31 citations · 173 across the 10 of their papers we have counts for
10 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…
Device-Scale Atomistic Simulations of Heat Transport in Advanced Field-Effect Transistors
Ke Xu, Gang Wang, Ting Liang +8
Self-heating in next-generation, high-power-density field-effect transistor limits performance and complicates fabrication. Here, we introduce NEP-FET, a machine-learned framework…
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.…
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…
NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements
Ting Liang, Ke Xu, Eric Lindgren +16
While machine-learned interatomic potentials offer near-quantum-mechanical accuracy for atomistic simulations, many are material-specific or computationally intensive, limiting the…
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…
NEP-MB-pol: A unified machine-learned framework for fast and accurate prediction of water's thermodynamic and transport properties
Ke Xu, Ting Liang, Nan Xu +5
Water's unique hydrogen-bonding network and anomalous properties pose significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across va…
Phonon coherence and minimum thermal conductivity in disordered superlattice
Xin Wu, Zhang Wu, Ting Liang +4
Phonon coherence elucidates the propagation and interaction of phonon quantum states within superlattice, unveiling the wave-like nature and collective behaviors of phonons. Taking…
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…