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research article

Multiscale plasticity modeling: coupled atomistics and discrete dislocation mechanics

Shilkrot, L. E.
•
Miller, R. E.
•
Curtin, W. A.  
2004
Journal Of The Mechanics And Physics Of Solids

A computational method (CADD) is presented whereby a continuum region containing dislocation defects is coupled to a fully atomistic region. The model is related to previous hybrid models in which continuum finite elements are coupled to a fully atomistic region, with two key advantages: the ability to accomodate discrete dislocations in the continuum region and an algorithm for automatically detecting dislocations as they move from the atomistic region to the continuum region and then correctly "converting" the atomistic dislocations into discrete dislocations, or vice-versa. The resulting CADD model allows for the study of 2d problems involving large numbers of defects where the system size is too big for fully atomistic simulation, and improves upon existing discrete dislocation techniques by preserving accurate atomistic details of dislocation nucleation and other atomic scale phenomena. Applications to nanoindentation, atomic scale void growth under tensile stress, and fracture are used to validate and demonstrate the capabilities of the model. (C) 2003 Elsevier Ltd. All rights reserved.

  • Details
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Type
research article
DOI
10.1016/j.jmps.2003.09.023
Author(s)
Shilkrot, L. E.
Miller, R. E.
Curtin, W. A.  
Date Issued

2004

Published in
Journal Of The Mechanics And Physics Of Solids
Volume

52

Start page

755

End page

787

Subjects

atomistic

•

atomistic simulation

•

continuum

•

defects

•

deformation

•

Dislocations

•

dynamics

•

embedded-atom-method

•

fcc metals

•

length scales

•

multiscale modelling

•

solids

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LAMMM  
Available on Infoscience
November 7, 2014
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/108349
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