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Crystals 2017, 7(5), 120; doi:10.3390/cryst7050120

Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions

1
The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0405, USA
2
Department of Aerospace Engineering, Iowa State University, Ames, IA 50011, USA
3
Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, FL 32611-6250, USA
4
School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0245, USA
*
Author to whom correspondence should be addressed.
Academic Editor: Sinisa Dj. Mesarovic
Received: 7 March 2017 / Revised: 10 April 2017 / Accepted: 19 April 2017 / Published: 26 April 2017
(This article belongs to the Special Issue Plasticity of Crystals and Interfaces)
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Abstract

Dislocation/stacking fault interactions play an important role in the plastic deformation of metallic nanocrystals and polycrystals. These interactions have been explored in atomistic models, which are limited in scale length by high computational cost. In contrast, multiscale material modeling approaches have the potential to simulate the same systems at a fraction of the computational cost. In this paper, we validate the concurrent atomistic-continuum (CAC) method on the interactions between a lattice screw dislocation and a stacking fault (SF) in three face-centered cubic metallic materials—Ni, Al, and Ag. Two types of SFs are considered: intrinsic SF (ISF) and extrinsic SF (ESF). For the three materials at different strain levels, two screw dislocation/ISF interaction modes (annihilation of the ISF and transmission of the dislocation across the ISF) and three screw dislocation/ESF interaction modes (transformation of the ESF into a three-layer twin, transformation of the ESF into an ISF, and transmission of the dislocation across the ESF) are identified. Our results show that CAC is capable of accurately predicting the dislocation/SF interaction modes with greatly reduced DOFs compared to fully-resolved atomistic simulations. View Full-Text
Keywords: dislocation; stacking fault; concurrent atomistic-continuum method dislocation; stacking fault; concurrent atomistic-continuum method
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Xu, S.; Xiong, L.; Chen, Y.; McDowell, D.L. Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions. Crystals 2017, 7, 120.

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