Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10621106 | Acta Materialia | 2005 | 13 Pages |
Abstract
Molecular-dynamics simulations were used to study grain-boundary migration as well as grain-boundary self-diffusion of low-angle and high-angle [0Â 0Â 1] planar twist grain boundaries (GBs) in copper. Elastic strain was imposed to drive the planar [0Â 0Â 1] twist GBs. The temperature dependence of the GB mobility was determined over a wide misorientation range. Additionally grain-boundary self-diffusion was studied for all investigated [0Â 0Â 1] planar twist GBs. A comparison of the activation energies determined shows that grain-boundary migration and self-diffusion are distinctly different processes. The behavior of atoms during grain-boundary migration was analyzed for all studied GBs. The analysis reveals that usually in absolute pure materials high-angle planar [0Â 0Â 1] twist GBs move by a collective shuffle mechanism while low-angle GBs move by a dislocation based mechanism. The obtained activation parameters were analyzed with respect to the compensation effect.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
B. Schönfelder, G. Gottstein, L.S. Shvindlerman,