Adsorption of Quantum Fluids inside Carbon Nanotubes

碳纳米管内量子流体的吸附

• 批准号: 0121088
• 负责人: Massimo Boninsegni
• 金额: $ 15万
• 依托单位: San Diego State University Foundation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-11-01 至 2002-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0121088&HistoricalAwards=false
• 关键词: Adsorption; Quantum; Fluids; inside; Carbon

This award supports theoretical and computational research and education on quantum fluids. Accurate numerical simulations, based on quantum Monte Carlo methods, will be performed to study the adsorption of Helium on a variety of substrates with the aim of investigating novel physical phenomena involving superfluidity and Bose condensation in confined systems. The PI will study physisorption of quantum fluids inside carbon nanotubes, in zeolites, and on alkali metal substrates to include helium mixtures and molecular hydrogen. His earlier exploration of helium confined in bundles of nanotubes suggested the possibility of a low temperature transition to a novel anisotropic superfluid phase and a possible commensurate to incommensurate transition. In this award, a theoretical investigation of the phase diagram of helium and molecular hydrogen inside carbon nanotubes will be carried out. It is thought that the confinement of molecular hydrogen will prevent crystallization at low temperatures enabling the observation of a superfluid state. Simulations will be performed using realistic interactions of helium atoms and hydrogen molecules with the confining system. %%%This award supports theoretical and computational research and education on quantum fluids. The PI will use quantum Monte Carlo methods to study helium trapped inside of bundles of carbon nanotubes. The confinement of the helium atoms inside the carbon nanotube structures alters the properties of the helium quantum liquid leading to possible novel physical properties. The system is at sufficiently low temperature that quantum mechanical effects become important. The PI will also study molecular hydrogen in carbon nanotubes and the interaction of both liquids with zeolites and alkali metal surfaces that confine or reduce the dimensionality of the liquid. This research contributes to the fundamental knowledge of nanostructures and the study of materials on the nanoscale. ***

该奖项支持量子流体的理论和计算研究和教育。基于量子蒙特卡罗方法的精确数值模拟将被用来研究氦在不同衬底上的吸附，目的是研究受限系统中涉及超流和玻色凝聚的新的物理现象。PI将研究量子流体在碳纳米管、沸石和碱金属衬底上的物理吸附，包括氦混合物和分子氢。他早期对限制在纳米管束中的氦的探索表明，低温转变为一种新的各向异性超流相的可能性，以及可能与非公度转变相称的可能性。在这个奖项中，将对碳纳米管中氦和分子氢的相图进行理论研究。人们认为，分子氢的限制将阻止低温下的结晶，从而能够观察到超流状态。模拟将使用氦原子和氢分子与封闭系统的真实相互作用进行。%该奖项支持量子流体的理论和计算研究及教育。PI将使用量子蒙特卡罗方法来研究碳纳米管束中捕获的氦。氦原子在碳纳米管结构中的限制改变了氦量子液体的性质，从而可能产生新的物理性质。该系统处于足够低的温度，以至于量子力学效应变得重要。PI还将研究碳纳米管中的分子氢，以及这两种液体与限制或降低液体维度的沸石和碱金属表面的相互作用。这项研究为纳米结构的基础知识和纳米尺度上的材料研究做出了贡献。***