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

Eva Zarkadoula; German Samolyuk; William J. Weber

doi:10.1016/j.scriptamat.2017.05.041

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

Eva Zarkadoula, German Samolyuk, William J. Weber

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

Using molecular dynamics simulations and the two-temperature model, we provide 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. 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.

Original language	English
Pages (from-to)	124-129
Number of pages	6
Journal	Scripta Materialia
Volume	138
DOIs	https://doi.org/10.1016/j.scriptamat.2017.05.041
State	Published - Sep 2017

Funding

This work was supported by Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. The simulation used resources of the National Energy Research Scientific Computing Center, supported by the Office of Science, U.S. Department of Energy, under Contract No. DEAC02-05CH11231.

Funders	Funder number
U.S. Department of Energy
Office of Science
Basic Energy Sciences	DEAC02-05CH11231

Keywords

Cascades
Electronic effects
Molecular dynamics
Nickel alloys
Two-temperature model

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10.1016/j.scriptamat.2017.05.041

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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 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. 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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AU - Zarkadoula, Eva

AU - Samolyuk, German

AU - Weber, William J.

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Y1 - 2017/9

N2 - Using molecular dynamics simulations and the two-temperature model, we provide 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. 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.

AB - Using molecular dynamics simulations and the two-temperature model, we provide 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. 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.

KW - Cascades

KW - Electronic effects

KW - Molecular dynamics

KW - Nickel alloys

KW - Two-temperature model

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VL - 138

SP - 124

EP - 129

JO - Scripta Materialia

JF - Scripta Materialia

ER -

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

Abstract

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Keywords

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