Journal of Physics Condensed Matter · 2012 · 61 citations · 38 references
Natural SciencesMaterials EngineeringMaterials ScienceComputational Materials ScienceMetallurgyStructural MaterialsAlloysDislocation MechanicsDislocation TheoryDuctilityMetalsStacking FaultsDislocation Core StructureDislocation CoresLightweight MaterialsMagnesium AlloysMagnesium MetallurgyPeierls-nabarro ModelStacking Fault EffectsStacking Fault Energy
There is a pressing need to improve the ductility of magnesium alloys so that they can be applied as lightweight structural materials. In this study, a mechanism for enhancing the ductility of magnesium alloys has been pursued using the atomistic method. The generalized stacking fault (GSF) energies for basal and prismatic planes in magnesium were calculated by using density functional theory, and the effect of the GSF energy on the dislocation core structures was examined using a semidiscrete variational Peierls-Nabarro model. Yttrium was found to have an anomalous influence on the solution softening owing to a reduction in the GSF energy gradient.
38
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17