Ab-Initio Study of Amorphous and Liquid Carbon

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Atomistic Simulation of Materials

Abstract

The bonded forms of carbon in solid and liquid states have considerable variations with many characteristics which make them interesting for a wide range of researchers1–4. Nevertheless, outstanding questions concerning the properties of both non-crystalline and liquid carbon are yet unanswered; in particular, knowledge of the structural and electronic properties of the low density disordered phases, the nature of the liquid state and the melting mechanism — despite systematic investigations4 of the carbon phase diagram carried out in different fields, such as condensed matter physics1, astrophysics2 and geology3.

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Galli, G., Martin, R.M., Car, R., Parrinello, M. (1989). Ab-Initio Study of Amorphous and Liquid Carbon. In: Vitek, V., Srolovitz, D.J. (eds) Atomistic Simulation of Materials. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5703-2_17

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  • DOI: https://doi.org/10.1007/978-1-4684-5703-2_17

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-5705-6

  • Online ISBN: 978-1-4684-5703-2

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