Development of microstructural simulation tools for fusion materials

核聚变技术进步的一个关键限制是关键反应堆部件材料的开发，这些材料能够承受服役期间的巨大热流和压力。为了加快材料开发进程，英国原子能管理局(UKAEA)开展了一项大规模的模拟研究工作，以预测这些材料在极端条件下的反应，并确定了在微观结构尺度上迫切需要新的材料模型。在博士学位期间，您将使用灵活、适应性强且用户友好的多物理框架为Fusion社区开发这些微结构建模功能。框架的发展将受到跨越熔化材料极端的特定材料问题的驱动：循环高热流对耐火材料W变形的影响以及析出对CuCrZr合金力学性能的影响。您将首先使用全场晶体塑性和析出模型来评估在使用中的铜铬锆合金过时效过程中塑性对温度和溶质扩散的依赖关系。随后，这将与体心立方晶体中非施密德效应的热激活位错驱动模型相结合，以解决在使用过程中在纯W中产生的循环热载荷和二次应力的问题。局部应力(右)和应变(中)映射到30%冷轧和再结晶代表性体积单元的变形构形(左)。使用锦缎进行晶体塑性模拟。这项工作将使用DAMASK模拟工具包(Damask.mpe.de)执行，您将有机会为其开发做出贡献。你将与其他博士生和资深研究人员密切合作，使用他们的数据来帮助开发新的模型和获取材料参数。您还将访问曼彻斯特大学的高性能计算设施和国家设施

A key limitation in the advancement of nuclear fusion technologies is the development of materials for critical reactor components capable of withstanding enormous heat fluxes and stresses during service. To accelerate the materials development process, the UK Atomic Energy Authority (UKAEA) has undertaken a large-scale modelling research effort to predict the response of these materials under extreme conditions and have identified an urgent need for new material models at the microstructural scale. During your PhD, you will develop these microstructural modelling capabilities for the fusion community with a multi-physics framework that is flexible, adaptable and user-friendly. The framework development will be driven by specific materials problems spanning the extremes of fusion materials: the effect of cyclic high heat flux on deformation in refractory W and the effect of evolving precipitation on the mechanical properties of Cu-Cr-Zr alloys. You will start by using full-field crystal plasticity and precipitation modelling to assess the dependence of plasticity on temperature and solute diffusion during the over-aging of Cu-Cr-Zr alloys while in service. Later, this will be combined with thermally activated dislocation-driven models for non-Schmid effects in BCC crystals to address the problem of cyclic heat loads and secondary stresses that develop in pure W during service.Local stresses (right) and strains (mid) mapped onto the deformed configuration of the 30% cold-rolled and recrystallized representative volume element (left). Crystal plasticity simulations performed using DAMASK. This work will be performed using the DAMASK simulation kit (damask.mpie.de), and you will have the opportunity to contribute to its development. You will work closely with other PhD students and senior researchers, using their data to help develop new models and obtain materials parameters. You will also have access to high-performance computing facilities at the University of Manchester and national facilities