most citedRevisit Many-body Interaction Heat Current and Thermal Conductivity Calculation in Moment Tensor Potential/LAMMPS Interface

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cond-mat.mtrl-sci2024★ 12 cited

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…