Effects of pressure and temperature on sp 3 fraction in diamondlike carbon materials

Effects of pressure and temperature on sp 3 fraction in diamondlike carbon materials

In this work, formation of diamond coating is studied using large-scale molecular dynamics (MD) simulation. The diamond coating is studied to explore how and to what extent the temperature and pressure affects the deposition structure. To analyze the coating results, the radial distribution function...

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Veröffentlicht in:Journal of materials research 2007-10, Vol.22 (10), p.2770-2775
Hauptverfasser: Zhong, Zhanrong, Wang, Xinwei, Feng, Xuhui
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Wang, Xinwei
Feng, Xuhui
description In this work, formation of diamond coating is studied using large-scale molecular dynamics (MD) simulation. The diamond coating is studied to explore how and to what extent the temperature and pressure affects the deposition structure. To analyze the coating results, the radial distribution function and the fraction of diamond (sp 3 bonds) is calculated. It is found that the sp 3 fraction in the deposition structure increases with the temperature and pressure. When the pressure becomes large enough (10 GPa), the effect of the pressure on the coating structure is quite small and the sp 3 fraction tends to be constant.
doi_str_mv 10.1557/JMR.2007.0344
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title Effects of pressure and temperature on sp 3 fraction in diamondlike carbon materials
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