Atomistic Simulations of Dislocation-Interface Interactions in Thin Films

摘要

Atomistic simulations are carried out to study the effect of atomic sliding capability at the interface between a plastically deforming film and a stiff substrate. Molecular statics modeling is utilized to corroborate the overall film response and the nano-scale defect mechanisms. A free-sliding interface is shown to be able to cause "reflection" of oncoming dislocations and enhance film plasticity. A rigidly bonded interface, on the other hand, is seen to resist approaching dislocations. Partial sliding results in a transitional behavior between the two extremes, as revealed in our parametric analysis. The sliding capability of interface atoms is also seen to dictate the overall film response.