CAREER: Structure and Electronic Anomalies of Vitreous Matter

职业：玻璃体的结构和电子异常

• 批准号: 0956127
• 负责人: Vassiliy Lubchenko
• 金额: $ 55.43万
• 依托单位: University of Houston
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-10-01 至 2016-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0956127&HistoricalAwards=false
• 关键词: CAREER; Structure; Electronic; Anomalies; Vitreous

The electronic structure of a material, including electronic energies and wavefunctions, determines its electronic and optical properties. In turn, these properties underlie a myriad of important implications for energy conversion, transportation and storage, renewable energy production, information processing and storage, catalysis, optical devices, and many others. Even if the atomic locations in a material are known, inspection of the electronic structure is difficult because of the need to simultaneously solve for the dynamics of many electrons that are strongly interacting. Amorphous materials, such as window glasses, pose a still greater challenge to the chemist due to the difficulty to determine their structure via techniques that have worked well for periodic crystals, such as X-ray diffraction. Amorphous materials, in particular those made by rapid cooling of a liquid melt, are important in applications due to their low manufacturing costs and numerous unique properties not found in periodic crystals. For example, alloys containing elements from groups 5 and 6, such as antimony and tellurium, are presently used to make optical drives and are the leading candidate for next generation computer memory. Another important example is viscous ionic liquids, which are used to make batteries. The project aims to trace the origin of the unique optoelectronic anomalies of vitreous (i.e., glassy) solids to the atomic motions above the glass transition which, surprisingly, occurs subject to very strict statistical rules. The project focuses on the dynamics of a viscous liquid above the glass transition which is to be mapped onto seemingly different model systems that are defined on a fixed lattice. By connecting the parameters of these models with the properties of specific substances, a microscopic description of glassy solids is expected whereby structure and electronic properties emerge self-consistently. Solutions to the important problem of the electronic structure of amorphous materials lies at the interface of chemistry, physics, and materials science. These factors combine to create a unique multidisciplinary research environment for participating students and researchers, and for communicating to high school students the fascinating properties of viscous liquids and amorphous materials. Considering the ethnic diversity at the University of Houston and in the greater Houston area, the research enhances the educational opportunities of underrepresented groups and promotes their participation in advanced research. Local writers and radio personalities are collaborating to publicize the societal benefits of the research resulting from this project. In addition to the fundamental significance of the research on vitreous materials, other potential benefits include new ways to manufacture efficient computer memory, solar cells, batteries, optical fibers, and many others.

材料的电子结构，包括电子能量和波函数，决定了它的电子和光学性质。 反过来，这些特性又为能源转换、运输和储存、可再生能源生产、信息处理和储存、催化、光学器件等许多方面带来了无数重要影响。 即使材料中的原子位置是已知的，电子结构的检查也是困难的，因为需要同时求解许多强烈相互作用的电子的动力学。 无定形材料，如窗玻璃，对化学家提出了更大的挑战，因为很难通过X射线衍射等对周期性晶体有效的技术来确定它们的结构。无定形材料，特别是通过快速冷却液体熔体制成的那些，由于其低制造成本和在周期性晶体中未发现的许多独特性质，在应用中是重要的。 例如，含有第5族和第6族元素的合金，如锑和碲，目前用于制造光学驱动器，并且是下一代计算机存储器的主要候选者。 另一个重要的例子是粘性离子液体，用于制造电池。 该项目旨在追踪玻璃体独特光电异常的起源（即，玻璃态）固体到玻璃化转变以上的原子运动，令人惊讶的是，玻璃化转变发生时受到非常严格的统计规则的影响。 该项目的重点是在玻璃化转变之上的粘性液体的动力学，该动力学将被映射到在固定晶格上定义的看似不同的模型系统上。 通过将这些模型的参数与特定物质的性质联系起来，可以对玻璃状固体进行微观描述，从而使结构和电子性质自洽地出现。非晶态材料的电子结构问题是化学、物理学和材料科学交叉的重要问题。 这些因素联合收割机为参与的学生和研究人员创造了一个独特的多学科研究环境，并向高中生传达了粘性液体和无定形材料的迷人特性。考虑到休斯顿大学和大休斯顿地区的种族多样性，这项研究提高了代表性不足的群体的教育机会，并促进他们参与先进的研究。当地作家和广播界人士正在合作宣传该项目研究的社会效益。除了对玻璃质材料的研究的根本意义外，其他潜在的好处包括制造高效计算机存储器，太阳能电池，电池，光纤等的新方法。