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Application of Defect Modeling to Materials Design

Published online by Cambridge University Press:  16 February 2011

Marlene A. Spears and
H.L. Tuller
Marlene A. Spears
Affiliation:
Crystal Physics and Electroceramics Laboratory, Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, U.S.A.
H.L. Tuller
Affiliation:
Crystal Physics and Electroceramics Laboratory, Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, U.S.A.
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Abstract

Defect chemical models have been found to be useful in establishing defect generation andtransport mechanisms, extracting thermodynamic data and deconvoluting contributions to the total electrical conductivity. In most cases, however, the utility of the approach has been limited due to the imposed simplifications made to make the analysis more tractable, e.g. the simplified neutrality relation and the elimination of defect associates. In thiswork, we treat more complex equilibria with the aid of numerical methods and illustrate how this approach can be used, not only to extractkey thermodynamic and kinetic data, but also to assist in the design and optimization of materials. Some specific examples with application to solid state ionics will be used to illustrate this approach.

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Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 369: Symposium U – Solid State Ionics IV , 1994, 271
Copyright
Copyright © Materials Research Society 1995

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