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Atomistic Simulation of Grain Boundaries in Niobium: Structure, Energy, Point Defects and Grain-Boundary Self-Diffusion

V. V. Popov, M. E. Stupak, M. G. Urazaliev

2022Journal of Phase Equilibria and Diffusion11 citationsDOI

Topics & Concepts

Grain boundaryNiobiumMaterials scienceMolecular dynamicsGrain boundary diffusion coefficientVacancy defectTilt (camera)DiffusionCondensed matter physicsSelf-diffusionCrystallographic defectBoundary (topology)Grain boundary strengtheningThermodynamicsEffective diffusion coefficientMicrostructureMetallurgyGeometryComputational chemistryChemistryPhysicsMathematical analysisSelf-serviceMarketingRadiologyMedicineBusinessMathematicsMagnetic resonance imagingMicrostructure and mechanical propertiesnanoparticles nucleation surface interactionsMicrostructure and Mechanical Properties of Steels
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