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Modelling and design of magnesium and high entropy alloys through combining statistical and physical models

Modelling and design of magnesium and high entropy alloys through combining statistical and physical models
Modelling and design of magnesium and high entropy alloys through combining statistical and physical models

Physical and statistical models are combined to describe and design magnesium and high entropy alloys. A principal component analysis is applied to merge material datasets, and it is shown that limits in properties can be envisaged. Extrapolation techniques can be employed to devise properties of non-existing alloys, such as specific heat capacity, melting point and Young’s modulus. These in turn can be input to physical models to predict, for example, yield strength and modulus of toughness. The tools described herein can readily be used for materials discovery, and are being implemented in the Accelerated Metallurgy project.

1047-4838
108-117
Toda-Caraballo, Isaac
104b4ea9-5418-46cc-a90f-db65f449a1fb
Rivera-Díaz-del-Castillo, Pedro E.J.
6e0abc1c-2aee-4a18-badc-bac28e7831e2
Toda-Caraballo, Isaac
104b4ea9-5418-46cc-a90f-db65f449a1fb
Rivera-Díaz-del-Castillo, Pedro E.J.
6e0abc1c-2aee-4a18-badc-bac28e7831e2

Toda-Caraballo, Isaac and Rivera-Díaz-del-Castillo, Pedro E.J. (2015) Modelling and design of magnesium and high entropy alloys through combining statistical and physical models. JOM, 67 (1), 108-117. (doi:10.1007/s11837-014-1242-2).

Record type: Article

Abstract

Physical and statistical models are combined to describe and design magnesium and high entropy alloys. A principal component analysis is applied to merge material datasets, and it is shown that limits in properties can be envisaged. Extrapolation techniques can be employed to devise properties of non-existing alloys, such as specific heat capacity, melting point and Young’s modulus. These in turn can be input to physical models to predict, for example, yield strength and modulus of toughness. The tools described herein can readily be used for materials discovery, and are being implemented in the Accelerated Metallurgy project.

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More information

Accepted/In Press date: 5 November 2014
e-pub ahead of print date: 9 December 2014
Published date: January 2015

Identifiers

Local EPrints ID: 492434
URI: http://eprints.soton.ac.uk/id/eprint/492434
ISSN: 1047-4838
PURE UUID: e8a2aeed-1bdf-4bcc-a9ba-89b06ad906c3
ORCID for Pedro E.J. Rivera-Díaz-del-Castillo: ORCID iD orcid.org/0000-0002-0419-8347

Catalogue record

Date deposited: 26 Jul 2024 16:44
Last modified: 27 Jul 2024 02:08

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Contributors

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

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