Published online by Cambridge University Press: 05 May 2011
Numerical simulations based on molecular statics are carried out to study nano-scale plastic deformation behavior in thin metal films. Particular attention is devoted to correlating the overall mechanical response and the underlying crystal defect mechanisms during mechanical loading. The simulations are within the two-dimensional framework involving pair molecular interactions in singlecrystal materials. Special modeling features are utilized for studying the formation of dislocations, interface characteristics, and defect interactions. Specific problems investigated in this work include: plastic deformation and tensile fracture in a free-standing film, interface-constrained plasticity in substrate-bonded films, and homogeneous nucleation of dislocations during nanoindentation.