Microelectronics packaging materials: Investigating the influence of moisture by molecular dynamics simulations

The investigation of the mechanisms of delamination or fracture between the interfaces of different materials is a challenging yet necessary task in microelectronic packaging. A lot of the failure modes that are detected in highly integrated System in Package (SiP) devices originate directly or indirectly in the failure of adhesive strength thus causing loss of performance or function. For a comprehensive reliability assessment of microelectronic components, the development of a physical understanding of the failure mechanisms is necessary (""physics of failure"" approach). The involved processes are complex in nature and therefore all scales involved need to be taken into account, that is, phenomena at system level and the level of surface finish (macro- and microscale), as well as phenomena on molecular and even atomic level (meso- and nanoscale) need to be investigated. In a series of three publications, on which this chapter is based, the influence of water molecules on properties of the epoxy resin and its interface to an oxidized silicon chip surface was investigated using molecular dynamics as well as finite element simulations and experimental analysis. In the following, the main aspects of the above stated papers are compiled. The procedures with respect to modeling setup, crosslinking, equilibration, and boundary conditions can be found in more detail in earlier publications.