An efficient scheme for accelerating the calculation of stacking fault energy in multi-principal element alloys
Haoran Sun, Zhigang Ding, Hao Sun, Junjun Zhou, Ji‐Chang Ren, Qing‐Miao Hu, Wei Liu
Topics & Concepts
Density functional theoryMaterials scienceStacking faultStackingSupercellValence (chemistry)Stacking-fault energyScheme (mathematics)Principal component analysisComputer scienceComputational chemistryPhysicsMetallurgyMathematicsChemistryQuantum mechanicsArtificial intelligenceRadarNuclear magnetic resonanceMathematical analysisTelecommunicationsMicrostructureHigh Entropy Alloys StudiesAdvanced Materials Characterization TechniquesHigh-Temperature Coating Behaviors