Effects of two-temperature model on cascade evolution in Ni and NiFe

Samolyuk, German D.; Xue, Haizhou; Bei, Hongbin; Weber, William J.

doi:10.1016/j.scriptamat.2016.06.028

Effects of two-temperature model on cascade evolution in Ni and NiFe

Journal Article · Tue Jul 05 00:00:00 EDT 2016 · Scripta Materialia

DOI:https://doi.org/10.1016/j.scriptamat.2016.06.028· OSTI ID:1261385

Samolyuk, German D. ^[1]; Xue, Haizhou ^[2]; Bei, Hongbin ^[1]; Weber, William J. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States)

We perform molecular dynamics simulations of Ni ion cascades in Ni and equiatomic NiFe under the following conditions: (a) classical molecular dynamics (MD) simulations without consideration of electronic energy loss, (b) classical MD simulations with the electronic stopping included, and (c) using the coupled two-temperature MD (2T-MD) model that incorporates both the electronic stopping and the electron-phonon interactions. Our results indicate that the electronic effects are more profound in the higher-energy cascades, and that the 2T-MD model results in a smaller amount of surviving damage and smaller defect clusters, while less damage is produced in NiFe than in Ni.

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 Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1261385

Journal Information:: Scripta Materialia, Journal Name: Scripta Materialia Vol. 124; ISSN 1359-6462

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems Zarkadoula, Eva; Samolyuk, German; Weber, William J. AIP Advances, Vol. 8, Issue 1 https://doi.org/10.1063/1.5016536	journal	January 2018
Domain decomposition of the two-temperature model in dl_poly_ 4 Seaton, Michael A.; Todorov, Ilian T.; Daraszewicz, Szymon L. Molecular Simulation https://doi.org/10.1080/08927022.2018.1511902	journal	September 2018
Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys Velişa, G.; Wendler, E.; Zhao, S. Materials Research Letters, Vol. 6, Issue 2 https://doi.org/10.1080/21663831.2017.1410863	journal	December 2017
Effects of electron–phonon coupling on damage accumulation in molecular dynamics simulations of irradiated nickel Zarkadoula, Eva; Samolyuk, German; Weber, William J. Materials Research Letters, Vol. 7, Issue 12 https://doi.org/10.1080/21663831.2019.1659435	journal	August 2019
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Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys [Supplementary Data] Velişa, G.; Wendler, E.; Zhao, S. Figshare-Supplementary information for journal article at DOI: 10.1080/21663831.2017.1410863, 1 .docx file (2.08 MB) https://doi.org/10.6084/m9.figshare.5711458.v1	preprint	December 2017

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