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<p>The evolution of interfacial structure and its governing mechanisms for mechanical properties in TA1/1060Al/TA1 clad plates during hot rolling and annealing have been systematically investigated through combined molecular dynamics simulations and experimental characterization. The mutual diffusion at the Ti/Al interface exhibited pronounced asymmetry. Ti atoms predominantly migrate into the Al side via vacancy-mediated diffusion, whereas Al atoms diffuse through an interstitial mechanism. This asymmetric behavior results in greater penetration depth of Ti into the Al matrix and promotes preferential nucleation of the TiAl<sub>3</sub> phase on the Al side. While temperature serves as the primary driver of atomic interdiffusion, time predominantly regulates the diffusion layer thickness and compound growth kinetics. Under the optimal condition of 600&#xa0;°C for 4&#xa0;h, a continuous TiAl<sub>3</sub> layer approximately 4.73&#xa0;μm thick formed at the interface. This microstructure yielded a peak shear strength of 57.6&#xa0;MPa, which represented a 40.15% improvement over the hot-rolled condition. This work elucidates the atomic-scale mechanism of asymmetric diffusion during Ti/Al interfacial reactions, providing both theoretical and experimental support for designing and optimizing high-strength Ti/Al clad plates.</p>

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Unveiling Atomic-Scale Asymmetric Diffusion at the TA1/1060Al/TA1 Clad Plate Interface: A Combined Molecular Dynamics and Experimental Study

  • 期刊论文

  • 发表日期：

    2026年4月23日

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  • Xia Yang,
  • Yinglong Guo,
  • Huitong Cui,
  • Zhuojie Li,
  • Shuqi Xu,
  • Feng Dou

摘要

The evolution of interfacial structure and its governing mechanisms for mechanical properties in TA1/1060Al/TA1 clad plates during hot rolling and annealing have been systematically investigated through combined molecular dynamics simulations and experimental characterization. The mutual diffusion at the Ti/Al interface exhibited pronounced asymmetry. Ti atoms predominantly migrate into the Al side via vacancy-mediated diffusion, whereas Al atoms diffuse through an interstitial mechanism. This asymmetric behavior results in greater penetration depth of Ti into the Al matrix and promotes preferential nucleation of the TiAl3 phase on the Al side. While temperature serves as the primary driver of atomic interdiffusion, time predominantly regulates the diffusion layer thickness and compound growth kinetics. Under the optimal condition of 600 °C for 4 h, a continuous TiAl3 layer approximately 4.73 μm thick formed at the interface. This microstructure yielded a peak shear strength of 57.6 MPa, which represented a 40.15% improvement over the hot-rolled condition. This work elucidates the atomic-scale mechanism of asymmetric diffusion during Ti/Al interfacial reactions, providing both theoretical and experimental support for designing and optimizing high-strength Ti/Al clad plates.