skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better

Abstract

Solute additions are commonly used to stabilize nanocrystalline materials against grain growth, and can simultaneously enhance the strength of the material by impeding dislocation emission from the grain boundaries. In this study we demonstrate using molecular dynamics (MD) simulations that the effect of solutes on dislocation nucleation depends on the distribution of solutes at the grain boundary, and can vary dramatically depending on the solute type. Solutes with a smaller positive size mismatch to the host can be more effective in suppressing dislocation emission from grain boundaries than others that have larger mismatch. In particular, although Ag solutes have a smaller misfit with Cu than Zr solutes, the effect of Ag on the dislocation nucleation from grain boundaries in Cu can be larger than the corresponding effect of Zr. Furthermore, these findings are relevant to the search for optimal solute additions, which can strengthen a nanocrytalline material by suppressing the nucleation of dislocation slip from grain boundaries, while stabilizing it against grain growth.

Authors:
 [1];  [1]; ORCiD logo [2]
  1. Ames Lab., Ames, IA (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1481020
Alternate Identifier(s):
OSTI ID: 1702762
Report Number(s):
IS-J-9792
Journal ID: ISSN 0749-6419; PII: S0749641918300275
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
International Journal of Plasticity
Additional Journal Information:
Journal Volume: 109; Journal Issue: C; Journal ID: ISSN 0749-6419
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Solute segregation at grain boundaries; Dislocation nucleation; Yield stress; Monte Carlo simulation; Molecular dynamics simulation

Citation Formats

Borovikov, Valery, Mendelev, Mikhail I., and King, Alexander H. Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better. United States: N. p., 2018. Web. doi:10.1016/j.ijplas.2018.05.009.
Borovikov, Valery, Mendelev, Mikhail I., & King, Alexander H. Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better. United States. https://doi.org/10.1016/j.ijplas.2018.05.009
Borovikov, Valery, Mendelev, Mikhail I., and King, Alexander H. Wed . "Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better". United States. https://doi.org/10.1016/j.ijplas.2018.05.009. https://www.osti.gov/servlets/purl/1481020.
@article{osti_1481020,
title = {Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better},
author = {Borovikov, Valery and Mendelev, Mikhail I. and King, Alexander H.},
abstractNote = {Solute additions are commonly used to stabilize nanocrystalline materials against grain growth, and can simultaneously enhance the strength of the material by impeding dislocation emission from the grain boundaries. In this study we demonstrate using molecular dynamics (MD) simulations that the effect of solutes on dislocation nucleation depends on the distribution of solutes at the grain boundary, and can vary dramatically depending on the solute type. Solutes with a smaller positive size mismatch to the host can be more effective in suppressing dislocation emission from grain boundaries than others that have larger mismatch. In particular, although Ag solutes have a smaller misfit with Cu than Zr solutes, the effect of Ag on the dislocation nucleation from grain boundaries in Cu can be larger than the corresponding effect of Zr. Furthermore, these findings are relevant to the search for optimal solute additions, which can strengthen a nanocrytalline material by suppressing the nucleation of dislocation slip from grain boundaries, while stabilizing it against grain growth.},
doi = {10.1016/j.ijplas.2018.05.009},
url = {https://www.osti.gov/biblio/1481020}, journal = {International Journal of Plasticity},
issn = {0749-6419},
number = C,
volume = 109,
place = {United States},
year = {2018},
month = {5}
}

Journal Article:

Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: The bi-crystal simulation system; the MC swap regions are indicated by dashed lines. The arrows indicate the direction of the applied deformation.

Save / Share:

Works referencing / citing this record:

Development of a semi-empirical potential for simulation of Ni solute segregation into grain boundaries in Ag
journal, September 2018


Dislocation content in random high angle grain boundaries
journal, April 2019


    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.