Advanced computational modelling for the development of nuclear reactor materials

该提案建议利用主要研究者艾米丽科科伦博士的热力学专业知识以及COG、UNENE和CFM的资助和支持，以协助和加强对核反应堆材料的理解和开发，同时培养和鼓励有意愿的人才，以支持加拿大核工业的举措。提出了三个独立的项目，这是感兴趣的核工业。 即： 第一章 替代铍钎焊材料的热力学模型将有助于核工业确定可替代目前使用的潜在有毒铍钎焊的最佳替代材料; （二） 核燃料棒束应力腐蚀开裂缓解技术的计算模型将有助于加深对应力腐蚀开裂现象的理解，这将有助于工业界确定替代缓解战略并提高运行利润率; 第三章 开发用于核燃料的钼（Mo）基氧传感器将提高对核燃料中的Mo裂变产物作为氧分压的函数的行为的认识。数据，作为氧分压的函数，将被收集在金属和氧化物相，在UO 2 +x相，MoO 2相的非化学计量的MoO 2的溶解度和UMoO 6的形成上的Mo的相部分。 这些数据将有助于开发一种用于确定高燃耗核燃料中局部氧分压的法医学方法，该方法可应用于有缺陷燃料和先进燃料的辐照后检查。这些数据也将有助于我们加拿大热力学核燃料模型的发展。

This proposal recommends that the thermodynamic expertise of the principal investigator, Dr. Emily Corcoran and the funding and support of COG, UNENE and CFM be leveraged to assist and enhance the understanding and development of nuclear reactor materials while nurturing and encouraging willing talent in support of the Canadian Nuclear industry initiatives. Three separate projects, which are of interest to the nuclear industry, are proposed. Namely: 1) Thermodynamic modelling of alternative Be-replacement brazing materials will assist the nuclear industry to identify of the best alternative material that could replace, the potentially toxic, beryllium braze utilized currently; 2) Computational modelling of stress corrosion cracking mitigation techniques for nuclear fuel bundles, will lead to an improved understanding of SCC phenomenon, which could assist the industry to determine alternative mitigation strategies and improve operational margins; and 3) Developing a Molybdenum (Mo)-based oxygen sensor for nuclear fuel will improve knowledge of the behavior of the Mo fission product in the nuclear fuel as a function of oxygen partial pressure. Data, as a function of oxygen partial pressure, will be gathered on the phase portion of Mo in the metal and oxide phases, the solubility MoO2 in the UO2+x phase, the non-stoichiometry of MoO2 phase and the formation of UMoO6. This data will assist in developing a forensic methodology for determining the local oxygen partial pressure in high burnup nuclear fuel, which has applications in post irradiation examination of defective fuel and advanced fuel. This data will also assist in the development of our Canadian thermodynamic nuclear fuel model.