Structure and dynamics of surface crystallization of liquidn-alkanes

Formation of a crystalline monolayer at the surface of an absorbed liquid n-heptadecane film above the bulk solidification temperature, with the molecules in the layer hexagonally packed and their axes tilted by {~}25^∘{} from the surface normal, is found using molecular-dynamics simulations, corroborating recent observations. A crystallized adsorbed thin film ({~}40 {}) of hexadecane is found to consist of four layers of molecules oriented parallel to the substrate and a topmost hexagonally packed layer with molecules oriented toward the normal.