In-situ studies of 3D microstructure evolution and spectroscopic imaging during processing and manufacturing of advanced materials

随着新材料的开发和新的合成和制造工艺的优化，需要完全了解微观结构细节，如晶粒度分布和晶体取向、物相组成、非均相界面元素的互扩散、气孔、空洞或微裂纹的存在、界面结合等。X射线显微镜(XRM)的最新进展，以及在制造光谱探测器方面的不断努力，允许同时检测3D微观结构图和3D化学成像，为基于知识的材料和工艺的并行开发开辟了全新的途径。不来梅大学材料和加工中心计划与材料科学、工程、加工、制造、建模、工业数学和信息技术等领域的七个研究所共同努力，购买、进一步开发和密集使用一个新的XRM设施。从一台商用的XRM仪器开始，一方面，我们将建立一个与扫描电子显微镜/FIB仪器相关的工作流程，该仪器增加了微型X射线荧光和电子散射式X射线光谱分析模块。另一方面，我们将通过曼彻斯特大学的合作伙伴制造的CdTe HEXITEC光谱探测器来扩展XRM的探测能力。此外，应开发一套附件，用于在XRM样品室中放置热、机械或化学载荷下的材料样品，以便能够在现场研究此类载荷对材料微观结构和成分的影响。严酷的加工和制造的影响，如烧结、焊接或机械加工，将在现场调查，因为它将是添加剂制造过程中的微观结构和成分变化。材料类将特别但不限于先进金属、碳增强聚合物和多孔陶瓷，重点关注非均质界面、非平衡合金、复杂结构和传感器集成。从测量中收集的数据将使用现有的软件解决方案和临时开发的新软件进行分析和可视化。我们将集中在可用性和互动性方面，以确保调查科学家和调查材料之间的最佳接口。收集的大量材料数据将以可搜索数据库的形式与适当定义的索引元数据一起存储。最后，观察到的材料微观结构和工艺引起的变化将通过在所有尺寸尺度上执行精确模拟的手段来合理化，采用量子力学、经典原子论和粗晶以及微观结构演变模拟方法，单独或相互结合，遵循综合计算材料工程方法。

The development of novel materials concomitantly with the optimization of novel synthesis and manufacturing processes requires a complete understanding of microstructural details such as grain size distribution and crystallographic orientation, phase composition, element interdiffusion at heterogeneous interfaces, presence of pores, voids or microcracks, interfacial bonding, etc. Recent advances of X-Ray Microscopy (XRM) together with on-going efforts into fabricating spectroscopic detectors that allow a simultaneous detection of 3D microstructural maps and 3D chemical imaging open wholly new ways for a knowledge-based, concurrent development of materials and processes. The MAPEX Center for Materials and Processes of the University of Bremen plans to acquire, further develop and intensively use a new XRM facility, in a joint effort of seven institutes covering the fields of Materials Science, Engineering, Processing, Manufacturing, Modelling, Industrial Mathematics and Information Technology. Starting from a commercially available XRM instrument, on one side we will establish a correlated workflow with a SEM/FIB instrument augmented with micro X-Ray Fluorescence and Electron Dispersive X-ray Spectroscopy modules. On the other side we will expand the detecting capability of the XRM by means of a CdTe HEXITEC spectroscopic detector fabricated by our cooperation partners at the University of Manchester. Furthermore, a set of accessories to place materials samples under thermal, mechanical or chemical load in the XRM sample chamber shall be developed to enable in-situ studies of the effects of such loads on the materials microstructure and composition. The effect of harsh processing and manufacturing, such as sintering, welding or machining, will be investigated in-situ, as it will be the microstructural and compositional changes during additive manufacturing processes. Materials classes will comprise especially, but not exclusively, advanced metals, carbon-reinforced polymers, and porous ceramics, with a strong focus on heterogeneous interfaces, out-of-equilibrium alloys, complex architectures and sensor integration. The data collected from the measurements will be analyzed and visualized both using available software solutions and new software developed ad hoc. We will concentrate on aspects of usability and interactivity to guarantee an optimal interface between investigating scientist and investigated material. The large amount of collected material data will be stored in the form of a searchable database along with appropriately defined indexing metadata. Finally, the observed materials microstructures and process-induced changes will be rationalized by means of accurate simulations performed at all size scales, employing quantum mechanical, classical atomistic and coarse-grained as well as microstructure evolution simulation methods, alone or in mutual combinations, following an Integrated Computational Materials Engineering approach.