Adsorption of Quantum Fluids inside Carbon Nanotubes

该奖项支持量子流体的理论和计算研究和教育。精确的数值模拟，量子蒙特卡罗方法的基础上，将进行研究氦在各种基板上的吸附，目的是调查新的物理现象，包括超流性和玻色凝聚在受限系统。PI将研究量子流体在碳纳米管内部、沸石中和碱金属基底上的物理吸附，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提出了低温过渡到新的各向异性超流体相的可能性，以及可能的相称到无公度过渡。在这个奖项中，氦和分子氢在碳纳米管内部的相图的理论研究将进行。人们认为，分子氢的限制将防止在低温下结晶，从而能够观察到超流体状态。模拟将使用现实的氦原子和氢分子与约束系统的相互作用。该奖项支持量子流体的理论和计算研究和教育。PI将使用量子蒙特卡罗方法来研究碳纳米管束内捕获的氦。氦原子在碳纳米管结构内的限制改变了氦量子液体的性质，导致可能的新物理性质。该系统处于足够低的温度下，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两种液体与沸石和碱金属表面的相互作用，这些表面限制或减少了液体的维度。这项研究有助于纳米结构的基础知识和纳米材料的研究。***

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. ***