A growing scientific effort is being devoted to the study of nanoscale interface aspects such as thin-film adhesion, abrasive wear and nanofriction at surfaces by using the nanoscratching technique but there remain immense challenges. In this paper, a three-dimensional (3D) model is suggested for the molecular dynamics (MD) simulation and experimental verification of nanoscratching initiated from nano-indentation, carried out using atomic force microscope (AFM) indenters on Al-film/Si-substrate systems. Hybrid potentials such as Morse and Tersoff, and embedded atom methods (EAM) are taken into account together for the first time in this MD simulation (for three scratching conditions: e.g. orientation, depth and speed, and the relationship between forces and related parameters) in order to determine the mechanisms of nanoscratching phenomena. Salient features such as nanoscratching velocity, direction and depth - as well as indenter shape- and size-dependent functions such as scratch hardness, wear and coefficient of friction - are also examined. A remarkable conclusion is that the coefficient of friction clearly depends upon the tool rake-angle and therefore increases sharply for a large negative angle.