Strong Correlations in Environmental Condensed Matter

技术总结该奖项支持理论和计算研究，以及与环境相关的材料和系统的教育，在这些领域，强相关性发挥着重要作用。PI旨在解决与寻求可持续未来相关的根本重要问题。研究集中在环境背景下出现的三个问题：环境中鳗系化合物和络合物的建模，探索获取太阳能的新方法，以及开发统计方法来描述被称为“宏观湍流”的各向异性和不均匀的流体流动。每个焦点系统的特点是强相关性，后两个涉及的是远离平衡的系统。将以解释f电子之间强相关性的方式来模拟辐系化合物和络合物，目的是发展对核燃料循环中的铀和钚等辐系元素的性质以及作为环境中的废物的性质进行第一性原理预测的能力。本文将对掺杂Mott绝缘子的结部高频整流进行解析和数值模拟研究。由这些材料制成的二极管可能能够工作到光学频率，从而使纳米级整流天线设计能够直接将阳光的电磁场转换为直流电。这种转换机理与传统太阳能电池技术的机理有根本的不同。各向异性和非均质流体流动中的宏观湍流射流将被用统计方法描述，而不是基于数值模拟过程中积累的统计数据的标准方法。相反，非平衡统计力学将通过受量子多体理论启发的近似直接捕获流动统计，并可进行系统改进。该研究为培养学生和博士后提供了一个跨学科的环境背景。该项目将为不同水平的学生提供跨学科的学习体验，通过培训学生和博士后学习量子多体和非平衡统计物理的尖端方法，提高理论和计算凝聚态物理的人力资源，解决可能对自生性产生影响的问题。国际和平协会将继续通过组织研讨会和会议以及撰写教学文章来吸引社区对解决问题的兴趣，这些问题将导致对可持续未来的贡献。非技术总结该奖项支持理论和计算研究，以及与环境相关的材料和系统的教育。和平倡议旨在解决与追求可持续未来有关的根本性重要问题。本研究将围绕三个问题展开：1)开发一种计算方法，以提高涉及铀和元素周期表中被归类为辐系元素的其他原子的化合物的准确性，2.)研究一种关键部件，即二极管，它可以以足够高的频率工作，从而实现一种从阳光中获取能量的方法，这种方法的基本原理与太阳能电池不同，而且可能更高效。采用统计方法来描述许多相互作用的电子系统，以了解天气和气候背后的基本原理。这项研究为培养学生和博士后提供了跨学科的环境背景。该项目将为不同水平的学生提供跨学科的学习体验，通过培训学生和博士后学习量子多体和非平衡统计物理的尖端方法，增强理论和计算凝聚态物理的人力资源，解决可能对可持续性产生影响的问题。国际和平协会将继续通过组织讲习班和会议以及撰写教学文章，吸引社区对解决问题的兴趣，从而为可持续的未来作出贡献。

TECHNICAL SUMMARYThis award supports theoretical and computational research, and education on materials and systems relevant to the environment and where strong correlations play an important role. The PI aims to address problems of fundamental importance that bear on the quest for a sustainable future.The research is centered on three problems that arise in the context of the environment: modeling actinide compounds and complexes in the environment, exploring a new approach to harvest solar energy, and developing statistical methods to describe anisotropic and inhomogeneous fluid flows known as "macroturbulence." Each focus system is characterized by strong correlations, with the latter two involving systems that are driven far from equilibrium.Actinides compounds and complexes will be modeled in ways that account for strong correlations between the f-electrons, with the goal of developing the ability to make first-principles predictions of properties of actinides such as uranium and plutonium in the nuclear fuel cycle and as waste products in the environment. High-frequency rectification at junctions of doped Mott insulators will be studied analytically and through numerical simulation. Diodes made of these materials may be able to operate up to optical frequencies, enabling nanoscale rectenna designs that could directly convert the electromagnetic field of sunlight to direct current. The conversion mechanism represents a mechanism that is fundamentally differs from the mechanism underlying traditional solar cell technology.Macroturbulent Jets in anisotropic and inhomogenous fluid flows will be described statistically by methods that forgo standard approaches based upon accumulation of statistics during numerical simulation. Instead the flow statistics will be captured directly by non-equilibrium statistical mechanics through approximations that are inspired by quantum many-body theory, and that can be systematically improved.The research provides an interdisciplinary environmental context for training students and postdocs. The project will provide a cross-disciplinary learning experience for students at various levels, enhancing human resources for theoretical and computational condensed matter physics by training students and postdocs in cutting-edge methods of quantum many-body and non-equilibrium statistical physics in problems with potential impact on sustatinability. The PI will continue to draw the community's interest to solving problems that would lead to contributions to a sustainable future through the organization of workshops and conferences, and writing pedagogical articles.NONTECHNICAL SUMMARYThis award supports theoretical and computational research, and education on materials and systems relevant to the environment. The PI aims to address problems of fundamental import that bear on the quest for a sustainable future. The research will focus on three problems: 1.) developing a computational method of improved accuracy for chemical compounds involving uranium and other atoms classified as actinides in the periodic table, 2.) investigating a key component, a diode, that can operate at sufficiently high frequency to enable a way to harvest energy from sunlight that operates on different fundamental principles than a solar cell and is potentially more efficient, 3.) adapting statistical methods used to describe systems of many interacting electrons to understand the fundamental principles that underlie weather and climate. The research provides an interdisciplinary environmental context for training students and postdocs. The project will provide a cross-disciplinary learning experience for students at various levels, enhancing human resources for theoretical and computational condensed matter physics by training students and postdocs in cutting-edge methods of quantum many-body and non-equilibrium statistical physics in problems with potential impact on sustainability. The PI will continue to draw the community's interest to solving problems that would lead to contributions to a sustainable future through the organization of workshops and conferences, and writing pedagogical articles.