In silico monitoring of non-reactive gas blistering on crystalline substrates

Abstract

Blistering from gas aggregation occurs very rarely on solid substrates; however, it is commonly observed under high-pressure gas or plasma environments. This is due to the repeated aggregation process of gas molecules penetrating beneath the surface, but it has been difficult to find cases that demonstrate the dynamic mechanism on the atomic level. In this study, the dynamics of physical bombardment of argon atoms on the flat monocrystalline silicon substrate are simulated to propose an initiation principle for gas-aggregate formation. Simulations of extremely large numbers of argon atoms bombarding a limited area of single crystal silicon revealed inhomogeneous aggregation properties consistent with the experimental observations. Particularly, the results suggest that momentum transfer formed by collisions between argon trapped in the surface grooves and the argon used for bombardment is the governing factor for the aggregation behavior. The aggregated argon clusters grow in the in-plane direction while generating stress propagation in the thickness direction, ultimately causing an expansion pressure that lifts the adjacent silicon surface upwards. Our work provides a deterministic understanding of the initiation process of blister formation, which rarely occurs in physical sputtering on defect-free substrates.