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Compositional effects on stacking fault energies in Ni-based alloys using first-principles and atomistic simulations

Liubin Xu, Luis Casillas‐Trujillo, Yanfei Gao, Haixuan Xu

2021Computational Materials Science25 citationsDOI

Topics & Concepts

Stacking-fault energyCrystal twinningMaterials scienceStacking faultDensity functional theoryInteratomic potentialTernary operationMolecular dynamicsThermodynamicsAlloyCondensed matter physicsDislocationComputational chemistryChemistryMetallurgyMicrostructurePhysicsProgramming languageComposite materialComputer scienceHigh Entropy Alloys StudiesHigh-Temperature Coating BehaviorsAdditive Manufacturing Materials and Processes
Compositional effects on stacking fault energies in Ni-based alloys using first-principles and atomistic simulations | Litcius