Thermal Neutron Scattering Data Revision for Graphite and Beryllium

M. El Barbaria, T. El Bardounia, H. Ziania, H. El Yaakoubia, A. El Mtilia, Y. Boulaichb, C. El Younoussib aLaboratory of Radiations and Nuclear Systems, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco bNational Center for Energy Sciences and Nuclear Techniques, Rabat, Morocco

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Keeping nuclear data libraries updated is crucial for securing nuclear facilities. This study contributes to the progress made in the first-principles calculations and advancement in computational materials. Specifically, this paper describes the ab initio derivation of vibrational properties of two important materials used in nuclear facilities (graphite and beryllium) and evaluates neutron scattering cross-sections and heat transport. To this end, a study was performed with the ABINIT code package, using the carefully described structure of graphite and beryllium. Phonon spectra which affect the thermal scattering law were identified and neutron scattering cross-sections calculations were performed. The important neutron and heat transport functions were derived with the LEAPR and THERMR modules of NJOY code.

DOI:10.12693/APhysPolA.139.118 topics: ABINIT, phonons, NJOY, graphite