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Thermodynamics of the System Ag2se-Ag2s: A Molecular Dynamics Study

Published online by Cambridge University Press:  21 February 2011

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

We report on Molecular Dynamics (MD) studies of free energy and vibrational entropy differences of the binary system Ag2Se-Ag2S as function of temperature. We have employed the methods of adiabatic switching and temperature integration over a reversible path to obtain the phase diagram. We discuss the nature of the entropy difference in terms of ion mobility and previous MD calculations of diffusion rates in these systems.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 398: Symposium C – Thermodynamics and Kinetics of Phase Transformations , 1995 , 531
Copyright
Copyright © Materials Research Society 1998

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References

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