Atomic-Scale Investigation of the Ti/Al(001) Interface: A Molecular Dynamics Simulation

Abstract

The intermixing characteristics of Ti thin film deposited on Al(001) substrate at atomic level were investigated by molecular dynamics simulation. The intermixing at Ti/Al(001) interface was limited within only the topmost layer of the Al( 001) substrate at 300 K with 0.1 eV incident energy of a Ti atom. The mixing characteristics for Ti/Al( 001) such as layer coverage function and mixing length were significantly different from those of the transition metals (TM; Fe, Co, and Ni)/Al(001) systems. The different intermixing behavior can be explained in terms of local acceleration and incorporation energy barrier.