Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu
Vasileios Fotopoulos, Ricardo Grau‐Crespo, Alexander L. Shluger
Abstract
complexes have significantly lower formation energies than the isolated defects, the low molar fraction of H is predicted to have little impact on the rise in vacancy molar fraction for external hydrogen pressures below 100 bar. Only at relatively high hydrogen pressures exceeding 10 kbar in the presence of Cu vacancies, the H molar fraction was found to reach the same order of magnitude as the molar fraction of vacancies. These results put thermodynamic limits on the hydrogen-induced vacancy clustering and void formation in bulk Cu.
Topics & Concepts
Mole fractionHydrogenVacancy defectCopperMetalMolarChemistryThermodynamicsFraction (chemistry)Materials sciencePhysical chemistryCrystallographyOrganic chemistryPhysicsDentistryMedicineMicrostructure and mechanical propertiesFusion materials and technologiesCopper Interconnects and Reliability