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Simulations Guided Design of Anti-Corrosion Coatings for Al Alloys by Selective Targeting of Intermetallic Particles

机译:金属间化合物颗粒的选择性靶向模拟指导的铝合金防腐涂层设计

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摘要

A rational design of sustainable anti-corrosion coatings based on an in-depthrnunderstanding of the corrosion mechanism ass℃iated with the intermetallic particles (IMPs) inrnAl alloys is proposed. This work introduces a multiscale model based in-silico methodology torndesign and validate the mechanistic pathways using functionalized coating systems. The primaryrnthermodynamic driving force present in the electr℃hemically exposed alloy surface will berndiscussed. Based on the in-silico model, we will present our preliminary results on experimentalrndesign of surface pretreatments and hybrid nan℃omposite coatings. The pathways to alterrnsurface chemistry of IMPs will be discussed with supporting evidence from molecular vibrationsrn(FT-IR and PEM-IRRAS) from adsorbed inhibitors and other surface characterizationrntechniques. The results will be discussed to demonstrate the role of surface pretreatmentrnchemistries, the importance of intervention before dealloying, and controlling the dispersion ofrnnanoscale functional units in the coating for developing sustainable coatings solutions.
机译:根据对金属间颗粒(IMPs)inrnAl合金的腐蚀机理的深入理解,提出了一种可持续的防腐涂层的合理设计。这项工作介绍了一种基于多尺度模型的计算机内方法,可以使用功能化涂层系统来设计和验证机械路径。讨论了在电暴露于合金中的表面上存在的主要热力学驱动力。基于计算机模型,我们将提供有关表面预处理和混合纳米复合涂层实验设计的初步结果。将讨论IMP改变表面化学的途径,并结合吸附抑制剂和其他表面表征技术的分子振动(FT-IR和PEM-IRRAS)提供支持证据。将讨论结果,以证明表面预处理化学的作用,在脱合金之前进行干预的重要性以及控制纳米级功能单元在涂料中的分散性,以开发可持续的涂料解决方案。

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