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High-throughput computing for hydrogen transport properties in ε-ZrH2

Hua Hou, Yue Pan, Guoning Bai, Yuexin Li, Vignesh Murugadoss, Yuhong Zhao

2022Advanced Composites and Hybrid Materials26 citationsDOI

Topics & Concepts

Tetragonal crystal systemHydrogenMaterials scienceDiffusionDensity functional theoryThermodynamicsActivation energyPhase (matter)Condensed matter physicsChemistryPhysical chemistryComputational chemistryPhysicsOrganic chemistryNuclear Materials and PropertiesFusion materials and technologiesIntermetallics and Advanced Alloy Properties
High-throughput computing for hydrogen transport properties in ε-ZrH2 | Litcius