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Title: Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel

Abstract

The role of the electronic system in high energy displacement cascades is explored. The energy exchange between the electronic and the atomic subsystem is described by the electron–phonon coupling. The electronic effects on the damage accumulation due to 100 keV Ni ion cascades in nickel, a prototype system to a large group of nickel-based high entropy alloys, are investigated for overlapping cascades. It is shown that the energy exchange between the two subsystems affects microstructure evolution, resulting in the formation of smaller clusters and more isolated defects. This effect is more significant for the vacancy cluster formation and size distribution.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1559671
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Materials Research Letters
Additional Journal Information:
Journal Volume: 7; Journal Issue: 12; Journal ID: ISSN 2166-3831
Publisher:
Taylor and Francis
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Zarkadoula, Eva, Samolyuk, German D., and Weber, William. Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel. United States: N. p., 2019. Web. doi:10.1080/21663831.2019.1659435.
Zarkadoula, Eva, Samolyuk, German D., & Weber, William. Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel. United States. doi:10.1080/21663831.2019.1659435.
Zarkadoula, Eva, Samolyuk, German D., and Weber, William. Thu . "Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel". United States. doi:10.1080/21663831.2019.1659435. https://www.osti.gov/servlets/purl/1559671.
@article{osti_1559671,
title = {Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel},
author = {Zarkadoula, Eva and Samolyuk, German D. and Weber, William},
abstractNote = {The role of the electronic system in high energy displacement cascades is explored. The energy exchange between the electronic and the atomic subsystem is described by the electron–phonon coupling. The electronic effects on the damage accumulation due to 100 keV Ni ion cascades in nickel, a prototype system to a large group of nickel-based high entropy alloys, are investigated for overlapping cascades. It is shown that the energy exchange between the two subsystems affects microstructure evolution, resulting in the formation of smaller clusters and more isolated defects. This effect is more significant for the vacancy cluster formation and size distribution.},
doi = {10.1080/21663831.2019.1659435},
journal = {Materials Research Letters},
number = 12,
volume = 7,
place = {United States},
year = {2019},
month = {4}
}

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