Over the last decade there has been a growing interest in combining diamond and graphene to create carbon-carbon hybrids where both of these materials have excellent electronic properties such as high thermal conductivity and high mechanical strength. Diamond has been proved to be a good substrate for graphene as it has proved to increase the current-carrying capability of graphene-based devices. Our rapid thermal process which involves nickel (Ni) as metal catalyst for a direct growth of graphene on diamond is published in [1]. However, there are still many aspects of the carbon diffusion and precipitation mechanisms that remain unclear, particularly the role of Ni in controlling the formation of carbon structures. In this further research, we combine simulation and the experimental results to investigate carbon precipitation on metal nanostructures, particularly Ni, on diamond surfaces using molecular dynamics (MD). Simulations in parallel to the experimental processes could shed light on the formation of carbon layers as well as help to understand the mechanisms that govern carbon diffusion and precipitation. It could also aid in finding potential applications in advanced material science. This research will be conducted by Dr. Nattakarn Suntornwipat, Division of Electricity, Department of Electric Engineering, Uppsala University in collaboration with Chulalongkorn University, Thailand (Dr. Udomsilp Pinsook).