Investigation of Crack Growth in Deposited and Perfect Titanium/Titanium Nitride Structure by Molecular Dynamic Simulation

Document Type : Research Article

Authors

1 Technical Engineering Department, Mechanical Engineering, Zanjan University, Zanjan, Iran

2 professor

Abstract

The crack propagation behavior in the deposited titanium/titanium nitride bilayer is compared with the perfect structure using the molecular dynamics method. For this purpose, titanium nitride was deposited on the titanium substrate, then crack growth was investigated in the two structures. The titanium nitride film growth on the titanium substrate was an island, and the structure has defects and residual stress. The results showed that both the biaxial and normal stresses in the substrate and film are tensile and compressive, respectively. The cohesive energy of the interface was calculated by energy difference along with the atomic layers. In the following, a crack was considered perpendicular to the titanium/titanium nitride interface in both models, with an initial length of 15 Å. Due to the brittle behavior of the ceramic layer, the crack propagates rapidly until interface. The plastic deformation of the titanium layer and the structure of the interface blunt the tip of the crack and prevent it to fail. Also, the critical stress for crack growth in a perfect structure is found to 2.5 times its value in the deposited structure because of defects and residual stress.

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References

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Amirkabir Journal of Mechanical Engineering
Volume 53, Issue 2
May 2021
Pages 833-850

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