Hostname: page-component-586b7cd67f-l7hp2 Total loading time: 0 Render date: 2024-11-29T07:39:00.810Z Has data issue: false hasContentIssue false
  • English
  • Français

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.
Get access

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.

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Brouwer, G., Philips Res. Rep. 9, 366 (1954)Google Scholar
2. Kröger, F.A. and Vink, H.J., Solid State Physics 3, 310 (1956).Google Scholar
3. Kofstand, P., Nonstoichiometry, Diffusion and Electrical Conductivity in Binary Oxides, (Wiley, NY, 1972), pg 40.Google Scholar
4. Moon, P.K. and Tuller, H.L., Sol. St. Ionics 28-30, 470–74 (1988).Google Scholar
5. Moon, P.K. and Tuller, H.L., Solid St. lonics, edited by Nazri, G., Huggins, R.A., and Shriver, D.F., (MRS Symp. Proc. Vol. 135, Pittsburgh, PA, 1989), pp. 149–163.Google Scholar
6. Tuller, H.L., Kramer, S., and Spears, M.A., High Temperature Electrochemical Behaviour of Fast Ion and Mixed Conductors, editors Poulsen, F.W., Bentzen, J.J., Jacobsen, T., Skou, E. and Ostergard, M.J.L., (Riso National Laboratory, Roskilde, Denmark, 1993), p 151–73.Google Scholar
7. Tuller, H.L., Solid State Ionics 52, 135–146 (1992).Google Scholar
8. Spears, M.A., PhD thesis, Massachusetts Institute of Technology, 1995.Google Scholar
9. Kramer, S., Spears, M., and Tuller, H.L., Proceedings of the Third Intl. Symp. on Solid Oxide Fuel Cells, editors Singhal, S.C. and Iwahara, H., (The Electrochemical Society, Proc. Vol. 93-4, Pennington, NJ, 1993), pgs. 119–128.Google Scholar
10. Choi, G.M. and Tuller, H.L., J. Am. Ceram. Soc. 71, 201 (1988).Google Scholar
11. Kramer, S., Spears, M., and Tuller, H.L., Solid State Ionics 72, 59–66 (1994).Google Scholar
12. Tuller, H.L., Kramer, S., and Spears, M., U.S. Patent, Notice of Allowance received.Google Scholar
13. Milliken, C., Elangavan, S., and Khandkar, A.C., Ionic and Mixed Conducting Ceramics, editors. Ramanarayan, R.A., Worrell, W.L., and Tuller, H.L., (The Electrochem. Soc., Proc. Vol. 94-12, Pennington, NJ, 1994), p. 466.Google Scholar
14. Tuller, H.L. and Moon, P.K., Mat. Sc. Eng. B1, 171–91 (1988).Google Scholar
15. Tuller, H. L., and Nowick, A. S., J. Electrochem. Soc. 122, 255–259 (1975).Google Scholar
16. Kudo, T. and Obayashi, H., J. Electrochem. Soc. 123, 415 (1976).Google Scholar
17. Tuller, H.L., Maricle, D.L., and Swarr, T.E., "U.S. Patent No. 5,001,021, March 19, 1991.Google Scholar
18. Tuller, H. L., Non-Stoichiometric Oxides, ed. Sorensen, O.T., Academic Press, NY (1981), pp. 271–335.Google Scholar
19. Rotman, S.R., Tandon, R.P., and Tuller, H.L., J. Appl. Phys. 57, 1951–55 (1985).Google Scholar
20. Rotman, S.R. and Tuller, H.L., J. Appl. Phys. 62, (1987) pp. 1305–1312.Google Scholar
21. Rotman, S.R., Roth, M., Tuller, H.L., and Warde, C., J. Appl. Phys. 66, 1366–1369 (1989).Google Scholar
22. Moon, P.K., Ph.D. thesis, Massachusetts Institute of Technology, 1988.Google Scholar