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A Transferable Machine-Learned Potential Enabling Large-Scale Copper-Carbon Simulations from Equilibrium to Extreme Conditions

Zhou, Feiyu et al.
arXiv (All) · Papers
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applied-physicschemical-physicscomputational-physicsmaterials-science
Cu-C materials and interfaces are central to diamond thermal management, metallization, graphene growth and carbon-coating technologies, but atomistic simulations across these applications require a potential that describes metallic Cu, diverse carbon bonding, heterogeneous Cu-C interactions and clo
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