February 2012

Book Chapter

Ch. 33 Modeling: Computational Thermodynamics

By:
Besmann, Theodore M
Page Number:
455
Book Title:
Comprehensive Nuclear Materials
Publication Date:
February 2012
Publisher Location:
Elsevier, Amsterdam, Netherlands

Abstract

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.