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TAF-ID: An international thermodynamic database for nuclear fuels applications
Calphad ( IF 1.9 ) Pub Date : 2020-11-11 , DOI: 10.1016/j.calphad.2020.102212
C. Guéneau , N. Dupin , L. Kjellqvist , E. Geiger , M. Kurata , S. Gossé , E. Corcoran , A. Quaini , R. Hania , A.L. Smith , M.H.A. Piro , T. Besmann , P.E.A. Turchi , J.C. Dumas , M.J. Welland , T. Ogata , B.O. Lee , J.R. Kennedy , C. Adkins , M. Bankhead , D. Costa

The Thermodynamics of Advanced Fuels – International Database (TAF-ID) was developed using the Calphad method to provide a computational tool to perform thermodynamic calculations on nuclear fuel materials under normal and off-normal conditions. Different kinds of fuels are considered: oxide, metallic, carbide and nitride fuels. Many fission products are introduced as well as structural materials (e.g., zirconium, steel, concrete, SiC) and absorbers (e.g., B4C), in order to investigate the thermochemistry of irradiated fuels and to predict their chemical interaction with the surrounding materials. The approach to develop the database and the models implemented in the database are described. Examples of models for key chemical systems are presented. Finally, a few examples of application calculations on severe accidents with UO2 fuels, irradiated fuel chemistry of MOX and metallic fuels and metallic fuel/cladding interaction show how this tool can be used. To validate the database, the calculations are compared to the available experimental data. A good agreement is obtained which gives confidence in the maturity degree and quality of the TAF-ID database. The working version is only accessible to the participants of the TAF-ID project (Canada, France, Japan, the Netherlands, Republic of Korea, United Kingdom, USA). A public version is accessible by all the NEA countries. The current version contains models on the Am–Fe, Am–Np, Am-O-Pu, Am–U, Am–Zr, C–O–U-Pu, Cr–U, Np–U, Np–Zr, O–U–Zr, Re–U, Ru–U, Si–U, Ti–U, U-Pu-Zr, U–W systems. It is progressively extended with our published assessments. Information on how to join the project is available on the website: https://www.oecd-nea.org/science/taf-id/.



中文翻译:

TAF-ID:核燃料应用的国际热力学数据库

使用Calphad方法开发了先进燃料的热力学-国际数据库(TAF-ID),以提供一种计算工具,可以在正常和异常条件下对核燃料材料进行热力学计算。考虑了不同种类的燃料:氧化物,金属,碳化物和氮化物燃料。引入了许多裂变产物以及结构材料(例如锆,钢,混凝土,SiC)和吸收剂(例如B 4C),以便研究辐照燃料的热化学并预测其与周围材料的化学相互作用。描述了开发数据库的方法和在数据库中实现的模型。介绍了关键化学系统模型的示例。最后,列举一些有关UO 2严重事故的应用计算示例燃料,MOX和金属燃料的辐照燃料化学以及金属燃料/覆层的相互作用说明了如何使用此工具。为了验证数据库,将计算结果与可用的实验数据进行比较。获得了良好的协议,这使人们对TAF-ID数据库的成熟度和质量充满信心。TAF-ID项目的参与者(加拿大,法国,日本,荷兰,大韩民国,英国,美国)只能使用该工作版本。NEA的所有国家/地区都可以使用其公开版本。当前版本包含以下模型:Am–Fe,Am–Np,Am-O-Pu,Am–U,Am–Zr,C–O–U-Pu,Cr–U,Np–U,Np–Zr,O –U–Zr,Re–U,Ru–U,Si–U,Ti–U,U-Pu-Zr,U–W系统。随着我们发布的评估逐渐扩展。有关如何加入该项目的信息,请访问以下网站:https:// www。

更新日期:2020-11-12
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