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A New Characteristic Length Scale on Surfaces

表面上的新特征长度尺度

基本信息

批准号：
0856426
负责人：
Hanchen Huang
金额：
$ 28万
依托单位：
University of Connecticut
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2009
资助国家：
美国
起止时间：
2009-08-15 至 2013-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=0856426&HistoricalAwards=false
关键词：
New Characteristic Length Scale Surfaces

项目摘要

The objective of this award is to investigate the concept of new characteristic length scale by establishing its existence, its dependence on processing conditions, and its effects on surface morphologies. Crystalline nanorods are on the order of 100 nm in diameter, and many surface features have similar dimension. It is interesting to note that the origin of this dimension remains unknown while nanorods fabrication has become a routine practice. This project focuses on the very origin of this dimension. The hypothesis is that this dimension is characteristic of surface atomic islands that are bounded by multiple layers. Aiming to confirm this hypothesis, the proposed research uses density-functional-theory based ab initio calculations, classical molecular mechanics simulations, and lattice kinetic Monte Carlo simulations; and takes simple metals Cu and Au as the prototype materials. If successful, the established concept of new characteristic length scale on surfaces will represent a new addition to surface science. In addition to the benefit to scientific communities, the success of this award will also provide a new means of controlling surface roughness, or surface morphology in general. For example, understanding the complete set of surface characteristic length scales will enable science-based design of reading head of hard disk drives, that of crystalline nanorods, and that of catalysts for sustainable energy applications. The award will also provide an opportunity for the education of undergraduate and graduate students, including an underrepresented minority graduate student in this case.

该奖项的目的是通过确定新特征长度尺度的存在、其对加工条件的依赖性及其对表面形态的影响来研究新特征长度尺度的概念。晶体纳米棒的直径约为 100 nm，许多表面特征具有相似的尺寸。有趣的是，尽管纳米棒制造已成为常规做法，但该尺寸的起源仍然未知。这个项目重点关注这个维度的起源。假设该维度是由多层包围的表面原子岛的特征。为了证实这一假设，该研究采用了基于密度泛函理论的从头计算、经典分子力学模拟和晶格动力学蒙特卡罗模拟；以简单金属Cu和Au为原型材料。如果成功，表面新特征长度尺度的既定概念将代表表面科学的新补充。除了科学界受益之外，该奖项的成功还将提供一种控制表面粗糙度或一般表面形态的新方法。例如，了解整套表面特征长度尺度将使硬盘驱动器读取头、晶体纳米棒读取头以及可持续能源应用催化剂的设计成为可能。该奖项还将为本科生和研究生提供教育机会，其中包括本例中代表性不足的少数族裔研究生。