Modeling of Microstructural Evolution within TSVs Using Atomistic Simulations

This study investigates the microstructural evolution and void behavior in polycrystalline copper Through- Silicon Vias (TSVs) under cyclic mechanical loading using atomistic simulations. A polycrystalline copper model was constructed with voids located at key microstructural features: a triple junction, grain interior, and near a grain boundary. The evolution of voids and grain structures was analyzed over six loading cycles. Results show that voids at triple junctions undergo significant changes and eventually disappear due to the accumulation of dislocation activity and localized deformation. In contrast, voids in the grain interior remain largely unchanged, while voids near grain boundaries exhibit slight migration toward the boundaries. Grain boundary migration was also observed, leading to noticeable changes in grain size, particularly for smaller grains, during cyclic loading. These findings provide critical insights into the atomic-scale mechanisms governing void evolution and microstructural changes in TSVs, contributing to a better understanding of failure mechanisms and the reliability of copper-based TSVs in electronic packaging applications.

Recommended citation: S. Yang, J. Lu. "Modeling of Microstructural Evolution within TSVs Using Atomistic Simulations. " IEEE Intersociety Conference on Thermal and Thermomechanical Phenomena in Electronic Systems (ITherm). 2025.