Entropy stabilized complex oxides

熵稳定的复合氧化物

• 批准号: 1839087
• 负责人: Jon-Paul Maria
• 金额: $ 43.5万
• 依托单位: Pennsylvania State Univ University Park
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-01-01 至 2022-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1839087&HistoricalAwards=false
• 关键词: Entropy; stabilized; complex; oxides

NON-TECHNICAL DESCRIPTION: This project addresses the ongoing challenge to discover new materials that respond to societal needs through the new and interesting properties they provide, and the new scientific information that they reveal. The world depends upon a rapidly evolving set of modern technologies that are routinely enabled by advanced materials. Maintaining this progress requires an ever-expanding set of candidates that accompany and facilitate new designs. Currently, the research community at large is engaged in this process, and is doing so in many cases using the power of computational tools. The present activity is investigating an alternative strategy where configurational entropy - engineered by composition - is used to imagine and create a new class of solid crystals. While the approach is generic to all material types, this research focuses on oxide ceramics, with particular attention to those interesting to electronic applications. During the course of research, it is likely that new materials of importance to energy storage and microelectronic devices will result from this work.TECHNICAL DETAILS: This project is exploring how configurational disorder can be engineered through composition so the entropic contributions to free energy predominate the minimization and thus stabilization process. Specific objectives include quantifying the strength of entropic stabilization, extending the stabilization concept to ternary systems, using thin film deposition techniques to quench in extreme high entropy structures, and exploring how configurational entropy can influence phase transformations. This research is an important complement to modern computation-led efforts such as the Materials Genome Initiative, which address the grand challenge of finding new materials that become the foundation of new technologies. Current indications suggest that entropic stabilization is prominent in oxides and that many new phases and thus new opportunities for new properties are present. If so, the impacts will be transformational as a new avenue for material development will be presented to the research community. A full-time graduate student and part-time (between semesters) undergraduate student is supported and mentored. The students and PI are participating in regional activities that encourage pre-college student engagement in science and engineering, and thus contribute to a robust and diverse future scientific cohort.

非技术描述：这个项目解决了通过提供新的和有趣的特性以及它们所揭示的新的科学信息来发现响应社会需求的新材料的持续挑战。世界依赖于一套快速发展的现代技术，这些技术通常由先进材料实现。保持这一进展需要不断扩大的候选人集，以伴随和促进新的设计。目前，整个研究界正在参与这一进程，并在许多情况下利用计算工具的力量这样做。目前的活动正在研究一种替代策略，在这种策略中，构型熵--由组成来设计--被用来想象和创造一种新的固体晶体。虽然这种方法对所有材料类型都是通用的，但本研究重点放在氧化物陶瓷上，特别关注那些对电子应用感兴趣的材料。在研究过程中，这项工作很可能会产生对能量存储和微电子设备具有重要意义的新材料。技术细节：该项目正在探索如何通过组成来设计构型无序，从而使对自由能的熵贡献主导最小化从而稳定过程。具体目标包括量化熵稳定化的强度，将稳定化的概念扩展到三元体系，使用薄膜沉积技术在极高的熵结构中淬火，以及探索构型熵如何影响相变。这项研究是对现代计算主导的努力的重要补充，如材料基因组倡议，这些努力解决了寻找成为新技术基础的新材料的重大挑战。目前的迹象表明，熵稳定在氧化物中是突出的，许多新的相，因此新的性质出现了新的机会。如果是这样的话，影响将是变革性的，因为将向研究界展示一种新的材料开发途径。全日制研究生和非全日制(学期间歇)本科生将得到支持和指导。学生和PI正在参与地区性活动，鼓励大学预科学生参与科学和工程，从而为未来强大和多样化的科学队列做出贡献。