Molecular Dynamics Study of the Behavior of Single- and Polycrystals of BCC Fe under Shear Loading Conditions

AY Nikonov, PROCEEDINGS OF THE ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES, 2051, 020213 (2018).

DOI: 10.1063/1.5083456

In the paper, the regularities of plastic deformation in single- and polycrystals of bcc iron under shear loading are investigated with the use of the molecular dynamics method. Values of shear stresses arising in this case are estimated and compared. According to the results, shear deformation in a nanoscale polycrystal is realized by means of two competing mechanisms: grain boundary sliding and recrystallization of individual grains. With the growth of grains to dimensions comparable with the size of the whole crystallite, deformation in them begins to develop mainly due to the formation of lattice defects, just as it occurs in the single crystal.

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