2026-09-22T12:44:48Z https://www.ideals.illinois.edu/oai-pmh

oai:www.ideals.illinois.edu:2142/122056 2024-03-01 col_2142_5131 col_2142_14837 com_2142_5130 com_2142_14836 com_2142_234

Zhang, Yang 2023-12 application/pdf en text Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2024-03-01 without embargo terms The student, Vitor Ferreira Grizzi, accepted the attached license on 2023-12-04 at 15:22. The student, Vitor Ferreira Grizzi, submitted this Thesis for approval on 2023-12-04 at 15:31. This Thesis was approved for publication on 2023-12-05 at 11:47. DSpace SAF Submission Ingestion Package generated from Vireo submission #20131 on 2024-03-01 at 13:15:24 First-principles molecular dynamics study of the structure and transport properties of LiF-NaF with UF4 and ThF4 Ferreira Grizzi, Vitor Molten Salt Molecular Dynamics Intermediate-range Ordering Viscosity Density Functional Theory 2023-12-05 A thorough understanding and characterization of the thermophysical and transport properties of molten salts are essential for the efficient operation, optimized design, and safety management of Molten Salt Reactors (MSR). However, experimental investigations of molten salts for nuclear applications can be challenging due to factors such as high temperatures, corrosion, purity and composition control, as well as health and safety concerns. As an alternate approach, first-principles molecular dynamics simulations were employed to calculate the thermophysical and structural properties of eutectic LiF-NaF mixed with either UF4 or ThF4. The simulations reveal that the addition of uranium or thorium results in a pre-peak in the structure factor, which suggests intermediate-range ordering. The implications of this structural rearrangement on the salt’s properties are analyzed. This study emphasizes the connection between the salt’s structure and its properties, highlighting how the incorporation of nuclear fuel can influence the properties of the salt in an unexpected manner. Text eng https://hdl.handle.net/2142/122056 Copyright 2023 Vitor Ferreira Grizzi M.S. Thesis Nuclear, Plasma, Radiolgc Engr University of Illinois at Urbana-Champaign Nuclear, Plasma, & Rad Engr