Effects of temperature on surface-controlled dislocation multiplication in body-centered-cubic metal nanowires
Abstract
Recent computational studies revealed that screw dislocations in body-centered-cubic (bcc) metal nanowires can self-multiply through cross-slip near the free surface. This unique process was termed surface-controlled dislocation multiplication (SCDM). In bcc metals, screw dislocation motion and its cross-slip behavior are often related to thermally activated processes; due to this relation, SCDM is expected to be highly temperature-sensitive. In this study, therefore, we investigated how temperature influences the SCDM in bcc molybdenum and niobium nanowires using atomistic simulations. Regardless of the difference in lattice resistance at a given temperature, both systems show similar trends of critical shear stress of SCDM with respect to temperature. Further, the temperature dependence was found to be divided into three different regimes; (1) lattice-resistance-dominant; (2) segmentation-dominant; (3) steady-state segmentation. The presence of these three regimes will be discussed in terms of the temperature-dependence of the lattice resistance and the dynamics of dislocation segmentation in the nano-scale volume. Our results provide a fundamental understanding of screw dislocation behavior in bcc metals at the nanometer scale and varying temperatures.
- Publication Date:
- Research Org.:
- Univ. of Connecticut, Storrs, CT (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; USDOE
- OSTI Identifier:
- 1599643
- Alternate Identifier(s):
- OSTI ID: 1542675
- Grant/Contract Number:
- SC0018895
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Computational Materials Science
- Additional Journal Information:
- Journal Volume: 168; Journal Issue: C; Journal ID: ISSN 0927-0256
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Crystal plasticity; Molecular dynamics; Screw dislocation multiplication; Bcc metal
Citation Formats
Song, Gyuho, and Lee, Seok-Woo. Effects of temperature on surface-controlled dislocation multiplication in body-centered-cubic metal nanowires. United States: N. p., 2019.
Web. doi:10.1016/j.commatsci.2019.05.063.
Song, Gyuho, & Lee, Seok-Woo. Effects of temperature on surface-controlled dislocation multiplication in body-centered-cubic metal nanowires. United States. https://doi.org/10.1016/j.commatsci.2019.05.063
Song, Gyuho, and Lee, Seok-Woo. Sat .
"Effects of temperature on surface-controlled dislocation multiplication in body-centered-cubic metal nanowires". United States. https://doi.org/10.1016/j.commatsci.2019.05.063. https://www.osti.gov/servlets/purl/1599643.
@article{osti_1599643,
title = {Effects of temperature on surface-controlled dislocation multiplication in body-centered-cubic metal nanowires},
author = {Song, Gyuho and Lee, Seok-Woo},
abstractNote = {Recent computational studies revealed that screw dislocations in body-centered-cubic (bcc) metal nanowires can self-multiply through cross-slip near the free surface. This unique process was termed surface-controlled dislocation multiplication (SCDM). In bcc metals, screw dislocation motion and its cross-slip behavior are often related to thermally activated processes; due to this relation, SCDM is expected to be highly temperature-sensitive. In this study, therefore, we investigated how temperature influences the SCDM in bcc molybdenum and niobium nanowires using atomistic simulations. Regardless of the difference in lattice resistance at a given temperature, both systems show similar trends of critical shear stress of SCDM with respect to temperature. Further, the temperature dependence was found to be divided into three different regimes; (1) lattice-resistance-dominant; (2) segmentation-dominant; (3) steady-state segmentation. The presence of these three regimes will be discussed in terms of the temperature-dependence of the lattice resistance and the dynamics of dislocation segmentation in the nano-scale volume. Our results provide a fundamental understanding of screw dislocation behavior in bcc metals at the nanometer scale and varying temperatures.},
doi = {10.1016/j.commatsci.2019.05.063},
journal = {Computational Materials Science},
number = C,
volume = 168,
place = {United States},
year = {Sat Jun 15 00:00:00 EDT 2019},
month = {Sat Jun 15 00:00:00 EDT 2019}
}
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Figures / Tables:
Figure 1: Initial atomistic simulation set-up (a) A nanowire containing a dislocation in a simulation box with periodic boundary condition in 3 dimensions; (b) The top view of a screw dislocation in a Nb nanowire.
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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.