The deformation behaviour of bicrystals, having a Σ11, <110>{131} symmetrical tilt grain boundary, under pure shear was studied by means of molecular dynamics with embedded-atom method interatomic potentials. The simulated results indicated that the plastic strain of the bicrystals could be accommodated by grain-boundary migration coupled shear deformation or grain-boundary sliding; depending upon the shear direction. Detailed study revealed that both the grain boundary coupling motion and the grain boundary sliding could be rationalized by the grain boundary disconnection mechanism. The calculated coupling factors agreed well with the |b|/h ratios of the disconnections responsible. Based upon these results, a shear-direction dependent deformation behaviour of this grain boundary was proposed; placing special emphasis on the dominant role played by grain-boundary disconnections with a Burger’s vector of (1/22)<471>-type.

Shear Response of the Σ11, <110>{131} Symmetric Tilt Grain Boundary Studied by Molecular Dynamics. L.Wan, S.Wang: Modelling and Simulation in Materials Science and Engineering, 2009, 17[4], 045008