Liquid carbon: Freezing line and structure near freezing
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| Publication date | 2010 |
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| Book title | Computer-based modeling of novel carbon systems and their properties: beyond nanotubes |
| ISBN |
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| Series | Carbon materials. Chemistry and physics, 3 |
| Pages (from-to) | 1-36 |
| Publisher | Dordrecht: Springer |
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| Abstract |
This chapter deals with the phase diagram of carbon with emphasis on the liquid phase occurring in extreme conditions of temperature and pressure. After presenting a critical review of the experimental results and still unresolved issues, the authors discuss the possibility of modeling carbon by use of empirical potentials. Also the techniques to evaluate numerically the free energy of each phase are presented in detail. The second part of the chapter discusses in detail the structure of the liquid in different ranges of pressure, the pressure-density equations of state at different temperatures and the possibility of a liquid-liquid phase transition.
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| Document type | Chapter |
| Language | English |
| Published at | https://doi.org/10.1007/978-1-4020-9718-8_1 |
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