Work

Molecular Dynamics Simulation of the Structural State of a Solid under Mechanical Activation

Year: 2026

Type: preprint

Abstract: Structural changes under intense shear deformation were studied by molecular dynamics in two- and three-dimensional models of solids with Lennard-Jones and ionic interaction potentials. The structural states of the three-dimensional models were analyzed by means of the Voronoi-Delaunay tessellation. The spatial distribution of defects was analyzed and the macroscopic characteristics of the models were determined. It is shown that plastic flow proceeds through the subdivision of the material into blocks separated by an interlayer disordered to a varying degree.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.22086266

Author: Gainutdinov, I. I.

Institutions: Siberian Branch of the Russian Academy of Sciences, Institute of Solid State Chemistry and Mechanochemistry

Language: English

Topic: Microstructure and mechanical properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7204073643

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