A moment tensor potential trained on DFT data predicts Ti-N formation energies with test RMSE 6.8 meV/atom and suggests intermediate Ti-N phases across the full composition range are thermodynamically stable.
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Prediction of Mechanical Properties and Thermodynamic Stability of Ti-N system using MTP Interatomic Potential
A moment tensor potential trained on DFT data predicts Ti-N formation energies with test RMSE 6.8 meV/atom and suggests intermediate Ti-N phases across the full composition range are thermodynamically stable.