Prediction of new MAX phase Zr2MSiC2 (M = Ti, V) compounds as a promising candidate for future engineering: DFT calculations
Debidatta Behera, Aparna Dixit, Ahmed Azzouz‐Rached, Ali Bentouaf, Md. Ferdous Rahman, Hind Albalawi, Abdessalem Bouhenna, El Sayed Yousef, Ramesh Sharma
Topics & Concepts
Debye modelMaterials scienceDensity functional theoryWIEN2kThermodynamicsVickers hardness testPhase (matter)Thermal conductivityIonic bondingThermal expansionBrittlenessComputational chemistryChemistryLocal-density approximationComposite materialOrganic chemistryIonPhysicsMicrostructureMXene and MAX Phase MaterialsAluminum Alloys Composites PropertiesBoron and Carbon Nanomaterials Research