Atomistic simulations of dislocation pileup: Grain boundaries interaction
Abstract
Here, using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation of these kinetic processes with the available slip systems across the GB and atomic structures of the GB.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1246365
- Report Number(s):
- LA-UR-15-25413
Journal ID: ISSN 1047-4838; PII: 1454
- Grant/Contract Number:
- LANLE8C4; ER20140450; AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- JOM. Journal of the Minerals, Metals & Materials Society
- Additional Journal Information:
- Journal Volume: 67; Journal Issue: 7; Journal ID: ISSN 1047-4838
- Publisher:
- Springer
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; dislocation pileup; grain boundary; molecular dynamics
Citation Formats
Wang, Jian. Atomistic simulations of dislocation pileup: Grain boundaries interaction. United States: N. p., 2015.
Web. doi:10.1007/s11837-015-1454-0.
Wang, Jian. Atomistic simulations of dislocation pileup: Grain boundaries interaction. United States. https://doi.org/10.1007/s11837-015-1454-0
Wang, Jian. Wed .
"Atomistic simulations of dislocation pileup: Grain boundaries interaction". United States. https://doi.org/10.1007/s11837-015-1454-0. https://www.osti.gov/servlets/purl/1246365.
@article{osti_1246365,
title = {Atomistic simulations of dislocation pileup: Grain boundaries interaction},
author = {Wang, Jian},
abstractNote = {Here, using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation of these kinetic processes with the available slip systems across the GB and atomic structures of the GB.},
doi = {10.1007/s11837-015-1454-0},
journal = {JOM. Journal of the Minerals, Metals & Materials Society},
number = 7,
volume = 67,
place = {United States},
year = {Wed May 27 00:00:00 EDT 2015},
month = {Wed May 27 00:00:00 EDT 2015}
}
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Figures / Tables:
Figure 1: Schematics of dislocation pileup — grain boundary interactions shows four reaction modes at GBs: slip transmission for a lattice glide dislocation across the grain boundary, slip reflection at the grain boundary, gliding of interface dislocation/disconnection along the grain boundary and climbing of interface dislocation/step along the grain boundary.more »
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Works referencing / citing this record:
Comparing EAM Potentials to Model Slip Transfer of Sequential Mixed Character Dislocations Across Two Symmetric Tilt Grain Boundaries in Ni
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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.