Carbides in stainless steels: Results from ab initio investigations

摘要: The useful properties of steels are due to a complicated microstructure containing iron and chromium carbides. Only some basic physical these carbides known with high precision, although the may have vital impact on performance longevity steel. To improve this situation, we performed extensive density-functional theory calculations several quantitative results in perfect agreement relative empirical stability Also, contradiction experimental data, find that Cr23C6 responsible for hardness stainless is not most stable chromium-dominated carbide.