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cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2026
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…