Investigation of interface structure of Ti/TiN and Cr/CrN nanolayered coatings
Paper ID : 1039-ICNS
Parvin Gholizade *1, Hassan Amini2, Esmaeil Poursaeidi2
1Department of Mechanical Engineering, Zanjan University, Zanjan, Iran
2Department of Mechanical Engineering, University of Zanjan, Zanjan, Iran
Molecular dynamics (MD) simulations were performed to characterized the interface of Ti/TiN and Cr/CrN nanolayer structure with the amount of mismatch 1.68 % and 1.7 %, respectively. The interface energy of both thin films structure was calculated in the x-z interfacial plane. This investigation has revealed that the Ti/TiN interface comprises three types of stacking, which the least energy according to the highest mismatch. Also, The Cr/CrN Interface has four regions due to the difference between Cr and CrN lattice constants in the interface. Under mechanical loading, more mismatch points in the interface cause slip transfer from one layer to another. The potential energy level of the Ti/TiN interface is higher than that of Cr/CrN, so slipping of the sliding systems at the Cr/CrN interface is easier to move from one layer to another. The maximum interfacial energy for the Ti/TiN and Cr/CrN is 5.704 eV and 3.686 eV, respectively.
Molecular dynamics simulation, Nanostructure, Ti/TiN, Cr/CrN, Interface
Status : Abstract Accepted (Poster Presentation)