Computer Experiment on Deformation of Nanocrystals of the Chromium-Niobium System. Part 2. Mechanical Properties.

Molecular-dynamic simulation of the process of stretching of chromium and niobium nanocrystals and chromium-niobium bicrystals was performed to a pair-potential approximation. The authors obtained and analyzed the dependences of the potential energy, the number of pair interactions, work of deformation, stress, reduction in the cross-sectional area, and Poisson’s ratio on the strain with various orientations of nanocrystals with respect to the tensile force. They calculated the characteristics of elasticity, yielding, and strength of nanocrystals. [ABSTRACT FROM AUTHOR]