Abstract
A modified embedded atom method (MEAM) interatomic potential for the Ti–N system has been developed using previous MEAM potentials of Ti and N. The materials parameters, such as the cohesive energy, equilibrium atomic volume, and bulk modulus, were used to determine the MEAM parameters. The MEAM potential was used to calculate the surface energy of TiN. The lattice parameters, the bulk modulus, and the enthalpy of formation of Ti2N were also calculated. It was found that the potential gives a good agreement with experimental data or first-principles calculations. The surface energy and the formation energy of one nitrogen vacancy of Ti2N were predicted using the potential.
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