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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];  [2]
  1. Russian Academy of Sciences, Miheev Institute of Metal Physics, Ural Branch (Russian Federation)
  2. 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. doi:10.1134/S1063774518030318.
Vlasova, A. M., E-mail: alisa@imp.uran.ru, and Nikonov, A. Yu. Tue . "Formation of Dislocations and Twins As a Result of Uniaxial Compression of Magnesium Single Crystals: Molecular Dynamics Simulation". United States. doi: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},
journal = {Crystallography Reports},
issn = {1063-7745},
number = 3,
volume = 63,
place = {United States},
year = {2018},
month = {5}
}