Abstract To reveal the fundamental role of structural order of the parent alloy on the oxidation mechanism, thermal oxidation of amorphous and crystalline Al–Zr alloys with identical compositions were investigated in detail. An (Al0.68Zr0.32)O1.66 amorphous oxide emerged on crystalline Al2Zr, whereas an (Al0.33Zr0.67)O1.83 amorphous oxide formed on amorphous Al68at.%Zr32at.% under the same conditions. Oxidation kinetics was fast and linear for crystalline Al2Zr but slow and parabolic for amorphous Al68at.%Zr32at.%. The underlying mechanisms of such striking differences were disclosed by molecular dynamics simulations. The findings thus offer new prospects in the field of surface engineering.

中文翻译：

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结构顺序对Al-Zr合金氧化动力学和氧化物相演化的影响

摘要 为了揭示母合金结构顺序对氧化机制的基本作用，详细研究了具有相同成分的非晶和结晶Al-Zr合金的热氧化。在相同条件下，(Al0.68Zr0.32)O1.66 无定形氧化物出现在结晶 Al2Zr 上，而 (Al0.33Zr0.67)O1.83 无定形氧化物在无定形 Al68at.%Zr32at.% 上形成。氧化动力学对于结晶 Al2Zr 是快速和线性的，但对于非晶 Al68at.%Zr32at.% 是缓慢和抛物线的。分子动力学模拟揭示了这种显着差异的潜在机制。因此，这些发现为表面工程领域提供了新的前景。