Modelling the thermal performance of Accident Tolerant Fuels based on UN

世界上最大的燃料制造商之一西屋电气公司和班戈大学之间的一个合作项目将着手提供基于氮化铀的燃料概念中导热性和导热性退化的机理理解。与UO2相比，氮化铀具有优越的铀密度和导热性，是一种领先的事故容忍燃料（ATF）候选系统。尽管有这些有利的特性，UN与水有强烈的反应，需要某种钝化。还将研究钝化UN的添加剂/方法。在班戈大学和世界各地开发的原子尺度建模方法将用于评估三个关键领域的导热性：1。模拟UN的热导率（TC）以提供基线值-与世界各地的其他小组合作，包括洛斯阿拉莫斯国家实验室，KTH和伦敦帝国理工学院。建立一个模型，给出复合UN燃料的有效导热系数。建立了系统导热系数下降（TCD）模型。一系列的技术将被瞄准，包括基于密度泛函理论（DFT）和经典势的原子尺度建模方法，以及连续体建模方法。实验评估也可以使用班戈大学的MERLIN实验室进行，该实验室能够处理和研究铀化合物。作为CDT的一部分，学生不仅要完成课程，还要定期与行业赞助商互动。作为美国能源部事故容忍燃料计划的一部分，该项目将具有国际知名度和影响力。

A collaborative project between one of the world's largest fuel manufacturers - Westinghouse Electric Company - and Bangor University - will set out to provide a mechanistic understanding of thermal conductivity and thermal conductivity degradation in fuel concepts based on uranium nitride. Uranium nitride is a leading Accident Tolerant Fuel (ATF) candidate system due to its superior uranium density and thermal conductivity compared to UO2. Despite these advantageous properties, UN has a strong reaction with water that requires passivation of some kind. The additives/methods to passivate the UN will also be investigated.Atomic scale modelling methods developed here in Bangor University and around the world will be used to assess the thermal conductivity in three key areas:1. Model the thermal conductivity (TC) of UN to provide a baseline value - working with other groups around the world including Los Alamos National Laboratory, KTH and Imperial College London.2. Develop a model giving the effective thermal conductivity of composite UN fuel.3. Develop a thermal conductivity degradation (TCD) model for system.A range of techniques will be targeted including atomic scale modelling methods based on density functional theory (DFT) and classical potentials, as well as continuum modelling methods. Experimental assessment may be carried out too using Bangor University's MERLIN laboratories, able to handle and investigate uranium compounds.The student will be expected to not only complete the courses as part of the CDT but also interact regularly with the industry sponsor. As part of the US-DOE Accident Tolerant Fuels program, this project will have an international visibility and impact.