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doi:10.1016/j.jeurceramsoc.2007.02.212    
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Copyright © 2007 Elsevier B.V. All rights reserved.

Prediction of the functional properties of ceramic materials from composition using artificial neural networks

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D.J. Scotta, P.V. Coveneya, Corresponding Author Contact Information, E-mail The Corresponding Author, J.A. Kilnerb, J.C.H. Rossinyb and N.Mc N. Alfordb

aCentre for Computational Science, Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H 0AJ, United Kingdom

bDepartment of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom


Received 7 October 2006; 
revised 19 February 2007; 
accepted 23 February 2007. 
Available online 20 April 2007.

Abstract

We describe the development of artificial neural networks (ANN) for the prediction of the properties of ceramic materials. The ceramics studied here include polycrystalline, inorganic, non-metallic materials and are investigated on the basis of their dielectric and ionic properties. Dielectric materials are of interest in telecommunication applications, where they are used in tuning and filtering equipment. Ionic and mixed conductors are the subjects of a concerted effort in the search for new materials that can be incorporated into efficient, clean electrochemical devices of interest in energy production and greenhouse gas reduction applications. Multi-layer perceptron ANNs are trained using the back-propagation algorithm and utilise data obtained from the literature to learn composition–property relationships between the inputs and outputs of the system. The trained networks use compositional information to predict the relative permittivity and oxygen diffusion properties of ceramic materials. The results show that ANNs are able to produce accurate predictions of the properties of these ceramic materials, which can be used to develop materials suitable for use in telecommunication and energy production applications.

Keywords: Dielectric properties; Ionic conductivity; Perovskites; Functional applications; Neural networks

Article Outline

1. Introduction
2. Electroceramic materials
2.1. Microwave dielectric materials for communications equipment
2.2. Ion-diffusion materials for fuel cells
3. Artificial neural networks
3.1. Multi-layer perceptron networks
3.2. Radial basis function networks
3.3. Generalisation in artificial neural networks
4. Ceramic materials datasets
5. Neural network operation
6. Results
6.1. Prediction performance of the network trained using the dielectric dataset
6.2. Prediction performance of the network trained using the optimised dielectric dataset
6.3. Prediction performance of the network trained using the ion-diffusion dataset
6.4. Radial basis function networks
7. Conclusions
Acknowledgements
References




Corresponding Author Contact InformationCorresponding author. Tel.: +44 20 7679 4560; fax: +44 20 7679 7463.

 
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