期刊
JOURNAL OF ALLOYS AND COMPOUNDS
卷 566, 期 -, 页码 217-228出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2013.02.148
关键词
Alloy design; Ashby diagrams; Principal component analysis; Property prediction; Thermostatistical model; Kocks-Mecking theory
资金
- Accelerated Metallurgy Project
- European Commission [NMP4-LA-2011-263206]
- European Space Agency
- National Council of Science and Technology of Mexico (CONACYT)
- Roberto Rocca Education Programme
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. (C) 2013 Elsevier B.V. All rights reserved.
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