Abstract
ITER divertor is built with tungsten monoblocks that contain a tungsten–copper interface. There, hydrogen isotopes could possibly accumulate leading to safety and mechanical issues. As a consequence, the tungsten–copper interface has to be modeled and characterized, which is here performed at the atomic-scale by means of density functional theory calculations. In order to build the model, we selected the tungsten and copper orientations that minimizes the mismatch between both networks; this results in the W(001)/Cubcc(001) and W(001)/Cufcc(001)R45° interfaces. After relaxation, both systems converge to the same Wbcc(001)/Cuhcp(112̄0) structure, which is consistent with previous experimental observations. Such reconstruction of the copper network has the effect of changing the charge density in the copper part of the interface, with possible effects on hydrogen interaction.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.