104 citations · 378 across the 22 of their papers we have counts for
29 papers
Structurally Triggered Breakdown of the Phonon Gas Model in Crystalline Metal-Organic Frameworks
Penghua Ying, Ting Liang, Yun Chen +5
While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport w…
Thermal conductivities of monolayer graphene oxide from machine learning molecular dynamics simulations
Bohan Zhang, Biyuan Liu, Penghua Ying +6
Graphene oxide (GO) exhibits rich chemical heterogeneity that strongly influences its structural, thermal, and mechanical properties, yet quantitatively linking reduction chemistry…
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…
Anisotropic and isotropic elasticity and thermal transport in monolayer C networks from machine-learning molecular dynamics
Qing Li, Haikuan Dong, Penghua Ying +1
Two-dimensional fullerene networks have recently attracted increasing interest due to their diverse bonding topologies and mechanically robust architectures. In this work, we devel…
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…
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.…