Unravelling the materials genome: Symmetry relationships in alloy properties
Unravelling the materials genome: Symmetry relationships in alloy properties
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.
Alloy design, Ashby diagrams, Kocks-Mecking theory, Principal component analysis, Property prediction, Thermostatistical model
217-228
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
25 July 2013
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)
Unravelling the materials genome: Symmetry relationships in alloy properties.
Journal of Alloys and Compounds, 566, .
(doi:10.1016/j.jallcom.2013.02.148).
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.
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Published date: 25 July 2013
Keywords:
Alloy design, Ashby diagrams, Kocks-Mecking theory, Principal component analysis, Property prediction, Thermostatistical model
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Local EPrints ID: 492556
URI: http://eprints.soton.ac.uk/id/eprint/492556
ISSN: 0925-8388
PURE UUID: 75c18acc-53c0-4890-a6c8-0cb164770999
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Date deposited: 05 Aug 2024 16:42
Last modified: 06 Aug 2024 02:04
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Author:
Isaac Toda-Caraballo
Author:
Enrique I. Galindo-Nava
Author:
Pedro E.J. Rivera-Díaz-Del-Castillo
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