The structure of a general materials genome approach to the design of new steel grades for specific properties

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The structure of a general materials genome approach to the design of new steel grades for specific properties

Wei Xu, Qi Lu, Xiaojun Xu, Sybrand Van Der Zwaag

Novel Aerospace Materials group, Faculty of Aerospace Engineering, Delft University of Technology, 2628HS, Delft, The Netherlands.

DOI:

https://doi.org/10.7494/cmms.2013.3.0457

Abstract:

In this work we review and reformulate a general alloy design methodology based on thermodynamic and kinetic principles, employing the genetic algorithm as the optimization scheme. The new approach relies on two key concepts: the ‘translator’ and the ‘creator’. The ‘translator’ is the conversion of the desired (thermo-)mechanical properties into required microstructures using known microstructure-property relationships. The ‘creator’ translates quantifiable microstructural parameters into metallurgical and economical parameters, i.e. composition, heat treatment parameter and cost, again employing established metallurgical principles. In the case of well defined ‘translator’ and ‘creator’ functions the model allows simultaneous, human intervention free optimization of alloy composition and key heat treatment parameters, i.e., austenitization temperatures and ageing temperatures, so as to fulfill multiple design criteria and eventually to achieve the desired microstructure. The elementary version of the model, not defining the ‘translator’ or ‘creator’ modules explicitly has applied to the design of ultra high strength (UHS) stainless steel and was validated by experiments on prototype alloys. The model was subsequently extended to take into account the alloying cost by adding a cost factor to various alloying elements, and is shown to provide valuable guidelines to the design and modification of alloy compositions and has the capacity to optimize strength and material cost in an integrated manner. In this manuscript the new conceptual approach to alloy design is reformulated in a more generic and abstract manner and new extensions of the model to the design of high temperature resistant steels (both creep steels and fire resistant steels) and abrasion resistant steels are discussed, and some preliminary results are shown.

Cite as:

Xu, W., Lu, Q., Xu, X., & Zwaag, S. (2013). The structure of a general materials genome approach to the design of new steel grades for specific properties. Computer Methods in Materials Science, 13(3), 382 – 394. https://doi.org/10.7494/cmms.2013.3.0457

Article (PDF):

Keywords:

Alloy design, Genetic algorithm, Ultra high strength steels, Creep resistant steels, Abrasion resistant

References: