Advanced reactor concepts span the spectrum from heat pipe-cooled microreactors, through thermal and fast molten-salt reactors, to gas-and salt-cooled pebble bed reactors. The modeling and simulation of each of these reactor types comes with their own geometrical complexities and multiphysics challenges. However, the common theme for all nuclear reactors is the necessity to be able to accurately predict neutron distribution in the presence of multiphysics feedback. We argue that the current standards of modeling and simulation, which couple single-physics, single-reactor-focused codes via ad hoc methods, are not sufficiently flexible to address the challenges of modeling and simulation for advanced reactors. In this work, we present the Multiphysics Object Oriented Simulation Environment (MOOSE)-based radiation transport application Rattlesnake. The use of Rattlesnake for the modeling and simulation of nuclear reactors represents a paradigm shift away from makeshift data exchange methods, as it is developed based on the MOOSE platform with its very natural form of shared data distribution. Rattlesnake is well equipped for addressing the geometric and multiphysics challenges of advanced reactor concepts because it is a flexible finite element tool that leverages the multiphysics capabilities inherent in MOOSE. This paper focuses on the concept and design of Rattlesnake. We also demonstrate the capabilities and performance of Rattlesnake with a set of problems including a microreactor, a molten-salt reactor, a pebble bed reactor, the Advanced Test Reactor at the Idaho National Laboratory, and two benchmarks: a multiphysics version of the C5G7 benchmark and the LRA benchmark.

We present a new method for predicting effective thermal conductivity (κ eff ) in materials, informed by ab initio material property simulations. Using the Boltzmann transport equation in a Self-Adjoint Angular Flux formulation, we performed simulations in silicon at room temperatures over length scales varying from 10 nm to 10 µm and report temperature distributions, spectral heat flux and thermal conductivity. Our implementation utilizes a Richardson iteration on a modified version of the phonon scattering source. In this method, a closure term is introduced to the transport equation which acts as a redistribution kernel for the total energy bath of the system. This term is an effective indicator of the degree of disorder between the spectral phonon radiance and the angular phonon intensity of the transport system. We employ polarization, density of states and full dispersion spectra to resolve thermal conductivity with numerous angular and spatial discretizations.

We present a method for solving the Boltzmann transport equation (BTE) for phonons by modifying the neutron transport code Rattlesnake which provides a numerically efficient method for solving the BTE in its self-adjoint angular flux (SAAF) form. Using this approach, we have computed the reduction in thermal conductivity of uranium dioxide (UO2) due to the presence of a nanoscale xenon bubble across a range of temperatures. For these simulations, the values of group velocity and phonon mean free path in the UO2 were determined from a combination of experimental heat conduction data and first principles calculations. The same properties for the Xe under the high pressure conditions in the nanoscale bubble were computed using classical molecular dynamics (MD). We compare our approach to the other modern phonon transport calculations, and discuss the benefits of this multiscale approach for thermal conductivity in nuclear fuels under irradiation.

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