CAREER: Configurational Defect Arrangements in Multi- Component Oxides

9501856 CEDER这份职业建议书包含教育和研究两个部分。教育部分涉及麻省理工学院材料科学与工程系的计算倡议的发展。调查员正在为将材料中的建模和计算教学纳入本科生和研究生课程作出贡献。他正在与软件和硬件供应商合作支持这一倡议，并正在为核心材料课程的讲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。该研究部门开发了用于预测多组分氧化物中相图和缺陷排列的方法。这种方法使预测氧化物中的缺陷排列成为可能。人们关注的两个应用是稳定的氧化锆石和焦绿石形成氧化物中的有序无序。作为NSF面向学术上年轻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倡议的发展。调查员正在为将材料中的建模和计算教学纳入本科生和研究生课程作出贡献。他正在与软件和硬件供应商合作支持这一倡议，并正在为核心材料课程的讲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。该研究部门开发了用于预测多组分氧化物中相图和缺陷排列的方法，这两个方面都具有科学和技术意义。这种方法使预测氧化物中的缺陷排列成为可能。这样的工作有助于更好地理解组成、常规处理和系统性能之间的关系，从而最终制造出更好的材料。***

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. ***