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Mobility of Ag Atoms in the Binary System Ag2Se-Ag2S: A Molecular Dynamics Study

Published online by Cambridge University Press:  10 February 2011

A. Smith,
R. Ravelo and
N. Pingitore
A. Smith
Affiliation:
Department of Physics and Materials Research Institute, University of Texas, El Paso, TX 79968
R. Ravelo
Affiliation:
Department of Physics and Materials Research Institute, University of Texas, El Paso, TX 79968
N. Pingitore
Affiliation:
Department of Geological Sciences and Materials Research Institute, University of Texas, El Paso, TX 79968
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Abstract

The compounds in the binary system Ag2Se-Ag2S are known to undergo a phase transition to a superionic phase at a temperature which varies with concentration. The diffusion mechanism of Ag ions have been studied in a Molecular Dynamics formalism. We have calculated the diffusion coefficient as function of temperature and concentration and have calculated the activation energy for diffusion from the Arrhenius plot of D Ag vs temperature. Results obtained for the end points Ag2Se and Ag2S agree with experimental measurements.

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References

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