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The deuteron elastic and inelastic scattering on 56Fe is calculated by using the coupled-channel method and the collective motion models. Based on the experimental angular distributions of scattering processes, an optimal set of parameters are obtained for the deuteron's coupled-channel optical model potential and 56Fe's deformation including first ten low-lying excited states. The calculation results are in good agreement with the experimental data at low incident energies (Ed < 30 MeV), except for 41+(2.085 MeV) and 23+(2.960 MeV), and the deviation is found for several states at 56 MeV. That indicates further analyses and discussions are necessary.

Ab initio molecular dynamics (AIMD) methods were used to calculate the density of states (DOS) for liquid molten salt Li2BeF4 (LiF-BeF2) in different temperatures. The Egelstaff and Schofield effective width model was used to obtain the diffusion-type spectrum of the DOS and the corresponding partial s (α, β). Finally, the thermal neutron scattering data for liquid molten salt LiF-BeF2 were given.

The nuclear data on n+239,240,242,244Pu reactions for the incident energy up to 200 MeV are consistently calculated and evaluated in order to meet the design requirements of Generation-IV reactors and accelerator driven systems. The optical model, the distorted wave Born approximation theory, the Hauser-Feshbach theory, the fission model, the evaporation model, the exciton model and the intranuclear cascade model are used in the calculation, and new experimental data are taken into account. Our data are compared with experimental data and the evaluated data from JENDL-4/HE and TENDL. In addition, the variation tendency of reaction cross sections related to the target mass numbers is obtained, which is very important for the prediction of nuclear data on neutron-actinides reactions because the experimental data are lacking.

The microscopic optical potentials for Li isotopes (A=6,7) without free parameter are obtained by folding the microscopic optical potentials of their internal nucleons with density distributions generated from corresponding internal wave functions of Li isotopes. An isospin-dependent nucleon microscopic optical potential based on the Skyrme nucleon-nucleon effective interaction is used as the nucleon optical potential. Shell model is employed to construct the internal wave functions of Li isotopes and derive their density distributions of internal nucleons. The Li microscopic optical potentials are used to calculate the elastic-scattering angular distributions and reaction cross sections. The results reproduce experimental data well and are comparable to those calculated by phenomenological optical model potentials in many cases.

Based on the coherent elastic, incoherent elastic, coherent inelastic and incoherent inelastic scattering processes, a code named SIRIUS is developed to produce thermal neutron scattering data for crystals in ENDF-6 format. The phonon band structures and projected phonon densities of states of 7LiF and BeF2 crystals were calculated by Hellman-Feynman Theorem combined with a lattice dynamics direct method. Finally the thermal neutron scattering data for 7LiF and BeF2 crystals are given.