Atomic diffusion, segregation, and grain boundary migration in nickel-based alloys from molecular dynamics simulations
Pauline Simonnin, Daniel K. Schreiber, Blas P. Uberuaga, Kevin M. Rosso
Topics & Concepts
Grain boundaryMaterials scienceGrain boundary diffusion coefficientMolecular dynamicsDiffusionEffective diffusion coefficientChemical physicsArrhenius equationVacancy defectActivation energyCondensed matter physicsAlloyNickelMetallurgyThermodynamicsPhysical chemistryMicrostructureComputational chemistryPhysicsChemistryMagnetic resonance imagingRadiologyMedicineMicrostructure and mechanical propertiesHigh Temperature Alloys and CreepNuclear Materials and Properties