Collaborative Research: Integrated Computational and Experimental Studies of Solid Oxide Fuel Cell Electrode Structural Evolution and Electrochemical Characteristics

合作研究：固体氧化物燃料电池电极结构演化和电化学特性的综合计算和实验研究

• 批准号: 1506055
• 负责人: Katsuyo Thornton
• 金额: $ 40.72万
• 依托单位: Regents of the University of Michigan - Ann Arbor
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-08-01 至 2020-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1506055&HistoricalAwards=false
• 关键词: Collaborative; Research; Integrated; Computational; Experimental; Collaborative; Research; Integrated; Computational; Experimental

NON-TECHNICAL DESCRIPTION: Solid oxide fuel cells, which are currently in early-stage commercialization, provide an important means for clean efficient conversion of fuels to electricity, and electricity to fuels, as well as for electricity storage. More research and development, particularly for understanding long-term durability, are critically needed to achieve widespread application. This study integrates timely and unique approaches to achieve a deep understanding of fuel cell electrode materials performance and degradation, ultimately allowing design of higher performance, longer-lived fuel cells. A key feature of the project is the use of three-dimensional image data to develop and ultimately validate two types of computational models: (1) performance simulations utilizing measured three-dimensional structure are developed and vetted by comparison with experimentally measured electrode performance, and (2) measured changes in electrode structure before and after fuel cell operation are compared directly with simulated structural evolution. Tools developed for 3D imaging, simulation, and data analysis with large data sets are relevant to many other materials systems. The results are relevant to many communities, ranging from modelers who can utilize three-dimensional data and simulation methods, to industrial developers who can use the results to help improve their fuel cells.TECHNICAL DETAILS: This project aims to study solid oxide fuel cell performance and long-term stability, utilizing three-dimensional imaging of fuel cell structure using state-of-the-art electron and x-ray microscopy methods, combined with three-dimensional simulations of electrode performance and structural evolution. The present research provides a critical fundamental understanding of degradation processes, complementing more practical studies, e.g., long-term fuel cell stack tests, being carried out in industry. It is incredibly valuable to develop simulation models based on experimentally observed microstructural changes, and then apply them to accurately predict long-term (5 years) electrode evolution and associated performance changes. Furthermore, this combination of 3D microstructures, validated simulation tools, and computationally intensive data analysis provides a transformational framework for design and discovery of electrode materials that includes not only performance, but also durability. Graduate and undergraduate students receive unique training ? while each student focuses mainly on experimental or computational aspects, exchange visits between campuses provide direct experience in both areas. Students also work directly with researchers at Argonne and Brookhaven national laboratories using state-of-the-art three-dimensional imaging facilities. Educational and outreach activities focused on K-12 students and the general public are also being actively carried out.

非技术描述：目前处于早期商业化的固体氧化物燃料电池，为清洁燃料向电力以及电力和电力的电力以及电力存储提供了一种重要手段。更多的研究和开发，特别是为了理解长期耐用性，需要非常需要实现广泛的应用。这项研究集成了及时，独特的方法，以深入了解燃料电池电极材料的性能和降解，最终允许设计更高的性能，寿命更长的燃料电池。该项目的一个关键特征是使用三维图像数据来开发并最终验证两种类型的计算模型：（1）开发了使用测量的三维结构的性能模拟，并通过与实验测量的电极性能进行比较，以及（2）在燃油电池操作之前和燃料电池后将测量的电极结构的测量变化与模拟结构进行了比较。用于3D成像，模拟和数据分析的工具与大量数据集有关，与许多其他材料系统有关。 The results are relevant to many communities, ranging from modelers who can utilize three-dimensional data and simulation methods, to industrial developers who can use the results to help improve their fuel cells.TECHNICAL DETAILS: This project aims to study solid oxide fuel cell performance and long-term stability, utilizing three-dimensional imaging of fuel cell structure using state-of-the-art electron and x-ray microscopy methods, combined with three-dimensional simulations of电极性能和结构演变。本研究提供了对退化过程的重要理解，并补充了更多实用研究，例如长期的燃料电池堆栈测试，在行业中进行。基于实验观察到的微观结构变化，然后将它们应用于准确预测长期（5年）电极演化和相关性能变化，然后将它们应用它们准确预测模拟模型，这是非常有价值的。此外，这种3D微观结构，经过验证的仿真工具和计算密集型数据分析的组合为设计和发现电极材料的设计提供了转换框架，不仅包括性能，还包括耐用性。研究生和本科生接受独特的培训？虽然每个学生主要关注实验或计算方面，但校园之间的交换访问在这两个领域都提供了直接的经验。学生还使用最先进的三维成像设施直接与Argonne和Brookhaven国家实验室的研究人员合作。重点是K-12学生和公众的教育和外展活动也在积极进行。