Atomistic Modelling and Simulation (AMS)
Theoretical analysis of dislocation splittings in MoSi2
V. Paidar, M. Čák, M. Šob, V. Vitek.
Journal of Physics: Conference Series, 240, 012007, (2010)
Due to a lower symmetry of the tetragonal C11b structure when compared with the cubic BCC lattice, the 1/2<331] dislocation cores are split asymmetrically contrary to the 1/2<111> BCC dislocations. This has essential impact on their behaviour and, consequently, on mechanical properties. Various types of dislocation dissociations are analyzed in the frame of anisotropic elasticity with the help of the data from ab initio calculations of γ-surfaces for generalized stacking faults.