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Title: Inert gas bubbles in bcc Fe
Authors: Gai, Xiao
Smith, Roger
Kenny, Steven D.
Keywords: He
Xe bubbles
Radiation damage
Molecular Dynamics
Energy barriers
Issue Date: 2016
Publisher: © The Authors. Published by Elsevier
Citation: GAI, X, SMITH, R. and KENNY, S.D., 2016. Inert gas bubbles in bcc Fe. Journal of Nuclear Materials, 47, pp. 84-89.
Abstract: The properties of inert gas bubbles in bcc Fe is examined using a combination of static energy minimisation, molecular dynamics and barrier searching methods with empirical potentials. Static energy minimisation techniques indicate that for small Ar and Xe bubbles, the preferred gas to vacancy ratio at 0K is about 1:1 for Ar and varies between 0.5:1 and 0.9:1 for Xe. In contrast to interstitial He atoms and small He interstitial clusters , which are highly mobile in the lattice, Ar and Xe atoms prefer to occupy substitutional sites and any interstitials present in the lattice soon displace Fe atoms and become substitutional. If a pre-existing bubble is present then there is a capture radius around a bubble which extends up to the 6th neighbour position. Collision cascades can also enlarge an existing bubble by the capture of vacancies. Ar and Xe can diffuse through the lattice through vacancy driven mechanisms but with relatively high energy barriers of 1.8 and 2.0 eV respectively. This indicates that Ar and Xe bubbles are much harder to form than bubbles of He and that such gases produced in a nuclear reaction would more likely be dispersed at substitutional sites without the help of increased temperature or radiation-driven mechanisms.
Description: This is an Open Access Article. It is published by Elsevier under the Creative Commons Attribution 4.0 Unported Licence (CC BY). Full details of this licence are available at: http://creativecommons.org/licenses/by/4.0/
Sponsor: The main part of the work was carried out as part of the EPSRC funded PROMINENT project, Performance and Reliability of Metallic Materials for Nuclear Fission Power Generation, grant EP/I003274/1.
Version: Published
DOI: 10.1016/j.jnucmat.2015.11.057
URI: https://dspace.lboro.ac.uk/2134/19943
Publisher Link: http://dx.doi.org/10.1016/j.jnucmat.2015.11.057
ISSN: 1873-4820
Appears in Collections:Published Articles (Materials)
Published Articles (Maths)

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