Change in the structural state of grain boundaries under high-rate mechanical loading

The molecular-dynamic modeling of the behavior of a three-dimensional crystallite that contains a specific-type grain boundary under shear loading is performed. It is found that the accommodation of displacements of the material grains can be realized owing to structural changes in the intergrain boundaries. The crystal-like structure of the grains can be restored after the external action terminates. The results obtained give deeper insight into the nature of the structural response of the material under mechanical loading at the atomic level.