6 papers
Strain and Twist Engineering of Interfacial Thermal Transport in Homo- and Hetero-Interfaces of Graphene and Hexagonal Boron Nitride
Wenwu Jiang, Huasong Qin, Yilun Liu +3
A dramatic difference between the vertical thermal conductance response of homogeneous and heterogeneous graphene/h-BN interfaces to external mechanical perturbations, is predicted…
Modular hybrid machine learning and physics-based potentials for scalable modeling of van der Waals heterostructures
Hekai Bu, Wenwu Jiang, Penghua Ying +3
Accurately modeling the structural reconstruction and thermodynamic behavior of van der Waals (vdW) heterostructures remains a significant challenge due to the limitations of conve…
PYSED: A tool for extracting kinetic-energy-weighted phonon dispersion and lifetime from molecular dynamics simulations
Ting Liang, Wenwu Jiang, Ke Xu +4
Machine learning potential-driven molecular dynamics (MD) simulations have significantly enhanced the predictive accuracy of thermal transport properties across diverse materials.…
Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials
Wenwu Jiang, Hekai Bu, Ting Liang +4
Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW…
Moiré-Driven Interfacial Thermal Transport in Twisted Transition Metal Dichalcogenides
Wenwu Jiang, Ting Liang, Hekai Bu +2
Cross-plane thermal conductivity in homogeneous transition metal dichalcogenides (TMDs) exhibits a strong dependence on twist angle, originating from atomic reconstruction within m…
Probing the ideal limit of interfacial thermal conductance in two-dimensional van der Waals heterostructures
Ting Liang, Ke Xu, Penghua Ying +9
Probing the ideal limit of interfacial thermal conductance (ITC) in two-dimensional (2D) heterointerfaces is of paramount importance for assessing heat dissipation in 2D-based nano…