Atomistic model of an oxide film in contact with a liquid metal coolant: Defects concentrations and chemical potentials of dissolved Fe–O
Nikita A. Fominykh, Vsevolod Nikolskiy, Vladimir Stegailov
Topics & Concepts
OxideCoolantWüstiteMetalLiquid metalMolecular dynamicsThermodynamicsInteratomic potentialChemistryOxygenAb initioChemical physicsMaterials scienceComputational chemistryMetallurgyPhysicsOrganic chemistryNuclear Materials and PropertiesMetallurgical Processes and ThermodynamicsHigh-pressure geophysics and materials