Temperature-induced commensurate-incommensurate transition of submonolayer krypton on graphite

The thermal expansion of submonolayer krypton on graphite is investigated using molecular-dynamics computer simulations. With increasing temperature a pronounced incommensurate-to-commensurate transition is found for parameter values corresponding to Steeles interatomic potential. The results indicate that this transition might be of first order. © 1986 The American Physical Society.