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Title: Formation of Dislocations and Twins As a Result of Uniaxial Compression of Magnesium Single Crystals: Molecular Dynamics Simulation

Abstract

An atomistic simulation of the deformation of ideal magnesium crystal along the [112̄0] crystallographic axis has been performed. The evolution of structural defects under load at T = 300–350 K is considered in detail. It is established that the nucleation of dislocations in an ideal crystal occurs when the stress reaches a level of 0.1G (G is the shear modulus). The acting deformation modes are found to be prismatic slip of a dislocations and {101̄3} twinning. The formation of dislocation networks and dislocation sites in the twinning plane is observed. Some reactions are proposed to describe the dislocation evolution in the (3̄034) plane.

Authors:
 [1]
  1. Russian Academy of Sciences, Institute of Strength Physics and Materials Science, Siberian Branch (Russian Federation)
Publication Date:
OSTI Identifier:
22758250
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 63; Journal Issue: 3; Other Information: Copyright (c) 2018 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; COMPUTERIZED SIMULATION; CRYSTALLOGRAPHY; DEFECTS; DEFORMATION; DISLOCATIONS; MAGNESIUM; MOLECULAR DYNAMICS METHOD; MONOCRYSTALS; NUCLEATION; SHEAR; SLIP; STRESSES; TWINNING

Citation Formats

Vlasova, A. M., E-mail: alisa@imp.uran.ru, and Nikonov, A. Yu. Formation of Dislocations and Twins As a Result of Uniaxial Compression of Magnesium Single Crystals: Molecular Dynamics Simulation. United States: N. p., 2018. Web. doi:10.1134/S1063774518030318.
Vlasova, A. M., E-mail: alisa@imp.uran.ru, & Nikonov, A. Yu. Formation of Dislocations and Twins As a Result of Uniaxial Compression of Magnesium Single Crystals: Molecular Dynamics Simulation. United States. https://doi.org/10.1134/S1063774518030318
Vlasova, A. M., E-mail: alisa@imp.uran.ru, and Nikonov, A. Yu. 2018. "Formation of Dislocations and Twins As a Result of Uniaxial Compression of Magnesium Single Crystals: Molecular Dynamics Simulation". United States. https://doi.org/10.1134/S1063774518030318.
@article{osti_22758250,
title = {Formation of Dislocations and Twins As a Result of Uniaxial Compression of Magnesium Single Crystals: Molecular Dynamics Simulation},
author = {Vlasova, A. M., E-mail: alisa@imp.uran.ru and Nikonov, A. Yu.},
abstractNote = {An atomistic simulation of the deformation of ideal magnesium crystal along the [112̄0] crystallographic axis has been performed. The evolution of structural defects under load at T = 300–350 K is considered in detail. It is established that the nucleation of dislocations in an ideal crystal occurs when the stress reaches a level of 0.1G (G is the shear modulus). The acting deformation modes are found to be prismatic slip of a dislocations and {101̄3} twinning. The formation of dislocation networks and dislocation sites in the twinning plane is observed. Some reactions are proposed to describe the dislocation evolution in the (3̄034) plane.},
doi = {10.1134/S1063774518030318},
url = {https://www.osti.gov/biblio/22758250}, journal = {Crystallography Reports},
issn = {1063-7745},
number = 3,
volume = 63,
place = {United States},
year = {Tue May 15 00:00:00 EDT 2018},
month = {Tue May 15 00:00:00 EDT 2018}
}