4.7 Article

CALPHAD, first and second generation - Birth of the materials genome

Journal

SCRIPTA MATERIALIA
Volume 70, Issue -, Pages 3-6

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2012.12.003

Keywords

Thermodynamic and kinetic calculations; CALPHAD; Mathematical modelling; Integrated computational materials engineering; High throughput assessment

Funding

  1. Hero-m project

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The materials genome was given a rather vague definition in US President Obama's announcement in 2011. We argue that the materials genome, analogously with biological genomes, should be defined as a set of information (databases) allowing prediction of a material's structure, as well as its response to processing and usage conditions. The materials genome is thus encoded in the language of CALPHAD thermodynamics and kinetics, as such databases are major parts of integrated computational materials engineering. (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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