Ab initio investigation of the screw dislocation-hydrogen interaction in bcc tungsten and iron
Pedro P. P. O. Borges, Emmanuel Clouet, Lisa Ventelon
Topics & Concepts
Materials scienceAb initioHydrogenDislocationTungstenCrystallographyOctahedronInteraction energyAb initio quantum chemistry methodsInterstitial defectCrystallographic defectCubic crystal systemCondensed matter physicsCrystal structureChemistryPhysicsMetallurgyMoleculeDopingOrganic chemistryComposite materialOptoelectronicsHydrogen embrittlement and corrosion behaviors in metalsFusion materials and technologiesNuclear Materials and Properties