Microheterogeneous Thoria-Urania Fuels for Pressurized Water Reactors

A thorium-based fuel cycle for light water reactors will reduce the plutonium generation rate and enhance the proliferation resistance of the spent fuel. However, priming the thorium cycle with ²³⁵U is necessary, and the ²³⁵U fraction in the uranium must be limited to below 20% to minimize proliferation concerns. Thus, a once-through thorium-uranium dioxide (ThO2-UO2) fuel cycle of no less than 25% uranium becomes necessary for normal pressurized water reactor (PWR) operating cycle lengths. Spatial separation of the uranium and thorium parts of the fuel can improve the achievable burnup of the thorium-uranium fuel designs through more effective breeding of ²³³U from the ²³²Th. Focus is on microheterogeneous fuel designs for PWRs, where the spatial separation of the uranium and thorium is on the order of a few millimetres to a few centimetres, including duplex pellet, axially microheterogeneous fuel, and a checkerboard of uranium and thorium pins. A special effort was made to understand the underlying reactor physics mechanisms responsible for enhancing the achievable burnup at spatial separation of the two fuels. The neutron spectral shift was identified as the primary reason for the enhancement of burnup capabilities. Mutual resonance shielding of uranium and thorium is also a factor; however, it is small in magnitude. It is shown that the microheterogeneous fuel can achieve higher burnups, by up to 15%, than the reference all-uranium fuel. However, denaturing of the ²³³U in the thorium portion of the fuel with small amounts of uranium significantly impairs this enhancement. The denaturing is also necessary to meet conventional PWR thermal limits by improving the power share of the thorium region at the beginning of fuel irradiation. Meeting thermal-hydraulic design requirements by some of the microheterogeneous fuels while still meeting or exceeding the burnup of the all-uranium case is shown to be potentially feasible. However, the large power imbalance between the uranium and thorium regions creates several design challenges, such as higher fission gas release and cladding temperature gradients. A reduction of plutonium generation by a factor of 3 in comparison with all-uranium PWR fuel using the same initial ²³⁵U content was estimated. In contrast to homogeneously mixed U-Th fuel, microheterogeneous fuel has a potential for economic performance comparable to the all-UO2 fuel provided that the microheterogeneous fuel incremental manufacturing costs are negligibly small.

Axial discontinuity factors for the nodal diffusion analysis of high conversion BWR cores

High conversion LWRs concepts typically rely on a heterogeneous core configuration, where fissile zones are interspersed with fertile blanket zones in order to achieve a high conversion ratio. Modeling such a heterogeneous structure of these cores represents a significant challenge to the conventional reactor analysis methods. It was recently suggested to overcome such difficulties, in particular, for the case of axially heterogeneous reduced moderation BWRs, by introducing an additional set of discontinuity factors in axial direction at the interfaces between fissile and fertile fuel assembly zones. However, none of the existing nodal diffusion core simulators have the capability of accounting for discontinuity of homogeneous nodal fluxes in axial direction since the fuel composition of conventional LWRs is much more axially uniform. In this work, we modified the nodal diffusion code DYN3D by introducing such a capability. The new version of the code was tested on a series of reduced moderation BWR cases with Th-U233 and U-Pu-MA fuel. The library of few-group homogenized cross sections and the data required for the calculation of discontinuity factors were generated using the Monte Carlo transport code Serpent. The results obtained with the modified version of DYN3D were compared with the reference Monte Carlo solutions and were found to be in good agreement. The current analysis demonstrates that high conversion LWRs can in principle be modeled using existing nodal diffusion core simulators. © 2013 Elsevier Ltd. All rights reserved.

Reactive Many-Body Expansion for a Protonated Water Cluster.

We generalize the standard many-body expansion technique that is used to approximate the total energy of a molecular system to enable the treatment of chemical reactions by quantum chemical techniques. By considering all possible assignments of atoms to monomer units of the many-body expansion and associating suitable weights with each, we construct a potential energy surface that is a smooth function of the nuclear positions. We derive expressions for this reactive many-body expansion energy and describe an algorithm for its evaluation, which scales polynomially with system size, and therefore will make the method feasible for future condensed phase simulations. We demonstrate the accuracy and smoothness of the resulting potential energy surface on a molecular dynamics trajectory of the protonated water hexamer, using the Hartree-Fock method for the many-body term and Møller-Plesset theory for the low order terms of the many-body expansion.