The dataset for the mechanical parameters of the ultraviolet adhesive polymer-inorganic interfaces

We perform molecular dynamics (MD) simulation with full-atom representation to investigate the mechanical properties of interfaces between polymers, including seven ultraviolet (UV) adhesive polymers and other common polymers, and inorganic substrates (Si, SiO₂, ZrO₂). The interfacial mechanical parameters such as strength and energy release rate in the cohesive zone models (CZMs) are calculated from the MD simulations. The typical traction separation and shear deformation are applied to the polymer-inorganic interface. Different interfacial crosslink densities of the polymer-inorganic interfaces are also considered. The dataset provided here can be used as the input for failure prediction and design optimization by the finite element analysis (FEA), for example, layered polymer-inorganic composites used in electronic device packages.