601 citations · 984 across the 15 of their papers we have counts for
16 papers
A Transferable Machine-Learned Potential Enabling Large-Scale Copper-Carbon Simulations from Equilibrium to Extreme Conditions
Feiyu Zhou, Wei Qiu, Yan Chen +4
Cu-C materials and interfaces are central to diamond thermal management, metallization, graphene growth and carbon-coating technologies, but atomistic simulations across these appl…
Transitions between bulk and interfacial fracture in diamond/BN heterostructures
Wei Qiu, Feiyu Zhou, Xiaonan Wang +5
Whether an initially crack-free heterostructure fails at its interface or within an adjoining phase is controlled by the relative cohesion of competing atomic planes, but how inter…
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…
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…
Intrinsic Fracture Nonreciprocity at the Nanoscale
Siwei Zhao, Penghua Ying, Guoqiang Zhang +4
We reveal intrinsic fracture nonreciprocity, manifesting as directional asymmetry in crack resistance, in two-dimensional heterostructures engineered through lattice-mismatched int…
MatterGPT: A Generative Transformer for Multi-Property Inverse Design of Solid-State Materials
Yan Chen, Xueru Wang, Xiaobin Deng +5
Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potentia…