Tailoring precipitates for enhanced hydrogen trapping in aluminum alloys
Yucheng Ji (University of Science and Technology Beijing, TU Delft - Materials Science and Engineering)
Xiaoqian Fu (University of Science and Technology Beijing)
Mahdieh Safyari (LUT University)
Chenyang Yao (University of Science and Technology Beijing)
Fei Shuang (TU Delft - Team Poulumi Dey)
Xuequn Cheng (University of Science and Technology Beijing)
Xucheng Yin (University of Science and Technology Beijing)
Xiaogang Li (University of Science and Technology Beijing)
Masoud Moshtaghi (LUT University)
Chaofang Dong (University of Science and Technology Beijing)
Poulumi Dey (TU Delft - Team Poulumi Dey)
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Abstract
Enhancing the hydrogen embrittlement (HE) resistance of alloys caters to the urgent needs of engineering safety and long-distance hydrogen transportation. Highly dense precipitates in the alloys act as H traps, however, some of them cannot strongly trap H thus failing to prevent its accumulation at the critical regions. Experimentally, it is challenging to expeditiously identify and generate phases causing strengthening and acting as strong H traps. Here, we demonstrate a computation-based design strategy to generate precipitates strongly trapping H. Based on the quantum machine learning Al-Sc-Cu potential, the optimal processing parameters of strong H trapping phases are determined, even though they are metastable in nature. Elemental mapping in electron microscope and atom probe tomography confirms the presence of Cu in Al3Sc and its strong interaction with H. Hence, we envisage the proposed strategy will accelerate the design of HE-resistant microstructures of various technologically relevant materials via identification of desirable phases.
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