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

Zarkadoula, Eva; Samolyuk, German; Weber, William J.

doi:10.1016/j.scriptamat.2017.05.041

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

Journal Article · Sat Jun 10 00:00:00 EDT 2017 · Scripta Materialia

DOI:https://doi.org/10.1016/j.scriptamat.2017.05.041· OSTI ID:1364325

Zarkadoula, Eva ^[1]; Samolyuk, German ^[1]; Weber, William J. ^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
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

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.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Contributing Organization:: Univ. of Tennessee, Knoxville, TN (United States)

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231; DEAC02-05CH11231

OSTI ID:: 1364325

Alternate ID(s):: OSTI ID: 1495888

Journal Information:: Scripta Materialia, Vol. 138; ISSN 1359-6462

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 7 works

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Cited By (3)

Domain decomposition of the two-temperature model in dl_poly_ 4 Seaton, Michael A.; Todorov, Ilian T.; Daraszewicz, Szymon L. Molecular Simulation https://doi.org/10.1080/08927022.2018.1511902	journal	September 2018
Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems Zarkadoula, Eva; Samolyuk, German; Weber, William J. AIP Advances, Vol. 8, Issue 1 https://doi.org/10.1063/1.5016536	journal	January 2018
Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel Zarkadoula, Eva; Samolyuk, German; Weber, William J. Materials Research Letters, Vol. 7, Issue 12 https://doi.org/10.1080/21663831.2019.1659435	journal	August 2019

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

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