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Symmerty in material property relationships: A tool for the discovery of new alloys

Symmerty in material property relationships: A tool for the discovery of new alloys
Symmerty in material property relationships: A tool for the discovery of new alloys

Metals and alloys have been indispensable for technological progress, which proceeds along with the discovery of new materials. Nevertheless, only a fraction of the possible ternary systems is known. Statistical inference methods are used to study the complexity and regularity of materials properties. Properties originating from atomic-level interactions are accurately described employing a linear regression analysis; properties incorporating microstructural and thermal history require a balance between physical and statistical modelling. In spite of this, there is a remarkable degree of symmetry among all properties. By employing a principal component analysis it is proven that ten essential material properties can be described in a three dimensional space; from which Ashby diagrams constitute a particular case. A surprisingly compact model emerges to design new alloys with required properties.

Alloy design, Ashby diagrams, Linear regression models, New materials, Principal component analysis, Property prediction
311-318
Wiley-Blackwell
Toda-Caraballo, Isaac
104b4ea9-5418-46cc-a90f-db65f449a1fb
Galindo-Nava, Enrique I.
55a2bf00-0903-414e-8ab6-e26d143a9af3
Rivera-Díaz-del-Castillo, Pedro E.J.
6e0abc1c-2aee-4a18-badc-bac28e7831e2
Toda-Caraballo, Isaac
104b4ea9-5418-46cc-a90f-db65f449a1fb
Galindo-Nava, Enrique I.
55a2bf00-0903-414e-8ab6-e26d143a9af3
Rivera-Díaz-del-Castillo, Pedro E.J.
6e0abc1c-2aee-4a18-badc-bac28e7831e2

Toda-Caraballo, Isaac, Galindo-Nava, Enrique I. and Rivera-Díaz-del-Castillo, Pedro E.J. (2013) Symmerty in material property relationships: A tool for the discovery of new alloys. In TMS 2013 - 142nd Annual Meeting and Exhibition, Supplemental Proceedings. Wiley-Blackwell. pp. 311-318 . (doi:10.1002/9781118663547.ch39).

Record type: Conference or Workshop Item (Paper)

Abstract

Metals and alloys have been indispensable for technological progress, which proceeds along with the discovery of new materials. Nevertheless, only a fraction of the possible ternary systems is known. Statistical inference methods are used to study the complexity and regularity of materials properties. Properties originating from atomic-level interactions are accurately described employing a linear regression analysis; properties incorporating microstructural and thermal history require a balance between physical and statistical modelling. In spite of this, there is a remarkable degree of symmetry among all properties. By employing a principal component analysis it is proven that ten essential material properties can be described in a three dimensional space; from which Ashby diagrams constitute a particular case. A surprisingly compact model emerges to design new alloys with required properties.

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More information

Published date: 2013
Venue - Dates: 142nd Annual Meeting and Exhibition: Linking Science and Technology for Global Solutions, TMS 2013, , San Antonio, TX, United States, 2013-03-03 - 2013-03-07
Keywords: Alloy design, Ashby diagrams, Linear regression models, New materials, Principal component analysis, Property prediction

Identifiers

Local EPrints ID: 492947
URI: http://eprints.soton.ac.uk/id/eprint/492947
PURE UUID: b1e2056b-692d-4962-8911-6342fafe4cb2
ORCID for Pedro E.J. Rivera-Díaz-del-Castillo: ORCID iD orcid.org/0000-0002-0419-8347

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Date deposited: 21 Aug 2024 17:02
Last modified: 22 Aug 2024 02:07

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Contributors

Author: Isaac Toda-Caraballo
Author: Enrique I. Galindo-Nava
Author: Pedro E.J. Rivera-Díaz-del-Castillo ORCID iD

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