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

Zhanrong Zhong, Xinwei Wang, Xuhui Feng
2007 Journal of Materials Research  
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
more » ... ugh (10 GPa), the effect of the pressure on the coating structure is quite small and the sp 3 fraction tends to be constant.
doi:10.1557/jmr.2007.0344 fatcat:va4fz4myp5gzvdfgv7tjb45z6q