Exploration of local structural environment in radiation damage tolerant materials

高熵合金是一类相对较新的材料，代表了一种基于以近等原子比例组合多种元素的新型合金设计策略。该领域基于四个核心原则，其中许多直接涉及系统内的原子尺度结构效应，如局部原子位移和构型环境。这些材料正在研究一些可能的应用。一些高熵和中熵合金表现出的一个潜在的有益特性是核应用的辐射损伤耐受性，这被认为与当地环境有关。全散射是一种衍射方法，它基于对样品中X射线/中子散射产生的图案进行检测，提供了对材料系统中局部原子环境的探测。大箱建模方法的发展，反向蒙特卡罗，已经提供了有用的见解，在主机的复杂的化学系统，功能氧化物和金属有机框架的总散射数据。最近，该技术的应用已被证明是探索局部效应，如短程有序，在简单的二元金属系统。这个博士项目将着眼于总散射的辐射损伤耐受材料的研究中的应用。将选择表现出有前途的耐辐射损伤性能的材料。将测试材料的物理特性，并将其与底层局部结构相关联。

High entropy alloys, a relatively new class of materials, represent a novel alloy design strategy based on combining multiple elements in near-equiatomic proportions. The field is based on four core principles, many of which directly relate to atomic scale structural effects within the system, such as local atomic displacements and configurational environments. These materials are being investigated for a number of possible applications. One potential beneficial property demonstrated by some high- and medium-entropy alloys is radiation damage tolerance for nuclear applications, which it has been suggested relates to the local environment. Answering questions about the local atomic environment in these materials is essential if they are to be tuned for purpose.Total scattering, a type of diffraction method based on examining the pattern produced by X-rays/Neutrons scattered from a sample, provides a probe of the local atomic environment in material systems. The development of large box modelling methods, Reverse Monte Carlo, has already provided useful insights in a host of complex chemical systems, functional oxides and metal organic frameworks from total scattering data. Recently, the application of the technique has been demonstrated for exploring local effects, such as short-range order, in simple binary metallic systems. This PhD project will look at the application of total scattering to the study of radiation damage tolerant materials. Materials demonstrating promising radiation damage tolerant properties will be selected. The physical properties of the material will be tested and correlated with the underlying local structure.