Deformation of niobium nanocrystal by absolutely rigid wedge


I. M. Frantsevich Institute for Problems of Materials Science of the NAS of Ukraine, Omeliana Pritsaka str.,3, Kyiv, 03142, Ukraine
Mathematical Models and Computing Experiment in Material Science - Kiev: Frantsevich Institute for Problems of Materials Science NASU, 2009, #11


The molecular-dynamic simulation of denting absolutely rigid wedge in niobium nanocrystal іs carried out. The behavior of niobium crystal lattice in conditions of deep 3D-deformatіon including elastic displacements, shifting and cutting with essential mass transfer of bulk and surface layers of material is investigated. The data concerning atom-structural rearrangements on nanolevel at different corners of sharpening of a wedge – 30о and 60о for the first time are received. The after-effect, namely relaxation of a lattice after cutting at the presence of a wedge (limited relaxation) and after its removing (free relaxation) are also investigated.