Isolation of optimal compositions of single crystal superalloys by mapping of a material's genome

The multicomponent composition space pertinent to the single crystal nickel-based superalloys is mapped and searched, using computational modelling. A resolution of 0.1 wt.% for the alloying elements is assumed, consistent with manufacturing practice. Databases are constructed of alloy compositions which are predicted to be of promising microstructural architecture: e.g. equal fractions of the gamma and gamma' phases. These may be regarded as maps one might term them genomes of this class of structural alloy. By combining the databases with additional composition-dependent property models, it is demonstrated that compositions can be identified which subject to the accuracy and limitations of the sub-models are likely to prove optimal, e.g. on the basis of their creep resistance, density and cost. The methods circumvent the need for the traditional empirically-driven approaches to alloy design. (C) 2015 Published by Elsevier Ltd. on behalf of Acta Materialia Inc.