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Ch. 33 Modeling: Computational Thermodynamics...

by Theodore M Besmann
Publication Type
Book Chapter
Publication Date
Page Number
455
Publisher Name
Elsevier
Publisher Location
Amsterdam, Netherlands

This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.