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：该项目解决了发现新材料的持续挑战，通过它们提供的新的和有趣的特性以及它们揭示的新的科学信息来满足社会需求。世界依赖于一系列快速发展的现代技术，这些技术通常由先进材料实现。保持这一进步需要不断扩大候选者群体，以伴随和促进新设计。目前，整个研究界都在参与这一过程，并且在许多情况下利用计算工具的力量来实现这一过程。目前的活动正在研究一种替代策略，其中构型熵（通过成分设计）用于想象和创造一类新的固体晶体。虽然该方法适用于所有材料类型，但本研究重点关注氧化物陶瓷，特别关注那些对电子应用感兴趣的陶瓷。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重要的新材料。技术细节：该项目正在探索如何通过组合来设计构型无序，以便对自由能的熵贡献占主导地位。最小化，从而稳定过程。具体目标包括量化熵稳定的强度，将稳定概念扩展到三元系统，使用薄膜沉积技术在极高熵结构中淬火，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工作（例如材料基因组计划）的重要补充，该计划解决了寻找成为新技术基础的新材料的巨大挑战。目前的迹象表明，熵稳定在氧化物中很突出，并且存在许多新相，因此存在新性能的新机会。如果是这样，随着材料开发的新途径将呈现给研究界，其影响将是革命性的。全日制研究生和兼职（学期之间）本科生将得到支持和指导。学生和 PI 正在参加鼓励大学预科学生参与科学和工程的区域活动，从而为未来的科学群体做出贡献。