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  4. Large scale 3-dimensional atomistic simulations of screw dislocations interacting with coherent twin boundaries in Al, Cu and Ni under uniaxial and multiaxial loading conditions
 
research article

Large scale 3-dimensional atomistic simulations of screw dislocations interacting with coherent twin boundaries in Al, Cu and Ni under uniaxial and multiaxial loading conditions

Dupraz, Maxime
•
Rao, Satish I.  
•
Van Swygenhoven, Helena  
August 1, 2019
Acta Materialia

Large scale 3D atomistic simulations are performed to study the interaction between a curved dislocation with a dominant screw character and a Coherent Twin Boundary (CTB). Three FCC metals (Al, Cu and Ni) are addressed using 6 embedded-atom method (EAM) potentials. The reaction mechanisms are studied first under uniaxial stress showing that transmission mechanism and critical transmission stress depend on the material considered and differ from results reported in quasi- 2D simulations. Then, the influence of multiaxial stresses including shear components in the CTB is investigated. It is shown that the influence of the loading conditions, which can be represented in terms of the Escaig stress, is material dependent. In Al and Cu, the critical transmission stress is largely dependent on the Escaig stress while only mildly for Ni. The presence of a shear component in the CTB tends to increase the critical transmission stress for all three materials. The absorption and desorption mechanisms of the screw dislocation are correlated with a potential energy barrier. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd.

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Type
research article
DOI
10.1016/j.actamat.2019.05.025
Web of Science ID

WOS:000474501300003

Author(s)
Dupraz, Maxime
Rao, Satish I.  
Van Swygenhoven, Helena  
Date Issued

2019-08-01

Published in
Acta Materialia
Volume

174

Start page

16

End page

28

Subjects

Materials Science, Multidisciplinary

•

Metallurgy & Metallurgical Engineering

•

Materials Science

•

molecular dynamics

•

twin boundary

•

screw dislocation

•

face-centered cubic crystals

•

multiaxial loading

•

cross-slip

•

interatomic potentials

•

lattice dislocations

•

ultrahigh strength

•

grain-boundary

•

deformation

•

copper

•

mechanisms

•

ductility

•

system

Note

This is an open access article under the terms of the Creative Commons Attribution License

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

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LAMMM  
UPSWYG  
Available on Infoscience
July 24, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/159349
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