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CALPHAD, first and second generation - Birth of the materials genome
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Physical Metallurgy.
2014 (English)In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 70, no 1, 3-6 p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2014. Vol. 70, no 1, 3-6 p.
Keyword [en]
Thermodynamic and kinetic calculations, CALPHAD, Mathematical modelling, Integrated computational materials engineering, High throughput assessment
National Category
Metallurgy and Metallic Materials
URN: urn:nbn:se:kth:diva-138349DOI: 10.1016/j.scriptamat.2012.12.003ISI: 000327230900002ScopusID: 2-s2.0-84887018448OAI: diva2:681201

QC 20131219

Available from: 2013-12-19 Created: 2013-12-19 Last updated: 2013-12-19Bibliographically approved

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Ågren, John
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