Abstract M7C3 carbide [M: metallic element] is the primary reinforcement in white cast irons. Further improving its properties for maximized benefits is highly desired. However, no clear clues are available to guide the modification. Through atomic force microscopy in-situ analysis and first-principles calculations, we demonstrate that (Fe,Cr)7C3 carbide's strength is governed by its metallic bond component. We theoretically prove that M7C3 carbide is tailorable by partially replacing its metallic elements with substitutes selected based on their work function as an indicator. This study provides an insight into the electronic origin of carbide's mechanical behaviour, helping guide developing high-performance M7C3 carbides.

中文翻译：

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通过电子功函数引导的修饰来定制 M7C3 碳化物

摘要 M7C3 碳化物[M：金属元素]是白口铸铁的主要增强材料。非常需要进一步改进其性能以获得最大化的益处。但是，没有明确的线索可以指导修改。通过原子力显微镜原位分析和第一性原理计算，我们证明 (Fe,Cr)7C3 碳化物的强度受其金属键组分的控制。我们从理论上证明 M7C3 碳化物是可定制的，通过用基于功函数作为指标选择的替代品部分替换其金属元素。这项研究提供了对碳化物机械行为的电子起源的深入了解，有助于指导开发高性能 M7C3 碳化物。