Predicting the hydrogen pressure to achieve ultralow friction at diamond and diamondlike carbon surfaces from first principles

Hydrogen atmosphere can significantly change the tribological behavior at diamond and diamondlike carbon (DLC) surfaces and the friction-reducing effect depends on the partial pressure of hydrogen. We combined density functional theory modeling and thermodynamic quantities to predict the equilibrium partial pressures of hydrogen at temperature T, P-H2 (T), for a fully atomic hydrogen passivated diamond surface. Above the equilibrium P-H2 (T), ultralow friction can be achieved at diamond and DLC surfaces. The calculation agrees well with friction tests at various testing conditions. We also show that P-H2 (T) increases with temperature; therefore, the temperature effect observed in friction tests should first be treated as an equilibrium factor rather than a kinetic factor. (C) 2008 American Institute of Physics.