Formation of Dislocations and Twins As a Result of Uniaxial Compression of Magnesium Single Crystals: Molecular Dynamics Simulation

AM Vlasova and AY Nikonov, CRYSTALLOGRAPHY REPORTS, 63, 331-338 (2018).

DOI: 10.1134/S1063774518030318

An atomistic simulation of the deformation of ideal magnesium crystal along the 11 & Unknown;0 crystallographic axis has been performed. The evolution of structural defects under load at T = 300-350 K is considered in detail. It is established that the nucleation of dislocations in an ideal crystal occurs when the stress reaches a level of 0.1 G (G4s the shear modulus). The acting deformation modes are found to be prismatic slip of a dislocations and 10 & Unknown;3 twinning. The formation of dislocation networks and dislocation sites in the twinning plane is observed. Some reactions are proposed to describe the dislocation evolution in the (& Unknown;034) plane.

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