Effects of parameters on titanium nitride formation at atomic level

The effects of parameters on nanoscale titanium nitride during the formation process in ferrite were studied via the molecular dynamics (MD) simulation. The formation of titanium nitride was executed by employing a dislocation-motivated formation model in which the atomic diffusion has a significant contribution. The roles of N/Ti atom ratio, temperature and matrix defect were identified and the according nitride formation property was analyzed.