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Ab initio calculations on the Mg/TiN heterogeneous nucleation interface

Tianxing Yang, Mingzhi Wei, Zongye Ding, Xiujun Han, Jianguo Li

2020Journal of Physics and Chemistry of Solids16 citationsDOI

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
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