Molecular dynamics simulation of beryllium oxide irradiated by deuterium ions: sputtering and reflection

Show full item record



Permalink

http://hdl.handle.net/10138/300407

Citation

Hodille , E A , Byggmästar , J , Safi , E & Nordlund , K 2019 , ' Molecular dynamics simulation of beryllium oxide irradiated by deuterium ions: sputtering and reflection ' , Journal of Physics. Condensed Matter , vol. 31 , no. 18 , 185001 . https://doi.org/10.1088/1361-648X/ab04d7

Title: Molecular dynamics simulation of beryllium oxide irradiated by deuterium ions: sputtering and reflection
Author: Hodille, E. A.; Byggmästar, J.; Safi, E.; Nordlund, K.
Contributor: University of Helsinki, Materials Physics
University of Helsinki, Materials Physics
University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
Date: 2019-05-08
Language: eng
Number of pages: 17
Belongs to series: Journal of Physics. Condensed Matter
ISSN: 0953-8984
URI: http://hdl.handle.net/10138/300407
Abstract: The sputtering and reflection properties of wurtzite beryllium oxide (BeO) subjected to deuterium (D) ions bombardment at 300 K with ion energy between 10 eV and 200 eV is studied by classical molecular dynamics. Cumulative irradiations of wurtzite BeO show a D concentration threshold above which an 'unphysical dramatic' sputtering is observed. From the cumulative irradiations, simulation cells with different D concentrations are used to run non-cumulative irradiations at different concentrations. Using a D concentration close to the experimentally determined saturation concentration (0.12 atomic fraction), the simulations are able to reproduce accurately the experimental sputtering yield of BeO materials. The processes driving the sputtering of beryllium (Be) and oxygen (O) atoms as molecules are subsequently determined. At low irradiation energy, between 10 eV and 80 eV, swift chemical sputtering (SCS) is dominant and produces mostly ODz molecules. At high energy, the sputtered molecules are mostly BexOy molecules (mainly BeO dimer). Four different processes are associated to the formation of such molecules: the physical sputtering of BeO dimer, the delayed SCS not involving D ions and the detachment-induced sputtering. The physical sputtering of BeO dimer can be delayed if the sputtering event implies two interactions with the incoming ion (first interaction in its way in the material, the other in its way out if it is backscattered). The detachment-induced sputtering is a characteristic feature of the 'dramatic' sputtering and is mainly observed when the concentration of D is close to the threshold leading to this sputtering regime.
Subject: ATOMISTIC SIMULATIONS
BEO
DIFFUSION
HYDROGEN
IMPLANTATION
JET
MODEL
RETENTION
beryllium oxide
deuterium
molecular dynamics
plasma-wall interactions
114 Physical sciences
Rights:


Files in this item

Total number of downloads: Loading...

Files Size Format View
paper_revision.pdf 6.998Mb PDF View/Open

This item appears in the following Collection(s)

Show full item record