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

Eva Zarkadoula, German Samolyuk, William J. Weber

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

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.

Original languageEnglish
Pages (from-to)490-495
Number of pages6
JournalMaterials Research Letters
Volume7
Issue number12
DOIs
StatePublished - 2019

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 under Contract DE-AC05-00OR22725. The simulation used resources of the National Energy Research Scientific Computing Center, supported by the Office of Science, US Department of Energy, under Contract No. DEAC02-05CH11231. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).

Keywords

  • Molecular dynamics
  • Nickel
  • electronic effects
  • electron–phonon coupling
  • two-temperature model

Fingerprint

Dive into the research topics of 'Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel'. Together they form a unique fingerprint.

Cite this