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Title: Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems

Abstract

Using molecular dynamics simulations and the two-temperature model, we provide in this paper a comparison of the surviving damage from single ion irradiation events in nickel-based alloys, for cascades with and without taking into account the effects of the electronic excitations. We find that including the electronic effects impacts the amount of the resulting damage and the production of isolated defects. Finally, irradiation of nickel–palladium systems results in larger numbers of defects compared to nickel–iron systems, with similar numbers of isolated defects. We additionally investigate the mass effect on the two-temperature model in molecular dynamics simulations of cascades.

Authors:
 [1];  [1];  [2]
+ Show Author Affiliations
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science & Engineering
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Org.:
Univ. of Tennessee, Knoxville, TN (United States)
OSTI Identifier:
1364325
Alternate Identifier(s):
OSTI ID: 1495888
Grant/Contract Number:  
AC05-00OR22725; AC02-05CH11231; DEAC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Scripta Materialia
Additional Journal Information:
Journal Volume: 138; Journal ID: ISSN 1359-6462
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; molecular dynamics; two-temperature model; electronic effects; nickel alloys; cascades

Citation Formats

Zarkadoula, Eva, Samolyuk, German, and Weber, William J. Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems. United States: N. p., 2017. Web. doi:10.1016/j.scriptamat.2017.05.041.
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Zarkadoula, Eva, Samolyuk, German, & Weber, William J. Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems. United States. https://doi.org/10.1016/j.scriptamat.2017.05.041
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Zarkadoula, Eva, Samolyuk, German, and Weber, William J. Sat . "Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems". United States. https://doi.org/10.1016/j.scriptamat.2017.05.041. https://www.osti.gov/servlets/purl/1364325.
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@article{osti_1364325,
title = {Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems},
author = {Zarkadoula, Eva and Samolyuk, German and Weber, William J.},
abstractNote = {Using molecular dynamics simulations and the two-temperature model, we provide in this paper a comparison of the surviving damage from single ion irradiation events in nickel-based alloys, for cascades with and without taking into account the effects of the electronic excitations. We find that including the electronic effects impacts the amount of the resulting damage and the production of isolated defects. Finally, irradiation of nickel–palladium systems results in larger numbers of defects compared to nickel–iron systems, with similar numbers of isolated defects. We additionally investigate the mass effect on the two-temperature model in molecular dynamics simulations of cascades.},
doi = {10.1016/j.scriptamat.2017.05.041},
journal = {Scripta Materialia},
number = ,
volume = 138,
place = {United States},
year = {Sat Jun 10 00:00:00 EDT 2017},
month = {Sat Jun 10 00:00:00 EDT 2017}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1016/j.scriptamat.2017.05.041
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Works referenced in this record:

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    Works referencing / citing this record:

    Domain decomposition of the two-temperature model in dl_poly_ 4
    journal, September 2018

    Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems
    journal, January 2018

    • Zarkadoula, Eva; Samolyuk, German; Weber, William J.
    • AIP Advances, Vol. 8, Issue 1
    • DOI: 10.1063/1.5016536

    Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel
    journal, August 2019

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