RUI: Combined First Principles Theory and Simulation Study of Displacive Surface Reconstructions: W(001) and Mo(001) (Materials Research)

RUI：位移表面重建的第一性原理理论与模拟研究相结合：W(001) 和 Mo(001)（材料研究）

• 批准号: 8705568
• 负责人: Lyle Roelofs
• 金额: $ 6.42万
• 依托单位: Haverford College
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1987
• 资助国家: 美国
• 起止时间: 1987-08-15 至 1991-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8705568&HistoricalAwards=false
• 关键词: RUI; Combined; First; Principles; Theory

This proposal for studying the reconstruction of surfaces by combining electronic structure and computer simulation techniques is from an undergraduate institution. The principal investigator, Professor L. Roelofs is a leader in the field of statistical mechanics of surfaces and is eminently qualified to do the work. The problems proposed can add to our fundamental understanding of surface phenomena and may impact on technology. A 30-month award is recommended with highest priority.

本文提出了一种研究曲面重构的方法， 结合电子结构和计算机模拟技术 来自一所本科院校。 校长 研究员L. Roelofs是该领域的领导者， 统计力学的表面，是非常合格的， 做好工作。 提出的问题可以增加我们的基本 了解表面现象，并可能对技术产生影响。 30个月的奖励建议最高优先级。