Simulations of Tribology at Carbon/Metal Interfaces

摘要

The goal of the project Is to gain increased understanding of the atomic-scalechemical interactions responsible for macroscopic friction and wear when two surfaces are brought into sliding contact with each other. Such insight is crucial to the development of improved solid-state lubricants. The approach is molecular simulations to provide detailed information about the tribochemistry that occurs when films of carbon solid lubricants are placed between metals surfaces in sliding contact. To facilitate realistic interactions between the carbon and metal atoms, a combined many body carbon metal potential has been constructed that allows for the characterize systems composed of thousands of carbon and metal atoms on a standard workstation. Testing of the potential has yielded very promising results with some room for improvement.