208 citations · 762 across the 27 of their papers we have counts for
27 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…
A biomimetic feedback loop for sustaining self-lubrication and wear resistance
Fuyan Kang, Shilin Deng, Panpan Li +7
Intelligent materials that self-sense and self-regulate are an emerging frontier in sustainable technology. Here we introduce Cu(Au)/C nanocomposite films that act as bioinspired s…
Persistent incommensurate amorphous/crystalline meta-interfaces enable engineering-grade superlubricity
Wan Wang, Zijun Ding, Panpan Li +7
Friction dissipates a substantial portion of global energy, motivating the pursuit of superlubricity, a state of near-zero friction, in real-world systems. Conventional approaches…
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…
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…
Frictional Dissipation and Scaling Laws at van der Waals Interface: The Key Role of Elastic Pinning of Moiré at Edges and Corners
Xiang Gao, Weidong Yan, Wengen Ouyang +3
Van der Waals heterogeneous interfaces are promising candidates for the scaling up of structural superlubricity to meet practical applications. Several factors, however, have been…
Ultra-Long Homochiral Graphene Nanoribbons Grown Within h-BN Stacks for High-Performance Electronics
Bosai Lyu, Jiajun Chen, Sen Wang +21
Van der Waals encapsulation of two-dimensional materials within hexagonal boron nitride (h-BN) stacks has proven to be a promising way to create ultrahigh-performance electronic de…
Shape-dependent friction scaling laws in twisted layered material interfaces
Weidong Yan, Xiang Gao, Wengen Ouyang +3
Static friction induced by moiré superstructure in twisted incommensurate finite layered material interfaces reveals unique double periodicity and lack of scaling with contact size…
Anisotropic Interlayer Force Field for Group-VI Transition Metal Dichalcogenides
Wenwu Jiang, Reut Sofer, Xiang Gao +5
An anisotropic interlayer force field that describes the interlayer interactions in homogeneous and heterogeneous interfaces of group-VI transition metal dichalcogenides (MX2 where…
Anisotropic Interfacial Force Field for Interfaces of Water with Hexagonal Boron Nitride
Zhicheng Feng, Zhangke Lei, Yuanpeng Yao +3
This study introduces an anisotropic interfacial potential that provides an accurate description of the van der Waals (vdW) interactions between water and hexagonal boron nitride (…
Twist-Dependent Anisotropic Thermal Conductivity in Homogeneous MoS Stacks
Wenwu Jiang, Ting Liang, Jianbin Xu +1
Thermal transport property of homogeneous twisted molybdenum disulfide (MoS) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fi…
Registry-Dependent Potential for interfaces of water with graphene
Zhicheng Feng, Yuanpeng Yao, Jianxin Liu +3
An anisotropic interlayer potential that can accurately describe the van der Waals interaction of the water-graphene interface is presented. The force field is benchmarked against…
Origin of frictional scaling law in circular twist layered interfaces: simulations and theory
Weidong Yan, Wengen Ouyang, Ze Liu
Structural superlubricity based on twisted layered materials has stimulated great research interests. Recent MD simulations show that the circular twisted bilayer graphene (tBLG) p…
Catalytic growth of ultralong graphene nanoribbons on insulating substrates
Bosai Lyu, Jiajun Chen, Shuo Lou +22
Graphene nanoribbons (GNRs) with widths of a few nanometres are promising candidates for future nano-electronic applications due to their structurally tunable bandgaps, ultrahigh c…
Registry dependent potential for interfaces of gold with graphitic systems
Wengen Ouyang, Oded Hod, Roberto Guerra
We present a semi-anisotropic interfacial potential (SAIP) designed to classically describe the interaction between gold and two-dimensional (2D) carbon allotropes such as graphene…
Parity-Dependent Moiré Superlattices in Graphene/h-BN Heterostructures: A Route to Mechanomutable Metamaterials
Wengen Ouyang, Oded Hod, Michael Urbakh
The superlattice of alternating graphene/h-BN few-layered heterostructures is found to exhibit strong dependence on the parity of the number of layers within the stack. Odd-parity…
Sliding Over Graphene Grain Boundaries: A Step Towards Macroscale Superlubricity
Xiang Gao, Wengen Ouyang, Oded Hod +1
In light of the race towards macroscale superlubricity of graphitic contacts, the effect of grain boundaries on their frictional properties becomes of central importance. Here, we…
Controllable Thermal Conductivity in Twisted Homogeneous Interfaces of Graphene and Hexagonal Boron Nitride
Wengen Ouyang, Huasong Qin, Michael Urbakh +1
Thermal conductivity of homogeneous twisted stacks of graphite is found to strongly depend on the misfit angle. The underlying mechanism relies on the angle dependence of phonon-ph…
Mechanical and Tribological Properties of Layered Materials Under High Pressure: Assessing the Importance of Many-Body Dispersion Effects
Wengen Ouyang, Ido Azuri, Davide Mandelli +4
The importance of many-body dispersion effects in layered materials subjected to high external loads is evaluated. State-of-the-art many-body dispersion density functional theory c…
Thermodynamic model of twisted bilayer graphene: Configuration entropy matters
Weidong Yan, Langquan Shui, Wengen Ouyang +1
Twisted bilayer materials have attracted tremendous attention due to their unique and novel properties. Here, we derive a thermodynamic model for twisted bilayer graphene (tBLG) wi…
Load-velocity-temperature relationship in frictional response of microscopic contacts
Wengen Ouyang, Yao Cheng, Ming Ma +1
Frictional properties of interfaces with dynamic chemical bonds have been the subject of intensive experimental investigation and modeling, as it provides important insights into t…