Simulation of evolving thermal conductivity in materials for nuclear fusion.

摘要：该项目将使用先进的原子模拟方法来了解聚变反应堆中使用的材料的导热系数如何随着辐射的变化而变化。背景：核聚变是产生大量无碳能源的最有前途的选择之一。热导率是关键聚变反应堆系统开发中的一个关键参数，包括面向等离子体的部件，其中快速散热是必不可少的，以及增殖包层区域，在该区域中，热量向冷却剂的传递将决定电转换效率。由于缺乏合适的实验设备，很难通过实验测定反应堆条件下的导热系数，因此，使用计算机模拟是必要的。本项目将在以前工作的基础上，利用原子模拟，特别是非平衡分子动力学(NEMD)来研究在反应堆运行过程中引入的缺陷对材料宏观导热系数的影响。特别是，你将研究将用于转向器的钨和将促进氚繁殖的锂陶瓷。您在此项目中生成的数据将被输入到更高级别的多物理模型中，从而提高我们对反应堆内环境的了解，并将用于未来反应堆的设计和建造。该项目将涉及与位于牛津郡的世界领先的库勒姆聚变能源中心(CCFE)的广泛合作，并有可能在CCFE工作更长时间。

Summary:This project will employ advanced atomistic simulation methods to understand how the thermal conductivity of materials used in fusion reactors change due to irradiation.Background:Nuclear fusion is one of the most promising options for generating large amounts of carbon-free energy. The thermal conductivity is a crucial parameter in the development of key fusion reactor systems, including the plasma facing components, where rapid heat removal is essential and the breeder blanket region where the transfer of heat to the coolant will dictate electrical conversion efficiency. Experimental determination of the thermal conductivity under reactor conditions is difficult due to the lack of appropriate facilities, therefore, the use of computer simulation is necessary.This project will build on previous work to examine how the introduction of defects during reactor operation will impact the macroscopic thermal conductivity of materials using atomistic simulation, particularly non-equilibrium molecular dynamics (NEMD). In particular, you will investigate tungsten that will be used in the diverter and lithium ceramics that will facilitate tritium breeding. The data you generate during this project will be input into higher level multi-physics models, thereby improving our understanding of the in-reactor environment and will be used in the design and construction of future reactors.The project will involve extensive collaboration with the world leading Culham Centre for Fusion Energy (CCFE) in Oxfordshire with the potential to spend extended periods of time working at CCFE.