ε-carbide in Alloy Steels: First-principles Assessment
نویسندگان
چکیده
There is now a large volume of sophisticated steels which rely on silicon as an alloying addition with the purpose of avoiding the precipitation of cementite. But there is also evidence that the silicon can enhance the formation of ε–carbide; the mechanism of this effect is not understood and the absence of appropriate thermodynamic data makes it impossible to conduct calculations. We report here some ab initio calculations which throw light on both of these issues and suggest novel experiments.
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