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Title: Reduction of defect generation and development of sinks at nanocluster boundary in oxide dispersion-strengthened steel

Abstract

The radiation resistance mechanisms of nanoclusters (NCs) in oxide dispersion-strengthened (ODS) steels have been investigated. Molecular dynamics simulation has been used to investigate defect generation during the primary damage state of a displacement cascade in ODS steels for NCs of various radii and a range of primary knock-on atom (PKA) energies. Y2O3 NCs considerably enhance the radiation resistance of ODS steels by reducing the peak defect generation during the cascade within the Fe matrix. The NC also affects the morphology of the collision cascades, depending on PKA energy. At lower energies, the NC’s outer circumference act as a cessation point forming a dampened shockwave compared to a pure Fe system. At higher energies, the PKA energy is able to transfer through the NC, thus causing two smaller shockwaves in the Fe matrix. Along with the alteration of the cascade morphology, the NC boundary acts as a strong defect sink to absorb defects and defect clusters, leading to significant recombination of interstitials and vacancies away from the NC. The interfacial energy of the NCs with the Fe matrix increases with increasing diameter of the oxide NCs. The evolution of the NC is tracked through the primary damage state of a cascade,more » and the effects of ballistic dissolution play a key role in this evolution, most evident in the 2 nm NC.« less

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Nuclear Engineering and Radiological Sciences
  2. Texas A & M Univ., College Station, TX (United States)
Publication Date:
Research Org.:
Texas A & M Univ., College Station, TX (United States). Texas A & M Engineering Experiment Station
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1613875
Alternate Identifier(s):
OSTI ID: 1568894
Grant/Contract Number:  
NE0008297
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 126; Journal Issue: 8; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Physics; Crystallographic defects; Equilibrium thermodynamics; Oxides; Shock waves; Alloys; Nanoclusters; Molecular dynamics

Citation Formats

Higgins, M. P., Peng, Q., Shao, L., and Gao, F. Reduction of defect generation and development of sinks at nanocluster boundary in oxide dispersion-strengthened steel. United States: N. p., 2019. Web. doi:10.1063/1.5102090.
Higgins, M. P., Peng, Q., Shao, L., & Gao, F. Reduction of defect generation and development of sinks at nanocluster boundary in oxide dispersion-strengthened steel. United States. https://doi.org/10.1063/1.5102090
Higgins, M. P., Peng, Q., Shao, L., and Gao, F. Wed . "Reduction of defect generation and development of sinks at nanocluster boundary in oxide dispersion-strengthened steel". United States. https://doi.org/10.1063/1.5102090. https://www.osti.gov/servlets/purl/1613875.
@article{osti_1613875,
title = {Reduction of defect generation and development of sinks at nanocluster boundary in oxide dispersion-strengthened steel},
author = {Higgins, M. P. and Peng, Q. and Shao, L. and Gao, F.},
abstractNote = {The radiation resistance mechanisms of nanoclusters (NCs) in oxide dispersion-strengthened (ODS) steels have been investigated. Molecular dynamics simulation has been used to investigate defect generation during the primary damage state of a displacement cascade in ODS steels for NCs of various radii and a range of primary knock-on atom (PKA) energies. Y2O3 NCs considerably enhance the radiation resistance of ODS steels by reducing the peak defect generation during the cascade within the Fe matrix. The NC also affects the morphology of the collision cascades, depending on PKA energy. At lower energies, the NC’s outer circumference act as a cessation point forming a dampened shockwave compared to a pure Fe system. At higher energies, the PKA energy is able to transfer through the NC, thus causing two smaller shockwaves in the Fe matrix. Along with the alteration of the cascade morphology, the NC boundary acts as a strong defect sink to absorb defects and defect clusters, leading to significant recombination of interstitials and vacancies away from the NC. The interfacial energy of the NCs with the Fe matrix increases with increasing diameter of the oxide NCs. The evolution of the NC is tracked through the primary damage state of a cascade, and the effects of ballistic dissolution play a key role in this evolution, most evident in the 2 nm NC.},
doi = {10.1063/1.5102090},
journal = {Journal of Applied Physics},
number = 8,
volume = 126,
place = {United States},
year = {Wed Aug 28 00:00:00 EDT 2019},
month = {Wed Aug 28 00:00:00 EDT 2019}
}

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