Studies of lithiumization and boronization of ATJ graphite PFCs in NSTX-U

This work examines the effect of boron and lithium conditioned ATJ graphite surface bombarded by low-energy deuterium atoms on the deuterium retention and chemical sputtering. We use atomistic simulations and compare them with experimental in situ studies with x-ray photoelectron spectroscopy (XPS), to understand the effects of deuterium irradiation on the chemistry in lithiated, boronized and oxidized amorphous carbon surfaces. Our results are validated qualitatively by comparison with experiments and with quantum classical molecular dynamic simulations. We explain the important role of oxygen in D retention for lithiated surfaces and the suppression of oxygen role by boron in boronized surfaces. The calculated increase of the oxygen role in deuterium uptake after D accumulation in B–C–O surface configuration is discussed. The sputtering yield per low energy D impact is significantly smaller in boronized than in lithiated surfaces.