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Numerical Verification of Equilibrium Thermodynamic Computations in Nuclear Fuel Performance Codes...

by Markus Piro, Theodore M Besmann, Srdjan Simunovic, Brian Lewis, William Thompson
Publication Type
Journal
Journal Name
Journal of Nuclear Materials
Publication Date
Page Numbers
399 to 407
Volume
414
Issue
3

There is an increasing desire to integrate thermodynamic computations directly into
multi-physics nuclear fuel performance and safety codes. These computations provide, among
other matters, boundary conditions in heat and mass transport modules in predicting fuel behaviour.
Precision must be maintained in computations involving fission and activation products with very
low concentrations which may nonetheless have significant radiological consequences. Also, there
is the concern about the propagation of numerical errors in multi-physics codes. A method to
numerically verify equilibrium thermodynamic computations is therefore necessary to satisfy
rigorous quality assurance standards of the nuclear industry without significantly impeding
computational performance. A technique is presented that can be applied to systems of any number
of phases and system components. The technique is reliable and comprehensive in ensuring that all
conceivable equilibrium constants have been satisfied without having to formulate each one of a
potentially very large number.