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Many projects involving nuclear fuel rest on a quantitative understanding of the co-existing phases at various stages of burnup. Since the fission products have considerably different abilities to chemically associate with oxygen, and the metal-to-oxygen molar ratio is necessarily increasing, the chemical potential of oxygen is a function of burnup. Concurrently, well-recognized small fractions of new phases such as inert gas, noble metals, zirconates, etc. also develop. To further complicate matters, the dominant UO2 fuel phase may be non-stoichiometric and most of the minor phases themselves have a variable composition dependent on temperature and possible contact with the coolant in the event of a sheathing breach.A thermodynamic database has been in development to predict the phases in partially burned CANDU (CANada Deuterium Uranium) nuclear fuel containing the major fission products. The building blocks are the standard Gibbs energies of formation of the many possible compounds expressed as a function of temperature. To these data are added mixing terms associated with the appearance of the component species in particular phases. In operational terms, the treatment rests on the ability to minimize the Gibbs energy in a multicomponent system using the algorithms developed by Eriksson. The treatment, considered applicable in the range 300 to 2000 °C, is capable of handling non-stoichiometry in the UO2 fluorite phase, dilute solution behaviour of significant solute oxides, noble metal inclusions, a second metal solid solution U(Pd – Rh – Ru)3, zirconate, molybdate, and uranate solutions as well as other minor solid phases, and volatile gaseous species. The paper highlights the current capability of an ongoing project.

The aim of this study was to quantify the dose enhancement by gadolinium and gold nanoparticles in brachytherapy. MCNPX Monte Carlo code was used to simulate four brachytherapy sources: (60)Co, (198)Au, (192)Ir, (169)Yb. To verify the accuracy of our simulations, the obtained values of dose rate constants and radial dose functions were compared with corresponding published values for these sources. To study dose enhancements, a spherical soft tissue phantom with 15 cm in radius was simulated. Gadolinium and gold nanoparticles at 10, 20 and 30 mg/ml concentrations were separately assumed in a 1 × 1 × 1 cm(3) volume simulating tumour. The simulated dose to the tumour with the impurity was compared to the dose without impurity, as a function of radial distance and concentration of the impurity, to determine the enhancement of dose due to the presence of the impurity. Dose enhancements in the tumour obtained in the presence of gadolinium and gold nanoparticles with concentration of 30 mg/ml, were found to be in the range of -0.5-106.1 and 0.4-153.1 % respectively. In addition, at higher radial distances from the source center, higher dose enhancements were observed. GdNPs can be used as a high atomic number material to enhance dose in tumour volume with dose enhancements up to 106.1 % when used in brachytherapy. Regardless considering the clinical limitations of the here-in presented model, for a similar source and concentration of nanoparticles, gold nanoparticles show higher dose enhancement than gadolinium nanoparticles and can have more clinical usefulness as dose enhancer material.

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