Establishment of the coarse grained parameters for epoxy-copper interfacial separation

摘要: Atomistic coarse grained parameters were calculated from a non-equilibrium molecular dynamics simulation of the separation an epoxy-copper interface. The methodology to determine interaction energy and equilibrium distance between interfacial materials at minimum is established. traction-displacement relations under influence time taken for atomic interaction, displacement step, size have been studied. study illustrates that control step in models important ensure proper simulation. result shows close matching with thermodynamics work adhesion. An analytical scheme discussed. proposed contributes interpretation adhesion beyond continuum framework.