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The Sublattice Model

Published online by Cambridge University Press:  15 February 2011

BO Sundman  and
John Ågren
BO Sundman
Affiliation:
Division of Physical Metallurgy, Royal Institute of Technology, S-100 44Stockholm, Sweden
John Ågren
Affiliation:
Division of Physical Metallurgy, Royal Institute of Technology, S-100 44Stockholm, Sweden
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Abstract

A thermodynamic model, based on the regular solution approximation is presented and a formalism, suitable for phases with an arbitrary number of elements and sublattices is described. A new concept, the component array, is introduced in order to simplify the analytical expressions for the Gibbs energy. The mathematical complexity of the model has been solved by the implementation of the model as a part of a general software system for thermochemical and phase diagram calculations by computer.

The sublattice model is suitable for describing phases where the difference in size, charge or electronegativity causes a deviation from random mixing of the atoms in a manner which can be described as long range order. This is the case for interstitial solutions and many intermetallic phases, but also for ionic liquids and slag systems. The application of the model to several alloy system will be described.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 19: Symposium E – Alloy Phase Diagrams , 1982 , 115
Copyright
Copyright © Materials Research Society 1983

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References

REFERENCES

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