Molecular dynamics simulations of intensive plastic deformation

TL;DR

This paper uses molecular dynamics simulations to explore the atomic-scale mechanisms during intensive plastic deformation, revealing soliton-like waves, micropore formation, and nanostructural grain boundaries.

Contribution

It introduces detailed simulation insights into dislocation kinetics, micropore dynamics, and nanostructure formation under intense deformation conditions.

Findings

Observation of soliton-like waves disrupting interparticle bonds

Formation and emission of micropores during deformation

Development of nanostructures and grain boundaries

Abstract

Kinetics of dislocations is studied by means of computer simulation during intensive plastic deformation. The dynamical effect in the form of soliton-like wave of sharply disrupted interparticle bonds is observed. Along with it, micropores similar to steam bubbles at water boiling are formed. After some deformation the solid takes an ideal structure again owing to "emission of the bubbles". The dislocations in this state (with micropore) can form a grain boundary in the case of nano-structural materials. The nanoscopic object of rotational nature is observed at uniaxial intensive deformation. Rotation of some volume of sample which realized with phase transition scenario was observed by intensive shear deformation.