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