Alloying effects on low-energy recoil events in concentrated solid-solution alloys
Abstract
Alloying elements at low-concentrations into pure metals is usually adopted to improve their mechanical properties and irradiation performance. Recently developed single-phase concentrated solid-solution alloys (CSAs) comprised of two or more elements, all at high concentrations, have demonstrated good radiation resistance. CSAs are characterized by their extreme disordered states that arise from the random arrangement of different elements and accompanied random local lattice distortions. In this work, we investigate low-energy recoil events in Ni0.5X0.5 (X = Fe and Co) CSAs and Ni0.8X0.2 (X = Fe, Co, Cr, and Pd) CSAs using ab initio molecular dynamics simulations to understand the effects of different disorder on defect production in CSAs. The threshold displacement energies are determined along three high-symmetric directions by randomly choosing independent primary knock-on atoms in each direction. As expected, the threshold energies in Ni and its CSAs are anisotropic, with the highest values found in the [111] direction. The calculated threshold energies of Fe in NiFe are smaller than those in NiCo and Ni, especially along the [111] direction. An inspection of the atomic trajectories inside the collision cascade reveals that the effect of chemical disorder outweighs the site-to-site lattice distortions in determining the threshold energies. Especially, different interaction propertiesmore »
- Authors:
-
[3];
[4];
[4]
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); City Univ. of Hong Kong (China)
- Shanghai Univ. (China)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1761648
- Alternate Identifier(s):
- OSTI ID: 1579791
- Grant/Contract Number:
- AC05-00OR22725; AC05–000R22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Nuclear Materials
- Additional Journal Information:
- Journal Volume: 529; Journal ID: ISSN 0022-3115
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; low-energy recoil events; ab initio molecular dynamics; threshold displacement energy; concentration solid solution alloys
Citation Formats
Zhao, Shijun, Liu, Bin, Samolyuk, German D., Zhang, Yanwen, and Weber, William. Alloying effects on low-energy recoil events in concentrated solid-solution alloys. United States: N. p., 2019.
Web. doi:10.1016/j.jnucmat.2019.151941.
Zhao, Shijun, Liu, Bin, Samolyuk, German D., Zhang, Yanwen, & Weber, William. Alloying effects on low-energy recoil events in concentrated solid-solution alloys. United States. https://doi.org/10.1016/j.jnucmat.2019.151941
Zhao, Shijun, Liu, Bin, Samolyuk, German D., Zhang, Yanwen, and Weber, William. Fri .
"Alloying effects on low-energy recoil events in concentrated solid-solution alloys". United States. https://doi.org/10.1016/j.jnucmat.2019.151941. https://www.osti.gov/servlets/purl/1761648.
@article{osti_1761648,
title = {Alloying effects on low-energy recoil events in concentrated solid-solution alloys},
author = {Zhao, Shijun and Liu, Bin and Samolyuk, German D. and Zhang, Yanwen and Weber, William},
abstractNote = {Alloying elements at low-concentrations into pure metals is usually adopted to improve their mechanical properties and irradiation performance. Recently developed single-phase concentrated solid-solution alloys (CSAs) comprised of two or more elements, all at high concentrations, have demonstrated good radiation resistance. CSAs are characterized by their extreme disordered states that arise from the random arrangement of different elements and accompanied random local lattice distortions. In this work, we investigate low-energy recoil events in Ni0.5X0.5 (X = Fe and Co) CSAs and Ni0.8X0.2 (X = Fe, Co, Cr, and Pd) CSAs using ab initio molecular dynamics simulations to understand the effects of different disorder on defect production in CSAs. The threshold displacement energies are determined along three high-symmetric directions by randomly choosing independent primary knock-on atoms in each direction. As expected, the threshold energies in Ni and its CSAs are anisotropic, with the highest values found in the [111] direction. The calculated threshold energies of Fe in NiFe are smaller than those in NiCo and Ni, especially along the [111] direction. An inspection of the atomic trajectories inside the collision cascade reveals that the effect of chemical disorder outweighs the site-to-site lattice distortions in determining the threshold energies. Especially, different interaction properties between elements due to their different electronic structures are responsible for the observed different threshold energies. Finally, the local environment dependence of threshold energies suggests that local elemental arrangement can be used to understand and predict threshold energies in disordered alloys.},
doi = {10.1016/j.jnucmat.2019.151941},
journal = {Journal of Nuclear Materials},
number = ,
volume = 529,
place = {United States},
year = {Fri Dec 06 00:00:00 EST 2019},
month = {Fri Dec 06 00:00:00 EST 2019}
}
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