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Effects of pressure and temperature on sp3 fraction in diamondlike carbon materials

Published online by Cambridge University Press:  31 January 2011

Zhanrong Zhong ,
Xinwei Wang  and
Xuhui Feng
Zhanrong Zhong
Affiliation:
Department of Mechanical Engineering, The University of Nebraska–Lincoln, Lincoln, Nebraska 68588-0656; and Shenzhen Institute of Advanced Integration Technology, Chinese Academy of Sciences/The Chinese University of Hong Kong, People’s Republic of China
Xinwei Wang*
Affiliation:
Department of Mechanical Engineering, The University of Nebraska–Lincoln, Lincoln, Nebraska 68588-0656
Xuhui Feng
Affiliation:
Department of Mechanical Engineering, The University of Nebraska–Lincoln, Lincoln, Nebraska 68588-0656
*
a)Address all correspondence to this author. e-mail: xwang3@unl.edu
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Abstract

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 (sp3 bonds) is calculated. It is found that the sp3 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 sp3 fraction tends to be constant.

Keywords

DiamondSimulationStructural

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Type
Articles
Information
Journal of Materials Research , Volume 22 , Issue 10 , October 2007 , pp. 2770 - 2775
Copyright
Copyright © Materials Research Society 2007

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References

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