Study of grain boundary self-diffusion in iron with different atomistic models
Sergey Starikov, Matous Mrovec, Ralf Drautz
Topics & Concepts
Self-diffusionMaterials scienceDiffusionGrain boundaryGrain boundary diffusion coefficientMolecular dynamicsChemical physicsAtomic diffusionEffective diffusion coefficientAb initioAb initio quantum chemistry methodsCondensed matter physicsMolecular physicsThermodynamicsComputational chemistryMicrostructureMetallurgyPhysicsMoleculeChemistrySelf-serviceMagnetic resonance imagingMedicineRadiologyBusinessQuantum mechanicsMarketingMicrostructure and mechanical propertiesMagnetic Properties and ApplicationsFusion materials and technologies