Using molecular dynamics to determine mechanical grain boundary energies and capture their dependence on residual Burgers vector, segregation and grain size
Fei Shuang, Katerina E. Aifantis
Topics & Concepts
Materials scienceBurgers vectorGrain boundaryDislocationGrain boundary strengtheningMolecular dynamicsPlasticityGrain sizeSlip (aerodynamics)Condensed matter physicsCrystallographyComposite materialThermodynamicsMicrostructurePhysicsComputational chemistryChemistryMicrostructure and mechanical propertiesHydrogen embrittlement and corrosion behaviors in metalsMetal and Thin Film Mechanics