Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems

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

doi:10.1063/1.5016536

Title: Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems

Abstract

We use the two-temperature model in molecular dynamic simulations of 150 keV Ni ion cascades in nickel and nickel-based alloys to investigate the effect of the energy exchange between the atomic and the electronic systems during the primary stages of radiation damage. We find that the electron-phonon interactions result in a smaller amount of defects and affect the cluster formation, resulting in smaller clusters. These results indicate that ignoring the local heating due to the electrons results in the overestimation of the amount of damage and the size of the defect clusters. A comparison of the average defect production to the Norgett-Robinson-Torrens (NRT) prediction over a range of energies is provided.

Authors:

^[1]; Samolyuk, German ^[1];

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

Publication Date:: Thu Jan 18 00:00:00 EST 2018

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)

OSTI Identifier:: 1422617

Alternate Identifier(s):: OSTI ID: 1417422

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

Resource Type:: Accepted Manuscript

Journal Name:: AIP Advances

Additional Journal Information:: Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2158-3226

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; transition; chemical kinetics; radiation damage; elementary particle interactions; materials analysis

Citation Formats


                    Zarkadoula, Eva, Samolyuk, German, and Weber, William J. Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems.  United States: N. p., 2018. 
Web.  doi:10.1063/1.5016536.

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                    Zarkadoula, Eva, Samolyuk, German, & Weber, William J. Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems.  United States.  https://doi.org/10.1063/1.5016536

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                    Zarkadoula, Eva, Samolyuk, German, and Weber, William J. Thu .  
"Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems".  United States.  https://doi.org/10.1063/1.5016536.  https://www.osti.gov/servlets/purl/1422617.

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@article{osti_1422617,

  title        = {Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems},

  author       = {Zarkadoula, Eva and Samolyuk, German and Weber, William J.},

  abstractNote = {We use the two-temperature model in molecular dynamic simulations of 150 keV Ni ion cascades in nickel and nickel-based alloys to investigate the effect of the energy exchange between the atomic and the electronic systems during the primary stages of radiation damage. We find that the electron-phonon interactions result in a smaller amount of defects and affect the cluster formation, resulting in smaller clusters. These results indicate that ignoring the local heating due to the electrons results in the overestimation of the amount of damage and the size of the defect clusters. A comparison of the average defect production to the Norgett-Robinson-Torrens (NRT) prediction over a range of energies is provided.},

  doi          = {10.1063/1.5016536},

  journal      = {AIP Advances},

  number       = 1,

  volume       = 8,

  place        = {United States},

  year         = {Thu Jan 18 00:00:00 EST 2018},

  month        = {Thu Jan 18 00:00:00 EST 2018}

}

Copy to clipboard

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Works referencing / citing this record:

Domain decomposition of the two-temperature model in dl_poly_ 4
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Seaton, Michael A.; Todorov, Ilian T.; Daraszewicz, Szymon L.
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Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel
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Title: Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems

Abstract

Citation Formats

Electron–phonon coupling in Ni-based binary alloys with application to displacement cascade modeling journal, April 2016

Electronic excitation in atomic collision cascades journal, January 2005

Effect of the interatomic Si-Si-potential on vacancy production during ion implantation of Si journal, January 1994

Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems journal, September 2017

Influence of ion-electron interaction on the formation mechanism of depleted zones in displacement cascades in metals journal, November 1994

A two-temperature model of radiation damage in α-quartz journal, October 2010

Effect of Nb addition on the microstructure and properties of AlCoCrFeNi high-entropy alloy journal, January 2012

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Electronic effects in radiation damage simulations journal, September 2009

Refractory high-entropy alloys journal, September 2010

Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures journal, December 2014

Influence of electronic stopping on sputtering induced by cluster impact on metallic targets journal, April 2009

Effects of two-temperature model on cascade evolution in Ni and NiFe journal, November 2016

Defect production in tungsten: A comparison between field-ion microscopy and molecular-dynamics simulations journal, August 1998

Vibrational Properties of Imperfect Crystals with Large Defect Concentrations journal, April 1967

