Research Initiation Awards: Molecular Thermodynamics and Transport Properties of Model Liquid-Crystalline Mixtures

研究启动奖：模型液晶混合物的分子热力学和输运特性

• 批准号: 8909365
• 负责人: David Kofke
• 金额: $ 7万
• 依托单位: SUNY at Buffalo
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-09-01 至 1992-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8909365&HistoricalAwards=false
• 关键词: Research; Initiation; Awards; Molecular; Thermodynamics

This project will investigate the phase and dynamic behavior of nematic liquid crystal mixtures using both statistical theory and computer simulation. Specific objectives include development and verification of a novel Monte Carlo method for evaluating the isotropic-nematic transition in binary mesogenic systems, use of simulation to examine and quantify effects of solute characteristics on the existence and location of the transition, use of simulation to distinguish between two different theoretical approaches to modeling nematic mixtures, and use of simulation to examine transport properties in nematics as a function of structure and existence of the isotropic-nematic transition. Liquid crystals have widespread technological relevance, from computer and watch displays to high definition television, biomimetics, and fundamental understanding of cell membrane properties. This project will bring tools from recent advances in statistical thermodynamics and advanced computer simulation technology to bear upon the fundamental understanding of liquid crystals behavior.

本项目将使用统计理论和计算机模拟来研究向列液晶混合物的相和动态行为。具体目标包括开发和验证一种新的蒙特卡罗方法，用于评估二元介生系统中的各向同性-向列转变，使用模拟来检查和量化溶质特征对转变存在和位置的影响，使用模拟来区分两种不同的理论方法来模拟向列混合，并使用模拟来检查向列中的输运性质作为结构的函数和各向同性向列过渡的存在。液晶具有广泛的技术相关性，从计算机和手表显示到高清晰度电视，仿生学和对细胞膜特性的基本理解。该项目将利用统计热力学的最新进展和先进的计算机模拟技术来承担对液晶行为的基本理解。