Strong Correlations in Environmental Condensed Matter

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，其中强相关性发挥了重要作用。PI旨在解决与追求可持续发展的未来有关的根本性问题，研究集中在环境背景下出现的三个问题：模拟环境中的锕系化合物和络合物，探索收集太阳能的新方法，以及开发描述各向异性和非均匀流体流动（称为“宏观湍流”）的统计方法。“每个焦点系统的特征都是强相关性，后两个涉及远离平衡的系统。锕系化合物和络合物将以考虑f-电子之间强相关性的方式建模，目标是培养创造第一的能力-铀和钚等锕系元素在核燃料循环中以及作为环境中的废物的性质的预测原则。高频整流掺杂莫特绝缘体的结将研究分析和通过数值模拟。由这些材料制成的二极管可能能够在光学频率下工作，从而实现纳米级的整流天线设计，可以直接将太阳光的电磁场转换为直流电。该转换机制代表了一种与传统太阳能电池技术根本不同的机制。各向异性和非均匀流体流中的宏观湍流射流将通过数值模拟过程中基于统计累积的标准方法进行统计描述。相反，流动统计将直接由非平衡统计力学通过量子多体理论启发的近似来捕获，并且可以系统地改进。该研究为培养学生和博士后提供了跨学科的环境背景。该项目将为各级学生提供跨学科的学习体验，通过培训学生和博士后在量子多体和非平衡统计物理学的前沿方法方面加强理论和计算凝聚态物理学的人力资源。PI将继续通过组织研讨会和会议，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做出贡献。非技术性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。PI旨在解决与追求可持续未来有关的根本性重要问题。本研究将着重探讨三个问题：（1）。开发一种计算方法，提高涉及铀和其他在周期表中被归类为锕系元素的原子的化合物的准确性，2.）研究关键部件二极管，其可以在足够高的频率下操作，以实现从太阳光中收集能量的方式，该方式基于与太阳能电池不同的基本原理操作，并且可能更有效，3.） 调整用于描述许多相互作用的电子系统的统计方法，以了解天气和气候的基本原理。该研究为培养学生和博士后提供了跨学科的环境背景。该项目将为各级学生提供跨学科的学习体验，通过培训学生和博士后在量子多体和非平衡统计物理学的前沿方法方面加强理论和计算凝聚态物理学的人力资源。PI将继续通过组织研讨会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做出贡献。

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.