Abstract
This article provides a concise discussion of thermodynamic and kinetic contributions to microstructure stabilization by dopant atoms located at interfaces in metallic nanocrystalline materials and an overview of recent molecular dynamics simulations used to study the behavior of dopant-modified interfaces in nanocrystalline copper. Molecular dynamics simulations show that antimony dopant atoms randomly positioned at copper grain boundaries can retard grain growth, in agreement with proposed thermodynamic and kinetic predictions. Simulations of uniaxial tensile deformation show a maximum in the flow strength at a grain size of 15 nm and that antimony dopants at the grain boundaries do not appreciably impact the nucleation of partial or full dislocations during uniaxial tensile deformation in nanocrystalline copper.
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