Journal of Materials Science

, Volume 42, Issue 18, pp 7806–7811 | Cite as

Structural unit and faceting description of Σ3 asymmetric tilt grain boundaries

  • Mark A. Tschopp
  • David L. McDowellEmail author


Atomistic simulations are employed to investigate the structure of Σ3 asymmetric tilt grain boundaries (ATGBs) with boundary planes rotated about the \(\langle 110 \rangle\) misorientation axis in Cu and Al. Results show that the structural units (SUs) and faceting of all 25 Σ3 ATGBs in Cu and Al intermediate to the coherent twin boundary and the symmetric incoherent twin boundary can be completely defined in terms of SUs for these two symmetric boundaries. A structural unit and faceting description for Σ3 asymmetric tilt grain boundaries is presented. Interestingly, this description is identical for both low stacking fault energy Cu and high stacking fault energy Al; only the dissociation width of the D structural unit on the incoherent twin facet differs in Cu and Al. A model based upon the coincidence plot and the structural units of the Σ3 coherent and incoherent twin boundaries is shown to accurately describe the structural units and faceting for all calculated Σ3 asymmetric tilt grain boundaries in this study. This model can also be extended to continuum descriptions of these boundaries to facilitate higher scale computational models.


Stack Fault Energy Misorientation Angle Coincident Site Lattice High Stack Fault Energy Tilt Axis 



This material is based upon work supported under a NSF Graduate Research Fellowship. This work was partially supported by the National Center for Supercomputing Applications under DMR060019N and utilized Cobalt. Additional support of the IHPCL at the Georgia Tech College of Computing is acknowledged. D.L.M. is grateful for the support of the Carter N. Paden, Jr. Distinguished Chair in Metals Processing for additional support of this work.


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Copyright information

© Springer Science+Business Media, LLC 2007

Authors and Affiliations

  1. 1.School of Materials Science and EngineeringGeorgia Institute of TechnologyAtlantaUSA
  2. 2.G.W. Woodruff School of Mechanical Engineering, School of Materials Science and EngineeringGeorgia Institute of TechnologyAtlantaUSA

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