41 citations · 107 across the 6 of their papers we have counts for
5 papers · 1 filter
Intrinsically ultralow thermal conductivity in all-inorganic superatomic bulk crystals
Mingzhang Yang, Yuxi Wang, Jun Deng +7
Superatomic compounds, composed of atomic clusters interwoven by weak chemical bonds exhibit large anharmonicity vibrations, are excellent candidates for ultralow thermal conductiv…
Ultrahigh interfacial thermal conductance for cooling gallium oxide electronics using cubic boron arsenide
Wenjiang Zhou, Nianjie Liang, Wei Xiao +3
Gallium oxide (GaO) has attracted significant interest for its unique potential especially in power electronics. However, its low and anisotropic thermal conductivity poses…
Insight into the effect of force error on the thermal conductivity from machine-learned potentials
Wenjiang Zhou, Nianjie Liang, Xiguang Wu +3
Machine-learned potentials (MLPs) have been extensively used to obtain the lattice thermal conductivity via atomistic simulations. However, the impact of force errors in various ML…
Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials
Penghua Ying, Wenjiang Zhou, Lucas Svensson +10
Path-integral molecular dynamics (PIMD) simulations are crucial for accurately capturing nuclear quantum effects in materials. However, their computational intensity and reliance o…
Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics
Xiguang Wu, Wenjiang Zhou, Haikuang Dong +5
Machine learned potentials (MLPs) have been widely employed in molecular dynamics (MD) simulations to study thermal transport. However, literature results indicate that MLPs genera…