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Thermodynamics of the System Ag2se-Ag2s: A Molecular Dynamics Study
Published online by Cambridge University Press: 21 February 2011
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.
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- Copyright © Materials Research Society 1998
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