4 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…
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.…
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…
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…