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

dc.contributor.author Xiong, Liming
dc.contributor.author Xiong, Liming
dc.contributor.author Chen, Youping
dc.contributor.author McDowell, David L.
dc.contributor.department Aerospace Engineering
dc.date.accessioned 2022-02-17T23:07:33Z
dc.date.available 2022-02-17T23:07:33Z
dc.date.issued 2017-04-26
dc.description.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.
dc.description.comments This article is published as Xu, Shuozhi, Liming Xiong, Youping Chen, and David L. McDowell. "Validation of the concurrent atomistic-continuum method on screw dislocation/stacking fault interactions." Crystals 7, no. 5 (2017): 120. DOI: 10.3390/cryst7050120. Copyright 2017 by the authors. Attribution 4.0 International (CC BY 4.0). Posted with permission.
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/arY4Ro0v
dc.language.iso en_US
dc.publisher MDPI
dc.source.uri https://doi.org/10.3390/cryst7050120 *
dc.subject.disciplines DegreeDisciplines::Engineering::Aerospace Engineering::Structures and Materials
dc.subject.disciplines DegreeDisciplines::Physical Sciences and Mathematics::Physics::Engineering Physics
dc.title Validation of the Concurrent Atomistic-Continuum Method on Screw Dislocation/Stacking Fault Interactions
dc.type Article
dspace.entity.type Publication
relation.isAuthorOfPublication 19ad205a-f06f-45c3-a6bf-79d9d1d97a68
relation.isOrgUnitOfPublication 047b23ca-7bd7-4194-b084-c4181d33d95d
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