104 citations · 231 across the 9 of their papers we have counts for
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Intrinsically low thermal conductivity of stoichiometric lithium niobate:Experimental measurement and microscopic origin
Wenjiang Zhou, Fuwei Yang, Yuxi Wang +4
With the rapid development of integrated electro-optic and nonlinear optical devices based on lithium niobate (LiNbO, LN), thermal management is becoming a critical area of foc…
Heat transport in superionic materials via machine-learned molecular dynamics
Wenjiang Zhou, Benrui Tang, Zheyong Fan +3
Precise modeling and understanding of heat transport in the superionic phase are of great interest. Although simulations combining Green-Kubo (GK) molecular dynamics with machine-l…
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…
Molecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials
Haikuan Dong, Yongbo Shi, Penghua Ying +9
Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably pr…