Liquid metals are being explored actively as candidates for plasma-facing components (PFCs) in fusion reactors. Recently, Li-Sn alloys have appeared as promising alternatives that could overcome some of the challenges faced by the well-studied liquid Li system, namely, a vapor pressure that limits the operating temperature and a high hydrogen isotope retention. However, only scarce data (experimental or theoretical) are available concerning the performance of Li-Sn alloys, specifically only for the compositions of Li30Sn70 and Li20Sn80, related to their bonding and retention of deuterium (D). Here, we present a comprehensive, first-principles molecular-dynamics study of static and dynamic properties of liquid Li30Sn70 at various D concentrations. We observe the formation of D2 gas bubbles for β in Li30Sn70Dβ greater than 22.5 along with Li segregation towards D2 bubbles. To understand the effect of Sn addition on D retention in Li-Sn alloys, we perform a thermodynamic evaluation of maximum D retention in Li-rich Li-Sn alloys. Overall, this work will provide useful data and guidance in the development of Li-Sn PFCs in fusion reactors.
All Science Journal Classification (ASJC) codes
- Nuclear and High Energy Physics
- Condensed Matter Physics
- deuterium retention
- liquid metals