CAREER: Configurational Defect Arrangements in Multi- Component Oxides

职业：多组分氧化物中的构型缺陷排列

• 批准号: 9501856
• 负责人: Gerbrand Ceder
• 金额: $ 12万
• 依托单位: Massachusetts Institute of Technology
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1995
• 资助国家: 美国
• 起止时间: 1995-07-01 至 1999-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9501856&HistoricalAwards=false
• 关键词: CAREER; Configurational; Defect; Arrangements; Multi

9501856 Ceder This CAREER proposal contains both educational and research components. The educational part involves the development of a Computing Initiative in the Materials Science and Engineering department at MIT. The investigator is contributing towards the integration of the teaching of modelling and computation in materials into both the undergraduate and graduate curricula. He is working with software and hardware vendors to support this initiative and is setting up a support structure for the instructors of the core materials classes. He is developing a new graduate course on computational materials science. The research component develops methods used to predict phase diagrams and defect arrangements in multi-component oxides. This approach makes it possible to predict defect arrangements in oxides. Two applications on which attention is being focused are stabilized zirconias and order-disorder in the pyrochlore-forming oxides. %%% As part of NSF's new CAREER program geared toward academically young investigators, this project involves both educational and research components. The educational part supports the development of a Computing Initiative in the Materials Science and Engineering department at MIT. The investigator is contributing towards the integration of the teaching of modelling and computation in materials into both the undergraduate and graduate curricula. He is working with software and hardware vendors to support this initiative and is setting up a support structure for the instructors of the core materials classes. He is developing a new graduate course on computational materials science. The research component develops methods used to predict phase diagrams and defect arrangements in multi-component oxides, which are both of scientific and technological interest. This approach makes it possible to predict defect arrangements in oxides. Such work leads to a better understanding of the relation between composition, the rmal treatment, and properties of a system, and therefore ultimately to better materials. ***

小行星9501856 这个职业建议包含教育和研究两个组成部分。 教育部分涉及麻省理工学院材料科学与工程系的计算计划的发展。 调查员是对材料建模和计算的教学整合到本科和研究生课程。 他正在与软件和硬件供应商合作，以支持这一倡议，并正在为核心材料课程的教师建立一个支持结构。 他正在开发一门新的计算材料科学研究生课程。 研究部分开发用于预测多组分氧化物中的相图和缺陷排列的方法。 这种方法使得有可能预测氧化物中的缺陷排列。 两个应用的注意力都集中在稳定的氧化锆和有序无序的高温氧化物形成。 %作为NSF面向年轻学术研究人员的新职业计划的一部分，该项目涉及教育和研究两个部分。 教育部分支持麻省理工学院材料科学与工程系的计算计划的发展。 调查员是对材料建模和计算的教学整合到本科和研究生课程。 他正在与软件和硬件供应商合作，以支持这一倡议，并正在为核心材料课程的教师建立一个支持结构。 他正在开发一门新的计算材料科学研究生课程。 该研究部门开发用于预测多组分氧化物中的相图和缺陷排列的方法，这些方法具有科学和技术意义。 这种方法使得有可能预测氧化物中的缺陷排列。 这样的工作导致更好地理解组成之间的关系，热处理，和系统的性能，因此最终更好的材料。 ***