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Unravelling the materials genome: Symmetry relationships in alloy properties

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Unravelling the materials genome: Symmetry relationships in alloy properties. / Toda-Caraballo, Isaac; Galindo-Nava, Enrique I.; Rivera-Díaz-Del-Castillo, Pedro E.J.
In: Journal of Alloys and Compounds, Vol. 566, 25.06.2013, p. 217-228.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Toda-Caraballo, I, Galindo-Nava, EI & Rivera-Díaz-Del-Castillo, PEJ 2013, 'Unravelling the materials genome: Symmetry relationships in alloy properties', Journal of Alloys and Compounds, vol. 566, pp. 217-228. https://doi.org/10.1016/j.jallcom.2013.02.148

APA

Toda-Caraballo, I., Galindo-Nava, E. I., & Rivera-Díaz-Del-Castillo, P. E. J. (2013). Unravelling the materials genome: Symmetry relationships in alloy properties. Journal of Alloys and Compounds, 566, 217-228. https://doi.org/10.1016/j.jallcom.2013.02.148

Vancouver

Toda-Caraballo I, Galindo-Nava EI, Rivera-Díaz-Del-Castillo PEJ. Unravelling the materials genome: Symmetry relationships in alloy properties. Journal of Alloys and Compounds. 2013 Jun 25;566:217-228. doi: 10.1016/j.jallcom.2013.02.148

Author

Toda-Caraballo, Isaac ; Galindo-Nava, Enrique I. ; Rivera-Díaz-Del-Castillo, Pedro E.J. / Unravelling the materials genome : Symmetry relationships in alloy properties. In: Journal of Alloys and Compounds. 2013 ; Vol. 566. pp. 217-228.

Bibtex

@article{b7b786dde648424d84146708b63dd78c,
title = "Unravelling the materials genome: Symmetry relationships in alloy properties",
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.",
keywords = "Alloy design, Ashby diagrams, Kocks-Mecking theory, Principal component analysis, Property prediction, Thermostatistical model",
author = "Isaac Toda-Caraballo and Galindo-Nava, {Enrique I.} and Rivera-D{\'i}az-Del-Castillo, {Pedro E.J.}",
year = "2013",
month = jun,
day = "25",
doi = "10.1016/j.jallcom.2013.02.148",
language = "English",
volume = "566",
pages = "217--228",
journal = "Journal of Alloys and Compounds",
issn = "0925-8388",
publisher = "Elsevier BV",

}

RIS

TY - JOUR

T1 - Unravelling the materials genome

T2 - Symmetry relationships in alloy properties

AU - Toda-Caraballo, Isaac

AU - Galindo-Nava, Enrique I.

AU - Rivera-Díaz-Del-Castillo, Pedro E.J.

PY - 2013/6/25

Y1 - 2013/6/25

N2 - 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.

AB - 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.

KW - Alloy design

KW - Ashby diagrams

KW - Kocks-Mecking theory

KW - Principal component analysis

KW - Property prediction

KW - Thermostatistical model

U2 - 10.1016/j.jallcom.2013.02.148

DO - 10.1016/j.jallcom.2013.02.148

M3 - Journal article

AN - SCOPUS:84875947941

VL - 566

SP - 217

EP - 228

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

ER -