Subjects: Physics >> Nuclear Physics Subjects: Nuclear Science and Technology >> Reprocessing Technology of Spent Nuclear Fuel submitted time 2023-06-20
Abstract: First principle is applied to the calculation of thermal neutron cross section of thermal neutron scattering materials in nuclear engineering field. In this paper, Al and Bi metals are used as examples to make thermal neutron cross section, respectively, based on the first principle, the frozen phonon method and density functional perturbation method are used. Using VASP and PHONONY, the phonon dispersion relation and phonon state density were calculated. Based on NJOY, Bi coherent scattering was added to LEAPR, and the thermal neutron scattering cross-section libraries of Al and Bi were generated. Results show that for Al, compared with the frozen phonon method, thermal neutron scattering cross section obtained by the density functional perturbation theory is in good agreement with ENDF8.0. For Bi, the imaginary frequency phenomenon of the frozen phonon method is eliminated by density functional perturbation method, and the results of thermal neutron scattering are in good agreement with the experimental results. In this paper, a more basic and predictable method for generating thermal neutron cross-section is proposed from the aspect of exploring the internal characteristic mechanism of the material, which lays a theoretical foundation for studying the thermal mechanism of the nuclear material of the new reactor.
Subjects: Nuclear Science and Technology >> Reprocessing Technology of Spent Nuclear Fuel submitted time 2022-05-28
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Peer Review Status:Awaiting Review