First Principles Determination of the Effects of Phosphorus and Boron on Iron Grain Boundary Cohesion

作者: R. Wu , A. J. Freeman , G. B. Olson

DOI: 10.1126/SCIENCE.265.5170.376

关键词: Binding energyChemical physicsImpurityIntergranular corrosionMetallurgyBoronElectronic structureIntergranular fractureMaterials scienceGrain boundaryEmbrittlement

摘要: … of phosphorus in the two environments is consistent with its measured embrittlement potency. In contrast to the nonhybridized interaction of iron and phosphorus, iron-boron … cluster cal- …

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