caa a22 4500 463226526 CHVBK 20180405153228.0 cr unu---uuuuu 170326e20070901xx s 000 0 eng 10.1007/s10853-007-1626-6 doi (NATIONALLICENCE)springer-10.1007/s10853-007-1626-6 Structural unit and faceting description of Σ3 asymmetric tilt grain boundaries [Elektronische Daten] [Mark Tschopp, David McDowell] 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. Springer Science+Business Media, LLC, 2007 Tschopp Mark School of Materials Science and Engineering, Georgia Institute of Technology, 801 Ferst Drive, 30332-0245, Atlanta, GA, USA aut McDowell David G.W. Woodruff School of Mechanical Engineering, School of Materials Science and Engineering, Georgia Institute of Technology, 801 Ferst Drive, 30332-0245, Atlanta, GA, USA aut Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/18(2007-09-01), 7806-7811 0022-2461 42:18<7806 2007 42 10853 https://doi.org/10.1007/s10853-007-1626-6 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10853-007-1626-6 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Tschopp Mark School of Materials Science and Engineering, Georgia Institute of Technology, 801 Ferst Drive, 30332-0245, Atlanta, GA, USA aut NATIONALLICENCE 700 1- McDowell David G.W. Woodruff School of Mechanical Engineering, School of Materials Science and Engineering, Georgia Institute of Technology, 801 Ferst Drive, 30332-0245, Atlanta, GA, USA aut NATIONALLICENCE 773 0- Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/18(2007-09-01), 7806-7811 0022-2461 42:18<7806 2007 42 10853 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer