Using D. Brenner's REBO potential, D. Huang et al's proposed reaction sequence of epitaxial diamond growth, Sinnott et al's hydrogen abstraction, and adaptations of Ralph Merkle's proposed hydrocarbon assembly tools, I created an example of the mechanosynthesis of diamond with the NanoHive-1 Nanosystems Simulator (www.nanohive-1.org).
Very cool simulation. I am working on GaN HVPE. I would love to learn modeling do you have any advise on how to start.
labeljo 3 years ago