Journal
JOURNAL OF NUCLEAR MATERIALS
Volume 474, Issue -, Pages 113-119Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jnucmat.2016.03.017
Keywords
Threshold displacement energy; Radiation damage; Iron; Molecular dynamics
Funding
- U.S. Department of Energy [DE-NE0000536000]
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The threshold displacement energy (TDE) is the minimum amount of kinetic energy required to displace an atom from its lattice site. The magnitude of the TDE displays significant variance as a function of the crystallographic direction, system temperature and applied strain, among a variety of other factors. It is critically important to determine an accurate value of the TDE in order to calculate the total number of displacements due to a given irradiation condition, and thus to understand the materials response to irradiation. In this study, molecular dynamics simulations have been performed to calculate the threshold displacement energy in body-centered cubic iron as a function of strain and temperature. With applied strain, a decrease of the TDE of up to approximately 14 eV was observed. A temperature increase from 300 K to 500 K can result in an increase of the TDE of up to approximately 9 eV. Published by Elsevier B.V.
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