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  4. Analysis of double cross-slip of pyramidal I < c plus a > screw dislocations and implications for ductility in Mg alloys
 
research article

Analysis of double cross-slip of pyramidal I < c plus a > screw dislocations and implications for ductility in Mg alloys

Ahmad, Rasool  
•
Wu, Zhaoxuan
•
Curtin, W. A.  
January 15, 2020
Acta Materialia

Solute accelerated cross-slip of pyramidal < c + a > screw dislocations has recently been recognized as a crucial mechanism in enhancing the ductility of solid-solution Mg alloys. In pure Mg, cross-slip is ineffective owing to the energy difference between the high energy pyramidal I and low energy pyramidal II < c + a > screw dislocations. A small addition of solutes, especially rare earth (RE) elements, can reduce this energy difference and accelerate cross-slip, thus enabling enhanced ductility. With increasing solute concentrations, the pyramidal I dislocation can become energetically favorable, which switches the primary < c + a > slip plane and alters the cross-slip process. Here, the transition path and energetics for double cross-slip of pyramidal I < c + a > dislocations are analysed in the regime where the pyramidal I dislocation is energetically more favorable than the pyramidal II. This is achieved using nudged elastic band simulations on a proxy MEAM potential for Mg designed to favor the pyramidal I over pyramidal II. The minimum energy transition path for pyramidal I double cross-slip is found to initiate with cross-slip onto a pyramidal II plane followed by cross-slip onto a pyramidal I plane parallel to the original pyramidal I plane. A previous mechanistic model for ductility is then extended to higher solute concentrations where pyramidal I is favorable. The model predicts an upper limit of solute concentrations beyond which ductility again becomes poor in Mg alloys. The model predictions are consistent with limited experiments of Mg-RE alloys at high concentrations and motivate further experimental studies in the high concentration regime. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  • Details
  • Metrics
Type
research article
DOI
10.1016/j.actamat.2019.10.053
Web of Science ID

WOS:000506465100020

Author(s)
Ahmad, Rasool  
Wu, Zhaoxuan
Curtin, W. A.  
Date Issued

2020-01-15

Publisher

PERGAMON-ELSEVIER SCIENCE LTD

Published in
Acta Materialia
Volume

183

Start page

228

End page

241

Subjects

Materials Science, Multidisciplinary

•

Metallurgy & Metallurgical Engineering

•

Materials Science

•

cross-slip

•

pyramidal dislocation

•

mg-re alloy

•

neb method

•

molecular dynamics

•

solid-solution

•

magnesium

•

texture

•

1st-principles

•

basal

•

deformation

•

formability

•

energetics

•

fault

•

edge

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LAMMM  
Available on Infoscience
March 3, 2020
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/166702
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