Prediction of fracture evolution in the TiN/Al thin films based on a full-field modelling approach

The classical approach to fracture simulation in a thin film for bioengineering applications neglects the under-lying complex morphology of the deposited layer, leading to inaccurate numerical predictions. That may carry high risks during product development and its further exploitation, especially in biomedical applications. Therefore, here, we demonstrate the new approach to numerical investigation of the fracture evolution in pulsed laser-deposited (PLD) titanium nitride (TiN) thin films under loading conditions based on the full-field model of layer columnar morphology. We use the TiN film deposited on the aluminium (Al) substrate as a case study. Based on the nanoindentation test, we first determine the flow stress characteristics of the Al substrate and TiN/ Al structure. An inverse analysis technique allowed us to precisely recalculate measured load-displacement values into the required stress-strain curve. Then, we developed a full-field model based on the digital material representation (DMR) concept for further investigation. The DMR was generated to replicate major morpho-logical features of the deposited thin film identified under transmission electron microscop (TEM). Finally, we incorporated the TiN/Al full-field model into the finite element analysis with a cohesive zone approach for local analysis of fracture behaviour. Inverse analysis based on the developed direct model and experimental mea-surements allowed us to identify the parameters of the fracture model. As a result, we proved that the full-field model based on the digital material representation concept could be used for reliable predictions of local fracture development along the morphological features of the deposited thin film.

Automated summary

This study presents a new approach to numerically investigate the fracture evolution in pulsed laser-deposited titanium nitride thin films under loading conditions, and demonstrates that the full-field model based on the digital material representation concept can reliably predict local fracture behavior.