Moiré-Driven Interfacial Thermal Transport in Twisted Transition Metal Dichalcogenides
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arXiv
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| Auteurs principaux: | , , , , |
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| Format: | Preprint |
| Publié: |
2025
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| _version_ | 1866918005643935744 |
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| author | Jiang, Wenwu Liang, Ting Bu, Hekai Xu, Jianbin Ouyang, Wengen |
| author_facet | Jiang, Wenwu Liang, Ting Bu, Hekai Xu, Jianbin Ouyang, Wengen |
| contents | Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within moiré superlattices. This reconstruction redistributes interlayer stacking modes, reducing high-efficiency thermal transport regions and softening the transverse acoustic phonon modes as the twist angle increases. We propose a general theoretical expression to capture this behavior, validated against non-equilibrium molecular dynamics simulations across both homo- and heterogeneous twisted TMDs structures, as well as homogeneous twisted graphene and hexagonal boron nitride stacks. Our model demonstrates that the interfacial thermal conductance (ITC) scales with the twist angle ($θ$) as $\ln{\left(\text{ITC}\right)} \propto e^{-\sqrtθ}$. These findings advance the understanding of twist-engineered interfacial thermal transport, offering design principles for optimizing thermal management in devices based on van der Waals layered materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2503_09141 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Moiré-Driven Interfacial Thermal Transport in Twisted Transition Metal Dichalcogenides Jiang, Wenwu Liang, Ting Bu, Hekai Xu, Jianbin Ouyang, Wengen Materials Science Mesoscale and Nanoscale Physics Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within moiré superlattices. This reconstruction redistributes interlayer stacking modes, reducing high-efficiency thermal transport regions and softening the transverse acoustic phonon modes as the twist angle increases. We propose a general theoretical expression to capture this behavior, validated against non-equilibrium molecular dynamics simulations across both homo- and heterogeneous twisted TMDs structures, as well as homogeneous twisted graphene and hexagonal boron nitride stacks. Our model demonstrates that the interfacial thermal conductance (ITC) scales with the twist angle ($θ$) as $\ln{\left(\text{ITC}\right)} \propto e^{-\sqrtθ}$. These findings advance the understanding of twist-engineered interfacial thermal transport, offering design principles for optimizing thermal management in devices based on van der Waals layered materials. |
| title | Moiré-Driven Interfacial Thermal Transport in Twisted Transition Metal Dichalcogenides |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2503.09141 |