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Estimates for Diffusion Barriers and Atomic Potentials in Mgo: Cndo/2 Calculations for the Study of Microwave Effects in Sintering

Published online by Cambridge University Press:  28 February 2011

L. Skala ,
V.M. Kenkre ,
M.W. Weiser  and
J.D. Katz
L. Skala
Affiliation:
Center for Micro-Engineered Ceramics and Department of Physics and Astronomy, University of New Mexico, NM 87131
V.M. Kenkre
Affiliation:
Center for Micro-Engineered Ceramics and Department of Physics and Astronomy, University of New Mexico, NM 87131
M.W. Weiser
Affiliation:
Center for Micro-Engineered Ceramics and Mechanical Engineering Department, University of New Mexico, NM 87131
J.D. Katz
Affiliation:
Los Alamos National Laboratories, Los Alamos, NM 87475
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Abstract

As part of a program of investigation of microwave sintering, self-consistent CNDO/2 calculations are presented for diffusion barriers and potentials for the motion of interstitial atoms and vacancies in MgO. Clusters of 30 atoms are used in the calculations. Activation energies, diffusion barriers, shape of the potentials and electron densities are obtained.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 189: Symposium L – Microwave Processing of Materials II , 1990 , 303
Copyright
Copyright © Materials Research Society 1991

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References

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