First-principles study on thermal expansion of W-Re sigma and chi phases
We investigate how the Re content affects the coefficient of thermal expansion (CTE) of the non-stoichiometric W-based sigma and chi phases, forming upon neutron irradiation of W, to explore and quantify its mismatch between precipitates (W-Re) and matrix (W). To this end, we have conducted first-principles calculations using two approaches: the Debye-Grüneisen (DG) model and the quasi-harmonic ap
