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Due to the low production cost and light weight, copper-clad aluminum conductors show great potential value in the field of power transmission, while the phase structure and organizational changes at the Cu–Al interface in high-temperature environments have a great impact on the electrical and mechanical properties. In this paper, Cu–Al diffusion couples are prepared to study the diffusion process, microstructure, and growth kinetics of intermetallic compounds (IMCs) in Cu–Al interface during heating from 600 °C to 800 °C, and the mechanical and electrical properties of Cu–Al diffusion couples are discussed. The results show that after heat treatment, IMC layers are formed at the Cu–Al interface and the Al-side is composed of CuAl and CuAl2, in which the CuAl phase transforms from long to thick dendrites with the increase of temperature, and finally grows into a “popcorn” form. The IMCs at the Cu–Al interface from the Cu side to the Al side are in the order of Cu3Al l

Heat treatmentMolecular dynamics simulationPhase transformation