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Abstract
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In this work, the influence of nitrogen content on the crack propagation behavior in Iron-Nitrogen (Fe-N) nanocrystalline
was studied at high temperatures using molecular dynamics (MD). The semi-empirical Modified
Embedded Atom Method (MEAM) potential function was utilized to model the interatomic interactions. The
results revealed that at higher temperature of 900 K and 1100 K, more slip systems are activated resulting in the
crack tip blunting ahead of crack tip and void nucleation and growth. Moreover, the results showed that the
deformation mechanism and fracture behavior are significantly altered owing to the initial nitrogen concentration.
The simulated results indicated the slow crack propagation at low nitrogen content of 0.1 wt.%.
Detailed analysis confirmed that nitrogen concentration has a significant effect on the crack propagation. At high
nitrogen content (0.51 wt.%), the crack growth increased by changing the crack propagation path.
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