Supplementary materials for First-principles study on segregation anisotropy of grain boundaries in Pt-Au alloys
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posted on 2025-02-06, 13:04 authored by Xin Yao, Ya-Fang Guo, wei Li, Kalevi Kokko, Changle Li, Levente VitosSupplementary Material for the convergence test, ECP calculations, Gibbs energy polynomial fit, and volume elastic effect calculations.
