Supplementary Material

Name: Supplementary Material
Published: 2024-06-06T11:51:22+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: local chemical ordering, thermal transport

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posted on 2024-06-06, 11:51 authored by Shuang Lyu, Ruihuan Cheng, Haiqi Li, Yue Chen

The Supplementary material includes detailed information about density functional theory calculations, potential construction and validation, and convergence tests for molecular dynamics simulations.