Influence of nitrogen interstitials in α-titanium and nitrogen vacancies in δ-titanium nitride on lattice parameters and bulk modulus - computational study
M. Lebeda, Petr Vlčák, Jan Drahokoupil
Topics & Concepts
Materials scienceBulk modulusTinDensity functional theoryMolecular dynamicsTitaniumNitrideModulusLattice constantLattice (music)Interatomic potentialTitanium nitrideIonThermodynamicsChemical physicsComputational chemistryNanotechnologyMetallurgyChemistryDiffractionComposite materialPhysicsOpticsAcousticsOrganic chemistryLayer (electronics)Metal and Thin Film MechanicsTitanium Alloys Microstructure and PropertiesMXene and MAX Phase Materials