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Structural stability, elasticity, thermodynamics, and electronic structures of L12-type Ni3X (X = Al, Ti, V, Nb) phases under external pressure condition

Yuanhang Wu, Jieshi Chen, Junyi Ji, Y. Z. Zhang, Q. Z. Wang, Kai Xiong

2022Journal of Molecular Modeling13 citationsDOI

Topics & Concepts

ThermodynamicsBulk modulusDebye modelEnthalpyShear modulusMaterials scienceLattice constantElectronic structureElastic modulusChemistryComputational chemistryPhysicsDiffractionOpticsIntermetallics and Advanced Alloy PropertiesMXene and MAX Phase MaterialsMetal and Thin Film Mechanics
Structural stability, elasticity, thermodynamics, and electronic structures of L12-type Ni3X (X = Al, Ti, V, Nb) phases under external pressure condition | Litcius