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Liquid Metal-X Interfaces

液态金属-X 接口

基本信息

批准号：
9980363
负责人：
Stuart Rice
金额：
$ 86.5万
依托单位：
University of Chicago
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
1999
资助国家：
美国
起止时间：
1999-12-01 至 2004-11-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=9980363&HistoricalAwards=false
关键词：
Liquid Metal Interfaces

项目摘要

Stuart Rice of the University of Chicago is funded by the Theoretical and Computational Chemistry Program for a combined experimental and theoretical approach to study the interfaces between pure metals and alloys and other species of condensed matter. The studies are directed primarily at interfaces between liquid and vapor, liquid and solid, and between liquid and an adsorbate on the liquid surface. The experimental studies will use grazing incidence x-ray diffraction, grazing incidence differential anomalous x-ray diffraction, x-ray reflectivity, x-ray reflectivity fine structure and surface sensitive EXAFS measurements. The theoretical studies will employ self-consistent quantum Monte Carlo simulations. The longitudinal and transverse structure in the liquid-vapor interface of alloys will be studied with particular attention to the heterovalent alloys. The longitudinal and transverse structure in the liquid-solid interfaces of pure metals and alloys will be examined for the influence of the field of the solid on the structure of the liquid at the interface. The variation of the interface will be studied as a function of the alloy composition and temperature.Very little is known about the structure of the interface between two immiscible phases. Many chemical phenomena depend on the nature of this interface. Professor Rice is using a combination of theoretical and experimental methods which have only recently become available to explore the detailed structure of these phase boundaries and the factors which influence this structure.

芝加哥大学的斯图尔特·赖斯（Stuart Rice）由理论和计算化学项目资助，用于研究纯金属和合金以及其他凝聚态物质之间的界面的实验和理论方法。这些研究主要针对液体与蒸气、液体与固体以及液体与液体表面上的吸附物之间的界面。实验研究将采用掠入射X射线衍射、掠入射差分异常X射线衍射、X射线反射率、X射线反射率精细结构和表面灵敏EXAFS测量。理论研究将采用自洽量子蒙特卡罗模拟。将研究合金液-气界面的纵向和横向结构，特别注意异价合金。纯金属和合金的液-固界面的纵向和横向结构将被检查的固体场对界面处的液体结构的影响。界面的变化将作为合金成分和温度的函数进行研究。对于两个不混溶相之间的界面结构知之甚少。许多化学现象取决于这个界面的性质。赖斯教授正在使用理论和实验方法的结合，这些方法最近才变得可用，以探索这些相界的详细结构和影响这种结构的因素。