Effect of Excess Mg to Control Corrosion in Molten MgCl2 and KCl Eutectic Salt Mixture.
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Engineering topics
Publications and source records attributed to Weck, Philippe F.
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This report represents completion of milestone deliverable M2SF-18SNO10309013 "Inventory and Waste Characterization Status Report and OWL Update that reports on FY2018 activities for the work package (WP) SF-18SNO1030901. This report provides the detailed final information for completed FY2018 work activities for WP SF-18SN01030901, and a summary of priorities for FY2019. This status report on FY2018 activities includes evaluations of waste form characteristics and waste form performance models, updates to the OWL development, and descriptions of the two planned management processes for the OWL. Updates to the OWL include an updated user's guide, additions to the OWL database content for wastes and waste forms, results of the Beta testing and changes implemented from it. There are two processes being planned in FY2018, which will be implemented in FY2019. One process covers methods for interfacing with the DOE SNF DB (DOE 2007) at INL on the numerous entries for DOE managed SNF, and the other process covers the management of updates to, and version control/archiving of, the OWL database. In FY2018, we have pursued three studies to evaluate/redefine waste form characteristics and/or performance models. First characteristic isotopic ratios for various waste forms included in postclosure performance studies are being evaluated to delineate isotope ratio tags that quantitatively identify each particular waste form. This evaluation arose due to questions regarding the relative contributions of radionuclides from disparate waste forms in GDSA results, particularly, radionuclide contributions of DOE-managed SNF vs HLW glass. In our second study we are evaluating the bases of glass waste degradation rate models to the HIP calcine waste form. The HIP calcine may likely be a ceramic matrix material, with multiple ceramic phases with/without a glass phase. The ceramic phases are likely to have different degradation performance from the glass portion. The distribution of radionuclides among those various phases may also be a factor in the radionuclide release rates. Additionally, we have an ongoing investigation of the performance behavior of TRISO particle fuels and are developing a stochastic model for the degradation of those fuels that accounts for simultaneous corrosion of the silicon carbide (SiC) layer and radionuclide diffusion through it. The detailed model of the TRISO particles themselves, will be merged with models of the degradation behavior(s) of the graphite matrix (either prismatic compacts or spherical "pebbles") containing the particles and the hexagonal graphite elements holding the compacts.
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Here, the shock Hugoniot for full-density and porous CeO 2 was investigated in the liquid regime using ab initio molecular dynamics (AIMD) simulations with Erpenbeck's approach based on the Rankine-Hugoniot jump conditions. The phase space was sampled by carrying out NVT simulations for isotherms between 6000 and 100 000 K and densities ranging from ρ = 2.5 to 20 g/cm 3 . The impact of on-site Coulomb interaction corrections +U on the equation of state (EOS) obtained from AIMD simulations was assessed by direct comparison with results from standard density functional theory simulations. Classical molecular dynamics (CMD) simulations were also performed to model atomic-scale shock compression of larger porous CeO 2 models. Results from AIMD and CMD compression simulations compare favorably with Z-machine shock data to 525 GPa and gas-gun data to 109 GPa for porous CeO 2 samples. Using results from AIMD simulations, an accurate liquid-regime Mie-Grüneisen EOS was built for CeO 2 . In addition, a revised multiphase SESAME-type EOS was constrained using AIMD results and experimental data generated in this work. This study demonstrates the necessity of acquiring data in the porous regime to increase the reliability of existing analytical EOS models.
This report provides an update to Sassani et al. (2016) and includes: (1) an updated set of inputs (Sections 2.3) on various additional waste forms (WF) covering both DOE-managed spent nuclear fuel (SNF) and DOE-managed (as) high-level waste (HLW) for use in the inventory represented in the geologic disposal safety analyses (GDSA); (2) summaries of evaluations initiated to refine specific characteristics of particular WF for future use (Section 2.4); (3) updated development status of the Online Waste Library (OWL) database (Section 3.1.2) and an updated user guide to OWL (Section 3.1.3); and (4) status updates (Section 3.2) for the OWL inventory content, data entry checking process, and external OWL BETA testing initiated in fiscal year 2017.
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