most citedPredicting the Thermal Conductivity Collapse in SWCNT Bundles: The Interplay of Symmetry Breaking and Scattering Revealed by Machine-Learning-Driven Quantum Transport

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cond-mat.mes-hall2025★ 1 cited

Predicting the Thermal Conductivity Collapse in SWCNT Bundles: The Interplay of Symmetry Breaking and Scattering Revealed by Machine-Learning-Driven Quantum Transport

Feng Tao, Xiaoliang Zhang, Dawei Tang +2

We combine machine learning (ML)-based neuroevolution potentials (NEP) with anharmonic lattice dynamics and the Boltzmann transport equation (ALD-BTE) to achieve a quantitative and…