Assessment of the relation between ion beam mixing, electron–phonon coupling and damage production in Fe journal, May 2009

Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys journal, April 2017

Microstructures and properties of high-entropy alloys journal, April 2014

High-throughput thermal conductivity measurements of nickel solid solutions and the applicability of the Wiedemann–Franz law journal, September 2007

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Electronic effects in high-energy radiation damage in iron journal, February 2014

Atomic scale modelling of Al and Ni() surface erosion under cluster impact journal, April 2003

Progress in the development of a molecular dynamics code for high-energy cascade studies journal, November 1990

The effect of electron–ion interactions on radiation damage simulations journal, November 2007

Electronic effects in high-energy radiation damage in tungsten journal, March 2015

Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy journal, October 2013

Molecular dynamics simulations of inelastic energy loss effects in sputtering journal, May 1994

Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity journal, February 2016

Thermal conductivity of ten selected binary alloy systems journal, July 1978

An improved model of interatomic forces for large simulations of metals containing excited electrons journal, September 2010

Coherent-Potential Model of Substitutional Disordered Alloys journal, April 1967

Electron–ion coupling effects on simulations of radiation damage in pyrochlore waste forms journal, May 2010

A proposed method of calculating displacement dose rates journal, August 1975

DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism journal, January 2006

Including the effects of electronic stopping and electron–ion interactions in radiation damage simulations journal, December 2006

Computer simulation of low-energy electronic excitations in atomic collision cascades journal, October 2004

A predictive model for the electronic stopping force for molecular dynamic simulation (I) journal, October 2010

A fracture-resistant high-entropy alloy for cryogenic applications journal, September 2014

Microstructure and wear behavior of AlxCo1.5CrFeNi1.5Tiy high-entropy alloys journal, September 2011

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

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

Electron–phonon coupling in Ni-based binary alloys with application to displacement cascade modeling
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Electronic excitation in atomic collision cascades
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Effect of the interatomic Si-Si-potential on vacancy production during ion implantation of Si
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Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems
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Influence of ion-electron interaction on the formation mechanism of depleted zones in displacement cascades in metals
journal, November 1994

A two-temperature model of radiation damage in α-quartz
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Effect of Nb addition on the microstructure and properties of AlCoCrFeNi high-entropy alloy
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The nature of high-energy radiation damage in iron
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Electronic effects in radiation damage simulations
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Refractory high-entropy alloys
journal, September 2010

Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures
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Influence of electronic stopping on sputtering induced by cluster impact on metallic targets
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Effects of two-temperature model on cascade evolution in Ni and NiFe
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Defect production in tungsten: A comparison between field-ion microscopy and molecular-dynamics simulations
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Vibrational Properties of Imperfect Crystals with Large Defect Concentrations
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Assessment of the relation between ion beam mixing, electron–phonon coupling and damage production in Fe
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Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys
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Microstructures and properties of high-entropy alloys
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High-throughput thermal conductivity measurements of nickel solid solutions and the applicability of the Wiedemann–Franz law
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Role of electron-phonon coupling on collision cascade development in Ni, Pd, and Pt
journal, June 1998

Electronic effects in high-energy radiation damage in iron
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Atomic scale modelling of Al and Ni() surface erosion under cluster impact
journal, April 2003

Progress in the development of a molecular dynamics code for high-energy cascade studies
journal, November 1990

The effect of electron–ion interactions on radiation damage simulations
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Electronic effects in high-energy radiation damage in tungsten
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Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy
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Molecular dynamics simulations of inelastic energy loss effects in sputtering
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Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity
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Thermal conductivity of ten selected binary alloy systems
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An improved model of interatomic forces for large simulations of metals containing excited electrons
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Electron–ion coupling effects on simulations of radiation damage in pyrochlore waste forms
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A proposed method of calculating displacement dose rates
journal, August 1975

DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism
journal, January 2006

Including the effects of electronic stopping and electron–ion interactions in radiation damage simulations
journal, December 2006

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