Investigation of packaging adhesive properties by molecular dynamics and experiments

Adhesive polymer is a common and important material used for packaging of microelectronics and microsystem by attaching dies onto packaging shell, and its mechanical property plays a vital role in isolating dies from the thermal stress of substrate. Therefore, it is extremely significant to evaluate the polymer property in a specific packaging process. The molecular dynamics (MD) simulation is conducted in this article to investigate the material properties of the cross-linked epoxy resin formed by epoxy resin component diglycidyl ether bisphenol A (DGEBA) and curing agent 1,6-Diaminohexane. The polymer network with conversion up to 87.5% is successfully generated and simulated by constant pressure-constant temperature ensemble (NPT) and canonical ensemble (NVT) at different temperatures of curing process. Glass transition temperature (T-g) and Young's modulus are extracted and the predicted material properties are in great agreement with the experimental data. The conclusion provides a guideline to design the special curing process for different adhesive requirements.

Automated summary

This article conducts MD simulations to investigate the material properties of cross-linked epoxy resin. The predicted material properties are in great agreement with experimental data, providing guidance for designing special curing processes for different adhesive requirements.