Effects of the electron-phonon coupling activation in collision cascades

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

doi:10.1016/j.jnucmat.2017.04.020

Effects of the electron-phonon coupling activation in collision cascades

Journal Article · Thu Apr 20 00:00:00 EDT 2017 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2017.04.020· OSTI ID:1356944

^[1]; Samolyuk, German ^[1]; ^[2]

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

Using the two-temperature (2T-MD) model in molecular dynamics simulations, here we investigate the condition of switching the electronic stopping term off when the electron-phonon coupling is activated in the damage production due to 50 keV Ni ion cascades in Ni and equiatomic NiFe. Additionally we investigate the effect of the electron-phonon coupling activation time in the damage production. We find that the switching condition has negligible effect in the produced damage, while the choice of the activation time of the electron-phonon coupling can affect the amount of surviving damage.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

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

OSTI ID:: 1356944

Alternate ID(s):: OSTI ID: 22689068
OSTI ID: 1459057

Journal Information:: Journal of Nuclear Materials, Journal Name: Journal of Nuclear Materials Journal Issue: C Vol. 490; ISSN 0022-3115

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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A new approach for electronic heat conduction in molecular dynamics simulations Ullah, Mohammad W.; Ponga, Mauricio Modelling and Simulation in Materials Science and Engineering, Vol. 27, Issue 7 https://doi.org/10.1088/1361-651x/ab309f	journal	August 2019

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