한국윤활학회:학술대회논문집 (Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference)
- 한국윤활학회 2002년도 proceedings of the second asia international conference on tribology
- /
- Pages.59-60
- /
- 2002
The Atomic-Scale Investigation of Friction at Hydrocarbon Interfaces via Molecular Dynamics Simulations ASIATRIB 2002
초록
In this digest, we briefly review our current molecular dynamics (MD) simulations that utilize both the reactive empirical bond order potential (REBO) and the adaptive intermolecular REBO (AIREBO) potential energy functions. The AIREBO potential includes intermolecular interactions, so that self·assembled monolayers, and liquids, can be modeled. We have examined the mechanical and tribological properties of model self assembled monolayers and amorphous carbon films. Self-assembled monolayers are modeled by covalently bonding hydrocarbon chains to diamond substrates. Because the REBO potentials can model chemical reactions, specific compression and sliding induced chemical reactions were identified.
키워드