Ab initio calculations on the Mg/TiN heterogeneous nucleation interface
Tianxing Yang, Mingzhi Wei, Zongye Ding, Xiujun Han, Jianguo Li
Topics & Concepts
TinStackingNucleationMaterials scienceIonic bondingSurface energyCrystallographyDensity functional theoryAb initioAb initio quantum chemistry methodsCovalent bondRelaxation (psychology)Computational chemistryChemistryMoleculeIonComposite materialThermodynamicsMetallurgyPhysicsSocial psychologyPsychologyOrganic chemistryMagnesium Alloys: Properties and ApplicationsMetal and Thin Film MechanicsMXene and MAX Phase Materials