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Monday, 6 May 2013

Stainless steel optimization from quantum mechanical calculations_No getting away from a great material "Steel, nor from a great journal_Nature Materials


No getting away from Nature Materials -Hope to come back to this theme.

Stainless steel optimization from quantum mechanical calculations

Levente Vitos1,2, Pavel A. Korzhavyi1 & Börje Johansson1,3
Alloy steel design has always faced a central problem: designing for a specific property very rarely produces a simultaneous significant improvement in other properties1, 2. For instance, it is difficult to design a material that combines high values of two of the most important mechanical characteristics of metals, hardness and ductility. Here we use the most recent quantum theories of random alloys3 to address a similar problem in the design of austenitic stainless steels, namely, to combine high mechanical characteristics with good resistance against localized corrosion. We show that an optimal combination of these basic properties can be achieved in alloys within the compositional range of commercial stainless steels. We predict, first, that Fe58Cr18Ni24alloys possess an intermediate hardness combined with improved ductility and excellent corrosion resistance, and, second, that osmium and iridium alloying additions will further improve the basic properties of this outstanding class of alloy steels.

REFERENCE: Nature Materials 2, 25 - 28 (2003) 
Published online: 15 December 2002 | doi:10.1038/nmat790
Subject Categories (in Nature Materials nmat for short): Metals and alloys | Computation, modelling and theory

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