Molecular Dynamics study of the traction-displacement relations of epoxy-copper interfaces

The traction-displacement relations of the epoxy-copper interfaces are studied using an atomistic model. The reaction force of the epoxy layer in response to displacement of the interface is calculated during molecular dynamics simulation. A parametric study in terms of displacement rate and the step size of displacement increment has been performed. The traction-displacement relations are found sensitive to the step size of the displacement increment. The traction-displacement relations are better described with a small displacement increment in the initial region where the epoxy-copper interface is in close contact. The interfacial energy as calculated by the traction-displacement model is -0.28 Jm^-2 which is comparable to the value obtained from a static model. This calculated value is also close to the thermodynamic work of adhesion (-0.26 Jm^-2) of an epoxy-copper system as reported in the literature.