MLIP trained on DFT enables Green-Kubo calculations showing strong, configuration-dependent thermal conductivity reductions from V_C, Mg_TC, Mg_Si and their clusters in 3C-SiC.
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Thermal Transport in SiC with Intrinsic Defects and Mg Transmutation Products
MLIP trained on DFT enables Green-Kubo calculations showing strong, configuration-dependent thermal conductivity reductions from V_C, Mg_TC, Mg_Si and their clusters in 3C-SiC.