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Carbon, Chemical structure, Energy transfer, ENGINEERING AND TECHNOLOGY, Thermodynamics, Engineering and Technology
Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Carbon, Chemical structure, Energy transfer, ENGINEERING AND TECHNOLOGY, Thermodynamics, Engineering and Technology
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