First-principle study on the effects of hydrogen in combination with alloy solutes on local mechanical properties of steels
Cheng Wang, Lin Cheng, Sun Xu, Xian Zhang, Jing Liu, Kaiming Wu
Topics & Concepts
HydrogenAlloyMaterials scienceBulk modulusShear modulusDensity functional theoryModulusFirst principleHydrogen storageCharge densityElastic modulusThermodynamicsMetallurgyChemical physicsComposite materialComputational chemistryChemistryPhysicsQuantum mechanicsOrganic chemistryHydrogen embrittlement and corrosion behaviors in metalsNuclear Materials and PropertiesCorrosion Behavior and Inhibition