Molecular dynamic simulation of uniaxial constrained conditions deformation of [001]-single crystals of aluminum bronze.

The deformation of polycrystal grains is hampered by the action of nearby grains. Their influence on structural changes under uniaxial compression has been studied using molecular dynamics simulations. [100] single crystals were studied as a characteristic orientation of growth grains. This orientation is most found in products obtained by electron-beam surfacing of aluminum bronze. The patterns of slip, twinning, and the formation of deformation domains are traced depending on the conditions for limiting the shear towards the lateral faces of the sample. Shown, that the shear limitation and the complication of the stress tensor contribute to the earlier development of twinning. [ABSTRACT FROM AUTHOR]