Collaborative Research: DMREF: Accelerated Data-Driven Discovery of Ion-Conducting Materials

合作研究：DMREF：加速数据驱动的离子导电材料发现

• 批准号: 2118838
• 负责人: Yifei Mo
• 金额: $ 90万
• 依托单位: University of Maryland, College Park
• 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: 2021-10-01 至 2025-09-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2118838&HistoricalAwards=false
• 关键词: Collaborative; Research; DMREF; Accelerated; Data

NON-TECHNICAL SUMMARYOxides with fast ion-conduction are crucial components for a wide range of applications including batteries and solid-oxide fuel cells, which are needed for societal adoption of renewable energy technologies. However, progress in the research and development of ion-conducting ceramics has been sluggish, as time-consuming synthesis and sintering act as a bottleneck to new materials discovery. The project team will leverage their ultra-high-temperature synthesis technique that can rapidly sinter oxide materials in about 10 seconds, integrated with computational modeling and high-throughput measurements, to accelerate the discovery and design of novel oxide materials. The integrated closed-loop framework will advance a general paradigm for materials design and discovery in a fraction of the time of conventional discovery. Through this project, novel sodium-ion conducting materials will be discovered, which can be used for sodium batteries as economic, environmental-friendly, and sustainable alternatives to lithium-ion batteries for renewable energy storage. In addition, this project will leverage the interdisciplinary research program to create unique educational opportunities for a diverse group of graduate, undergraduate, K-12 students, and under-represented minorities. TECHNICAL SUMMARYThis project will integrate high-temperature rapid synthesis of ceramics with first-principles data-driven computation, high-throughput measurements, materials characterization, and microstructural modeling into a closed-loop framework to significantly accelerate the discovery and design of new ceramic oxide materials using sodium-ion conductors as model systems. The integrated closed-loop approach will advance an effective and general paradigm that comprehensively considers the complex interdependence among composition, sintering, microstructure, and properties for materials design and discovery in a fraction of the time of conventional discovery. The project will lead to improved understanding of the composition-sintering-microstructure-property relationships for a wide range of oxide materials, which will be of scientific value for guiding future research of new oxides. Education and outreach activities will be developed and undertaken in conjunction with the proposed research activities. In the spirit of Materials Genome Initiative (MGI), the education and outreach efforts will emphasize the unique components of data-driven closed-loop materials design as essential training for the next-generation MGI workforce.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.

具有快速离子传导的非技术总结是针对广泛应用的重要组成部分，包括电池和固体氧化燃料电池，这是社会采用可再生能源技术所需的。然而，随着耗时的合成和烧结作为新材料发现的瓶颈，离子传导陶瓷的研究和开发的进展一直缓慢。该项目团队将利用其超高温度的合成技术，该技术可以在大约10秒内快速烧结氧化物材料，并与计算建模和高通量测量集成在一起，以加速新型氧化物材料的发现和设计。集成的闭环框架将在常规发现时间的一小部分中推进材料设计和发现的一般范式。通过该项目，将发现新颖的钠离子传导材料，可用于钠电池，作为经济，环境友好和可持续的锂离子电池可再生能源存储的替代品。此外，该项目将利用跨学科研究计划为多样化的研究生，本科，K-12学生和代表性不足的少数群体创造独特的教育机会。技术摘要项目将将陶瓷的高温快速合成与第一原理数据驱动的计算，高通量测量，材料表征和微结构建模纳入闭环框架中，以显着加速使用Sododium-iro-iro-iros counditors As Model Systems的新陶瓷材料的发现和设计。综合闭环方法将推进有效且一般的范式，该方法在常规发现的一小部分中全面考虑了材料设计和发现的组成，烧结，微结构和特性之间的复杂相互依赖性。该项目将提高人们对各种氧化物材料的构图 - 插图 - 微结构关系关系的了解，这将是指导新氧化物未来研究的科学价值。教育和外展活动将与拟议的研究活动一起开发和进行。本着材料基因组计划（MGI）的精神，教育和外展工作将强调数据驱动的闭环材料设计的独特组成部分，这是对下一代MGI Workforce的必要培训。该奖项反映了NSF的法定任务，并认为通过基金会的知识优点和广泛的范围来评估通过评估来进行评估。