Molecular dynamics study of a nano-particle joint for potential lead-free anisotropic conductive adhesives applications

Molecular dynamics (MD) simulation was performed to simulate the application of an anisotropic conductive adhesive (ACA). The dynamics of a copper sphere (radius 2 nm) between two copper substrates was investigated, using the embedded atom method (EAM). The structure evolution of the sphere was analyzed by x–z plane projection, pair-correlation function, and potential energy curve. x–z plane projection and potential energy curve showed that with applied strain the copper sphere went through an order–disorder–order type of phase transition. Pair-correlation function results showed a more ordered sphere structure with applied compressive strain as compared to the simulation without strain.