Strong Correlations in Environmental Condensed Matter

环境凝聚态物质的强相关性

• 批准号: 1306806
• 负责人: John Marston
• 金额: $ 27.5万
• 依托单位: Brown University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-09-01 至 2016-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1306806&HistoricalAwards=false
• 关键词: Strong; Correlations; Environmental; Condensed; Matter

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.

技术摘要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，其中强相关性发挥着重要作用。该 PI 旨在解决对可持续未来的追求具有根本重要性的问题。该研究集中于环境背景下出现的三个问题：对环境中的锕系化合物和络合物进行建模，探索一种新的收获方法太阳能，并开发统计方法来描述称为“宏观湍流”的各向异性和不均匀流体流动。每个聚焦系统的特点是强相关性，后两个系统涉及远离平衡的系统。锕系化合物和配合物将以解释 f 电子之间强相关性的方式进行建模，目标是开发以下能力：对核燃料循环中的铀和钚等锕系元素以及环境中的废物的性质进行第一性原理预测。将通过分析和数值模拟研究掺杂莫特绝缘体结处的高频整流。由这些材料制成的二极管可能能够在高达光学频率的范围内工作，从而实现纳米级整流天线设计，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的机制根本不同的机制。各向异性和非均匀流体流中的宏观湍流射流将通过放弃基于数值模拟期间统计数据积累的标准方法的方法进行统计描述。相反，流量统计将通过受量子多体理论启发的近似值直接由非平衡统计力学捕获，并且可以系统地改进。该研究为培训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，通过对学生和博士后进行量子多体和非平衡统计物理前沿方法的培训，增强理论和计算凝聚态物理的人力资源。对可持续性的潜在影响。 PI 将继续吸引社区对解决问题的兴趣，通过组织研讨会和会议以及撰写教学文章，为可持续的未来做出贡献。非技术摘要该奖项支持理论和计算研究以及相关材料和系统的教育对环境。 PI 旨在解决与追求可持续未来有关的根本性重要问题。该研究将集中于三个问题：1.) 开发一种计算方法，提高涉及铀和元素周期表中属于锕系元素的其他原子的化合物的准确性，2.) 研究一个关键部件，即二极管，它可以在足够大的频率下工作高频以实现一种从太阳光中获取能量的方法，该方法的工作原理与太阳能电池不同，并且可能更有效，3.）采用用于描述许多相互作用的电子系统的统计方法，以了解构成天气和气候的基本原理气候。该研究为培训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，通过对学生和博士后进行量子多体和非平衡统计物理前沿方法的培训，增强理论和计算凝聚态物理的人力资源。对可持续性的潜在影响。 PI 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，从而为可持续的未来做出贡献。