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cond-mat.mtrl-sci2025
Strong Crystalline Thermal Insulation Induced by Extended Antibonding States
Ruihuan Cheng, Chen Wang, Niuchang Ouyang +2
Crystalline solids with extreme insulation often exhibit a plateau or even an upward-sloping tail in thermal conductivity above room temperature. Herein, we synthesized a crystalli…
cond-mat.mtrl-sci2024
Revisit Many-body Interaction Heat Current and Thermal Conductivity Calculation in Moment Tensor Potential/LAMMPS Interface
Siu Ting Tai, Chen Wang, Ruihuan Cheng +1
The definition of heat current operator for systems for non-pairwise additive interactions and its impact on related lattice thermal conductivity () via molecular dynamics s…