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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:
ORCiD logo [1];  [1]; ORCiD logo [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
  2. 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:
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) (SC-22)
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.
Zarkadoula, Eva, Samolyuk, German, & Weber, William J. Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems. United States. doi:10.1063/1.5016536.
Zarkadoula, Eva, Samolyuk, German, and Weber, William J. Thu . "Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems". United States. doi:10.1063/1.5016536. https://www.osti.gov/servlets/purl/1422617.
@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 = {2018},
month = {1}
}

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Cited by: 4 works
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Works referenced in this record:

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

  • Duvenbeck, A.; Sroubek, Z.; Wucher, A.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 228, Issue 1-4
  • DOI: 10.1016/j.nimb.2004.10.065

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

  • Phillips, Carolyn L.; Magyar, Rudolph J.; Crozier, Paul S.
  • The Journal of Chemical Physics, Vol. 133, Issue 14
  • DOI: 10.1063/1.3481356

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


The nature of high-energy radiation damage in iron
journal, February 2013


Electronic effects in radiation damage simulations
journal, September 2009

  • Duffy, D. M.; Khakshouri, S.; Rutherford, A. M.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 267, Issue 18
  • DOI: 10.1016/j.nimb.2009.06.047

Refractory high-entropy alloys
journal, September 2010


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


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

  • Björkas, C.; Nordlund, K.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 267, Issue 10
  • DOI: 10.1016/j.nimb.2009.03.080

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


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
journal, February 2014


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

  • Zhurkin, Eugeni E.; Kolesnikov, Anton S.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 202
  • DOI: 10.1016/s0168-583x(02)01868-2

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

  • Bonny, G.; Castin, N.; Terentyev, D.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 8
  • DOI: 10.1088/0965-0393/21/8/085004

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

  • Shapiro, M. H.; Tombrello, T. A.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 90, Issue 1-4
  • DOI: 10.1016/0168-583x(94)95596-4

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

  • Jin, K.; Sales, B. C.; Stocks, G. M.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep20159

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

  • Ho, C. Y.; Ackerman, M. W.; Wu, K. Y.
  • Journal of Physical and Chemical Reference Data, Vol. 7, Issue 3
  • DOI: 10.1063/1.555583

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


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

  • Ismail, Ahmed E.; Greathouse, Jeffery A.; Crozier, Paul S.
  • Journal of Physics: Condensed Matter, Vol. 22, Issue 22
  • DOI: 10.1088/0953-8984/22/22/225405

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

  • Todorov, Ilian T.; Smith, William; Trachenko, Kostya
  • Journal of Materials Chemistry, Vol. 16, Issue 20, p. 1911-1918
  • DOI: 10.1039/b517931a

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

  • Duvenbeck, A.; Sroubek, F.; Sroubek, Z.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 225, Issue 4
  • DOI: 10.1016/j.nimb.2004.05.021

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

  • Nakagawa, S. T.; Whitlow, H. J.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 19
  • DOI: 10.1016/j.nimb.2010.06.018

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