Metals

Modeling the motion of edge dislocations in aluminum under high shear strains using molecular dynamics

I. S. Sugonyako^a, R. I. Babicheva^bc, A. Yu. Morkina^abd, D. V. Tarov^b, S. V. Dmitriev<sup>ac

a</sup> Ufa State Petroleum Technological University
^b Ufa University of Science and Technology
^c Institute of Molecule and Crystal Physics, Ufa Federal Research Centre, Russian Academy of Sciences
^d Institute for Metals Superplasticity Problems of RAS, Ufa

Abstract: The molecular dynamics method is used to study the motion of a pair of edge dislocations of opposite signs in a single crystal of aluminum with an fcc lattice under different shear stresses and temperatures. The dimensions of the computational cell with periodic boundary conditions in all three directions are chosen so that the dislocations do not interact with each other. The range of sufficiently large shear stresses is studied, when the above-barrier slip of dislocations is realized and their velocity decreases with increasing temperature due to an increase in viscous friction. The stacking fault energy is calculated and the oscillation frequency of the dislocation line is estimated. The obtained results are consistent with the known results of modeling and experimental data, and can be used to interpret the electroplasticity effect.

Keywords: molecular dynamics, edge dislocation, shear stresses, aluminum, Peierls–Nabarro potential.

Received: 04.08.2025
Revised: 15.08.2025
Accepted: 17.08.2025

DOI: 10.61011/FTT.2025.08.61310.221-25

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