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Generation of thermal neutron scattering libraries for beryllium carbide

Beryllium carbide is under investigation as a possible structural or moderator material in fission and fusion systems. While many of the physical properties of beryllium carbide have already been studied, neutronic properties such as the thermal scattering cross-section are not well known. The purpose of this work is to evaluate the scattering cross section of beryllium carbide through quantum mechanical ab-initio simulations. In benchmarking the calculation, physical properties such as the lattice parameter and heat capacity are also computed and compared against measured data.