Electronic effects in high-energy radiation damage in tungsten

Zarkadoula, Eva; Duffy, Dorothy M.; Nordlund, Kai; Seaton, M. A.; Todorov, I. T.; Weber, William J.; Trachenko, Kostya

doi:10.1088/0953-8984/27/13/135401

Electronic effects in high-energy radiation damage in tungsten

Journal Article · Fri Mar 13 00:00:00 EDT 2015 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/0953-8984/27/13/135401· OSTI ID:1265368

Zarkadoula, Eva ^[1]; Duffy, Dorothy M. ^[2]; Nordlund, Kai ^[3]; Seaton, M. A. ^[4]; Todorov, I. T. ^[5]; Weber, William J. ^[6]; Trachenko, Kostya ^[7]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Queen Mary University of London, London (United Kingdom)
Univ. College London, Bloomsbury (United Kingdom). London Centre for Nanotechnology, Department of Physics and Astronomy
Univ. of Helsinki (Finland)
STFC Daresbury Laboratory, Daresbury, Warrington, Cheshire (United Kingdom). Scientific Computing Department
STFC Daresbury Laboratory, Daresbury, Warrington, Cheshire (United Kingdom). Scientific Computing Department
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Department of Materials Science and Engineering
Queen Mary University of London, London (United Kingdom)

Even though the effects of the electronic excitations during high-energy radiation damage processes are not currently understood, it is shown that their role in the interaction of radiation with matter is important. We perform molecular dynamics simulations of high-energy collision cascades in bcc-tungsten using the coupled two-temperature molecular dynamics (2T-MD) model that incorporates both the effects of electronic stopping and electron–phonon interaction. We compare the combination of these effects on the induced damage with only the effect of electronic stopping, and conclude in several novel insights. In the 2T-MD model, the electron–phonon coupling results in less damage production in the molten region and in faster relaxation of the damage at short times. We show these two effects lead to a significantly smaller amount of the final damage at longer times.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1265368

Alternate ID(s):: OSTI ID: 22502838

Journal Information:: Journal of Physics. Condensed Matter, Journal Name: Journal of Physics. Condensed Matter Journal Issue: 13 Vol. 27; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Atomistic Modeling of Radiation Damage in Metallic Alloys Becquart, Charlotte S.; De Backer, Andrée; Domain, Christophe Handbook of Mechanics of Materials https://doi.org/10.1007/978-981-10-6855-3_21-1	book	January 2018
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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
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