Hostname: page-component-6dbcb7884d-64ff6 Total loading time: 0 Render date: 2025-02-14T00:45:54.549Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Sundman, B., Ågren, J., J. Phys. Chem. Solids, 42 (1981) pp 297–301.Google Scholar
2. Hertzman, S., Sundman, B., Calphad 6 (1982) pp 67–80.Google Scholar
3. Guillermet, A. F., Calphad 6 (1982) pp 127–140.Google Scholar
4. Andersson, J.-O., unpublished research.Google Scholar
5. Ågren, J., unpublished research.Google Scholar
6. Temkin, M., Acta Phys. Chim. USSR 20 (1945) pp 411–420.Google Scholar
7. Blander, M., J. Chem. Phys. 39 (1963) p 2610.Google Scholar
8. Guillermet, A. F., Hillert, M., Jansson, B., Sundman, B., Met. Trans. 12B (1981) pp 745–754.Google Scholar
9. Sharma, R. C., Chang, Y. A., Met. Trans. 10B (1979) pp 103–108.Google Scholar
10. Brebrick, R. F., Met. Trans. 13A (1982) pp 1107–1114.Google Scholar
11. Jansson, B., Internal report D19 (1979), Royal Institute of Technology, Stockholm, Sweden.Google Scholar