Creation of Defect Phase Diagrams for Ordered Laves Phases

该提案的目标是在亚琛RWTH的Sandra Korte-Kerzel教授团队和不列颠哥伦比亚省大学（UBC）的Chad Sinclair教授之间建立“缺陷相位分析”领域的首次合作。相图是材料科学家和工程师最重要的工具之一，有助于指导材料化学和加工条件的正确选择，以获得所需的性能。传统上，这样的图忽略了在所有工程材料中普遍存在的缺陷（例如位错、晶界、表面）的存在。对于晶体材料，这种缺陷破坏了晶体对称性，因此与块体晶体的预测相比，可以具有不同的行为。如果可以利用缺陷的独特行为，它可以用于更好地调整材料性能，以适应广泛的应用。这项工作将结合联合收割机的专业知识，在RWTH亚琛的实验专业知识与计算工具正在开发和部署在UBC。其目的是为亚琛工业大学目前正在紧张研究的一种特殊形式的有序拉夫斯相绘制缺陷相图。

The goal of this proposal is to establish a first collaboration between the team of Prof. Sandra Korte-Kerzel at RWTH Aachen and Prof. Chad Sinclair at The University of British Columbia (UBC) in the area of 'defect phase diagrams'. Phase diagrams are one of the most important tools to materials scientists and engineers, helping to guide the proper choice of material chemistry and processing conditions to attain desired properties. Classically, such diagrams are ignorant of the presence of defects (e.g. dislocations, grain boundaries, surfaces) that are ubiquitous in all engineering materials. For crystalline materials such defects break the crystal symmetry and therefore can have a distinct behaviour compared to what would be predicted for the bulk crystal. If the distinct behaviour of defects can be harnessed it can be used to better tune material properties for a wide range of applications. This work will combine the expertise of the two research teams, the experimental expertise at RWTH Aachen with the computational tools being developed and deployed at UBC. The aim will be to develop defect phase diagrams for a particular form of ordered laves phase currently under intense study at RWTH Aachen.