MRI: Acquisition of a High-Throughput Small Angle X-ray Scattering Instrument for Data-Driven Materials Design

MRI：获取用于数据驱动材料设计的高通量小角度 X 射线散射仪器

• 批准号: 2116265
• 负责人: Lilo Pozzo
• 金额: $ 54.78万
• 依托单位: University of Washington
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2116265&HistoricalAwards=false
• 关键词: MRI; Acquisition; Throughput; Small; Angle

Nontechnical summaryThis Major Research Instrumentation (MRI) award is to acquire a high-throughput small angle x-ray scattering (HT-SAXS) instrument to accelerate the discovery of a wide range of nanostructured materials. Nanostructured materials are essential elements for the development of new technologies in healthcare, clean energy, and environmental sustainability among many others. The HT-SAXS instrument is especially configured to use x-rays to non-destructively analyze material structures over a broad range of size scales. This precise measurement of structure is critical to the design of materials that have specific properties (e.g. mechanical, electronic, optical) to meet the needs of their target end-use applications. The instrument is also uniquely configured to analyze a broad range of materials (e.g. polymers, gels, proteins, particles and composites) very quickly and automatically, through the use of robotic sample handling features, so that it can operate efficiently and autonomously to enable the execution of high-throughput experiments. In addition, acquisition of this instrument will see implementation of advanced data science and artificial intelligence algorithms for accelerated materials design. This HT-SAXS instrument enables a large and diverse group of researchers and students, distributed across several pacific northwest research institutions, to openly access state of the art x-ray instrumentation to meet critical needs for research, education and workforce development. Technical summaryThe HT-SAXS instrument seamlessly integrates Bonse-Hart optics for Ultra-SAXS (USAXS), pinhole SAXS and wide-angle x-ray scattering (WAXS) to analyze nanomaterials with structural features ranging from 0.1 nm to 5,000 nm. It uses motorized collimation optics, detector motion and autonomous sample-changing capabilities to enable its use in data-driven materials design problems where statistical design of experiments, advanced data visualization and knowledge extraction via machine learning is facilitated. the instrument's grazing incidence small angle scattering cell is used for the analysis of conjugated polymers, molecules and blends with commodity polymers to produce materials with optimized optoelectronic properties. The HT-SAXS instrument enables and accelerates numerous data-driven materials research projects including colloidal systems such as emulsions and nanocrystals as well as for block-copolymers, polymer blends and cyclic bottle-brush polymers, de-novo designer proteins, organic frameworks, bio-composite plastics, as well as educational activities.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

非技术摘要这项主要研究仪器（MRI）奖是为了获得高通量小角度X射线散射（HT-SAXS）仪器，以加速发现广泛的纳米结构材料。 纳米结构材料是开发医疗保健，清洁能源和环境可持续性新技术的重要因素。 HT-SAXS仪器特别配置为使用X射线在广泛的尺寸尺度上进行非破坏性分析材料结构。这种结构的精确度量对于具有特定特性（例如机械，电子，光学）的材料的设计至关重要，以满足其目标最终使用应用的需求。该仪器还具有独特的配置，可以通过使用机器人样品处理功能来非常快速，自动地分析广泛的材料（例如聚合物，凝胶，蛋白质，颗粒和复合材料），以便它可以有效，自动地操作以实现高通量实验的执行。 此外，该工具的获取将看到用于加速材料设计的高级数据科学和人工智能算法的实施。该HT-SAXS工具使一群大量的研究人员和学生分布在西北几家研究机构中，公开访问最先进的X射线仪器，以满足研究，教育和劳动力发展的关键需求。 技术总结HT-SAXS仪器无缝地集成了超XAXS（USAXS），针孔SAXS和广角X射线散射（WAXS）的Bonse-Hart光学器件，以分析具有范围为0.1 nm至5,000 nm的结构特征的纳米材料。它使用电动准直的光学元件，检测器运动和自主样品改变的功能来促进其在数据驱动的材料设计问题中的使用，其中促进了实验，高级数据可视化和通过机器学习的知识提取的统计设计。仪器的放牧发病率小角度散射细胞用于分析共轭聚合物，分子和与商品聚合物混合物，以生产具有优化光电特性的材料。 HT-saxs仪器可以启用并加速众多数据驱动的材料研究项目，包括胶体系统，例如乳液和纳米晶体，以及块状聚合物，聚合物混合物和环状瓶刷聚合物，De-Novo de-novo指定器蛋白质，有机框架，以及统像的统计活动，并反映出统计活动，以构成统计活动。值得通过基金会的智力优点和更广泛的影响审查标准来通过评估来支持。

项目成果

Multi‐Step Nucleation of a Crystalline Silicate Framework via a Structurally Precise Prenucleation Cluster

通过结构精确的预成核簇对结晶硅酸盐框架进行多步成核

• DOI: 10.1002/ange.202303770
• 发表时间: 2023
• 期刊: Angewandte Chemie
• 作者: Jin, Biao;Chen, Ying;Tao, Jinhui;Lachowski, Kacper J.;Bowden, Mark E.;Zhang, Zihao;Pozzo, Lilo D.;Washton, Nancy M.;Mueller, Karl T.;De Yoreo, James J.
• 通讯作者: De Yoreo, James J.