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Helium impurities and interactions in lithium

Here we investigate helium interactions with lithium using density functional theory. Like other body-centered cubic (bcc) metals, the lowest-energy site for interstitial helium is a tetrahedral site. However, helium in lithium shows a higher substitutional formation energy than either the tetrahedral or octahedral interstitial formation energies, which is unique. The calculated migration energies of helium in lithium are also very low ( ~ 1 meV), an order of magnitude lower than those in other bcc metals. We find an increase in the binding energy to a vacancy as the number of helium atoms bound to it increases. The extremely low migration energies suggest that helium transport in lithium will be very fast.

36 MATERIALS SCIENCE↗

High temperature oxidation of steels in CO 2 containing impurities

Future power systems require steels that resist corrosion in high temperature CO 2 containing combustion products/impurities. Here we evaluate the corrosion behavior of several commercial steels exposed to 95% CO 2 -4 % H 2 O-1 % O 2 , with/without 0.1 % SO 2 , at 550 °C and 1 atm. High-Cr steels formed thin Cr-rich oxides and low-Cr steels thick Fe-rich oxides during SO 2 -free exposures. Additions of SO 2 had little effect on low-Cr steels but enhanced corrosion of high-Cr steels, where S within the chromia scale led to its failure and subsequent Fe-rich oxide nodule growth. Ultimately, the results are rationalized by considering the thermodynamic and kinetic factors controlling the reaction.

36 MATERIALS SCIENCE↗