Molecular dynamics studies of displacement cascades in Fe-Y{sub 2}TiO{sub 5} system

The effect of displacement cascade on Fe-Y{sub 2}TiO{sub 5} bilayer is studied using classical molecular dynamics simulations. Different PKA species – Fe, Y, Ti and O – with the same PKA energy of 8 keV are used to produce displacement cascades that encompass the interface. It is shown that Ti atom...

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Bibliographic Details
Published in:AIP conference proceedings 2016-05, Vol.1731 (1)
Main Authors: Dholakia, Manan, Chandra, Sharat, Jaya, S. Mathi
Format: Article
Language:English
Subjects:
ALLOYS
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
INTERFACES
IRON
KEV RANGE
LAYERS
MOLECULAR DYNAMICS METHOD
SIMULATION
TITANATES
YTTRIUM COMPOUNDS
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Summary:The effect of displacement cascade on Fe-Y{sub 2}TiO{sub 5} bilayer is studied using classical molecular dynamics simulations. Different PKA species – Fe, Y, Ti and O – with the same PKA energy of 8 keV are used to produce displacement cascades that encompass the interface. It is shown that Ti atom has the highest movement in the ballistic regime of cascades which can lead to Ti atoms moving out of the oxide clusters into the Fe matrix in ODS alloys.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.4948212