ECCOMAS 2024

Numerical Simulation and Characterization of Crack Growth in TiN Thin Films Deposited by Pulsed Laser Deposition: a Cohesive Elements and XFEM Case Study

  • Perzynski, Konrad (AGH University of Krakow)
  • Cios, Grzegorz (AGH University of Krakow)
  • Bała, Piotr (AGH University of Krakow)
  • Madej, Lukasz (AGH University of Krakow)

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Titanium nitride (TiN) thin films are widely used materials for products with a high degree of biocompatibility and high strength resistance at the same time (e.g., implants). Therefore, TiN films are widely used in implantology, from knee joint replacements to pump valves supporting the human heart [1]. However, electron and scanning electron microscopy analysis revealed the frequent occurrence of a complex columnar nanostructure in these materials resulting from the specific nature of the PLD (Pulsed Laser Deposition) deposition [2] process. The morphology of such nanostructure is one of the main reasons for uncontrolled delamination and fracture observed in thin films under loading conditions. Accurately analyzing the problem of thin film cracking requires a series of very sophisticated laboratory experiments, which is time-consuming and expensive. Therefore, this paper presents a new approach to the numerical analysis of crack evolution in TiN thin films deposited by PLD taking into account the morphology of the thin film in an explicit manner. The mechanical properties of the thin film and the substrate were determined with the nanoindentation tests conducted in laboratory conditions to provide flow stress models for numerical simulations. Then, the plugin for Abaqus software was implemented to generate a digital material representation model of the investigated thin film based on the microstructural characteristics. Finally, the crack propagation model was developed within the finite element method considering the cohesive type elements (CEs) and eXtended Finite Element Method (XFEM). The obtained numerical results were validated against a series of experimental data. The study proved that the model based on the concept of digital material representation [3] could be used for reliable predictions of local crack development in thin films deposited by the PLD method. [1] A. Ahmed, X. Wang, and M. Yang, Biocompatible materials of pulsatile and rotary blood pumps: A brief review, Reviews On Advanced Materials Science, 59; 1:322–339, 2020 [2] K. Perzynski, G. Cios, L. Madej, Prediction of fracture evolution in the TiN/Al thin films based on a full-field modelling approach, International Journal of Solids and Structures, 283:112473, 2023. [3] L. Madej, Digital material representation – new perspectives in numerical simulations of inhomogenous deformation, Computer Methods in Materials Science 10, 3:143–155, 2010.