Atomistic and phase field simulations of three dimensional interactions of {$$10\bar12$$} twins with grain boundaries in Mg: twin transmission and dislocation emission
Abstract
In polycrystals, the interaction of dislocations and twins with grain boundaries (GBs) plays a role in hardening and formability during plastic deformation. While dislocation-GB interactions are relatively well-understood, twin-GB interactions remain mostly unknown. In this work, an approach using molecular dynamics and phase-field simulations is followed to study the forward and lateral interactions between {$$10\bar12$$} twins and tilt grain boundaries in Mg. Molecular dynamics results show that the resolved shear stress on slip/twinning modes of the neighboring grain, not the geometric alignment, is the dominant factor in determining the outcome of the twin-GB interactions. For some lateral interaction configurations, as the misorientation angle increases, the resolved shear stress on the same {$$10\bar12$$} twin variant of the neighboring grain reduces while it increases for slip or I2 stacking fault emissions or other twin modes such as {$$11\bar12$$} and {$$10\bar11$$}, explaining why twin transmission is not seen at high misorientation angles. Furthermore, lateral and forward interactions of the twin with tilt grain boundaries whose misorientation axes are normal to the coherent twin boundary show significantly different outcomes. For the forward interaction, the twin is absorbed and stacking faults are emitted when interacting for low misorientation angles (up to 30°) while the lateral interaction results in twin transmission, nucleation of a {$$11\bar12$$} twin, and emission of I2 stacking faults. Finally, comparisons between twin interactions with symmetric and asymmetric tilt GBs with different GB structures show similar outcomes.
- Authors:
-
[1];
[1];
[1];
[1];
[1]
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Université de Lorraine, Metz (France)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC). Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1827576
- Report Number(s):
- LA-UR-20-29595
Journal ID: ISSN 2589-1529
- Grant/Contract Number:
- 89233218CNA000001; FWP 06SCPE401
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Materialia
- Additional Journal Information:
- Journal Volume: 20; Journal ID: ISSN 2589-1529
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Twinning; Twin Transmission; HCP metals; Magnesium
Citation Formats
Dang, Khanh Quoc, Graham, John Thomas, Mccabe, Rodney James, Taupin, Vincent, Tome, Carlos N., and Capolungo, Laurent. Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission. United States: N. p., 2021.
Web. doi:10.1016/j.mtla.2021.101247.
Dang, Khanh Quoc, Graham, John Thomas, Mccabe, Rodney James, Taupin, Vincent, Tome, Carlos N., & Capolungo, Laurent. Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission. United States. https://doi.org/10.1016/j.mtla.2021.101247
Dang, Khanh Quoc, Graham, John Thomas, Mccabe, Rodney James, Taupin, Vincent, Tome, Carlos N., and Capolungo, Laurent. Tue .
"Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission". United States. https://doi.org/10.1016/j.mtla.2021.101247. https://www.osti.gov/servlets/purl/1827576.
@article{osti_1827576,
title = {Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission},
author = {Dang, Khanh Quoc and Graham, John Thomas and Mccabe, Rodney James and Taupin, Vincent and Tome, Carlos N. and Capolungo, Laurent},
abstractNote = {In polycrystals, the interaction of dislocations and twins with grain boundaries (GBs) plays a role in hardening and formability during plastic deformation. While dislocation-GB interactions are relatively well-understood, twin-GB interactions remain mostly unknown. In this work, an approach using molecular dynamics and phase-field simulations is followed to study the forward and lateral interactions between {$10\bar12$} twins and tilt grain boundaries in Mg. Molecular dynamics results show that the resolved shear stress on slip/twinning modes of the neighboring grain, not the geometric alignment, is the dominant factor in determining the outcome of the twin-GB interactions. For some lateral interaction configurations, as the misorientation angle increases, the resolved shear stress on the same {$10\bar12$} twin variant of the neighboring grain reduces while it increases for slip or I2 stacking fault emissions or other twin modes such as {$11\bar12$} and {$10\bar11$}, explaining why twin transmission is not seen at high misorientation angles. Furthermore, lateral and forward interactions of the twin with tilt grain boundaries whose misorientation axes are normal to the coherent twin boundary show significantly different outcomes. For the forward interaction, the twin is absorbed and stacking faults are emitted when interacting for low misorientation angles (up to 30°) while the lateral interaction results in twin transmission, nucleation of a {$11\bar12$} twin, and emission of I2 stacking faults. Finally, comparisons between twin interactions with symmetric and asymmetric tilt GBs with different GB structures show similar outcomes.},
doi = {10.1016/j.mtla.2021.101247},
journal = {Materialia},
number = ,
volume = 20,
place = {United States},
year = {Tue Oct 12 00:00:00 EDT 2021},
month = {Tue Oct 12 00:00:00 EDT 2021}
}
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