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Unravelling the materials genome: Symmetry relationships in alloy properties

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<mark>Journal publication date</mark>25/06/2013
<mark>Journal</mark>Journal of Alloys and Compounds
Volume566
Number of pages12
Pages (from-to)217-228
Publication StatusPublished
<mark>Original language</mark>English

Abstract

Metals and alloys have been indispensable for technological progress, but only a fraction of the possible ternary systems (combinations of three elements) is known. Statistical inference methods combined with physical models are presented to discover new systems of enhanced properties. It is demonstrated that properties originating from atomic-level interactions can be described employing a linear regression analysis, but properties incorporating microstructural and thermal history effects require a balance between physical and statistical modelling. In spite of this, there is a remarkable degree of symmetry among all properties, and by employing a principal components analysis it is shown that ten properties essential to engineering can be described well in a three dimensional space. This will aid in the discovery of novel alloying systems.