Modeling of Nano-architected Electrodes with Elastic Instabilities: The Role of Buckling on Electrochemical Performance

具有弹性不稳定性的纳米结构电极的建模：屈曲对电化学性能的作用

• 批准号: 1825132
• 负责人: Claudio Di Leo
• 金额: $ 31.4万
• 依托单位: Georgia Tech Research Corporation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-09-01 至 2022-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1825132&HistoricalAwards=false
• 关键词: Modeling; Nano; architected; Electrodes; Elastic

The development of next generation lithium-metal electrodes can revolutionize the energy storage industry as the theoretical energy density of these materials greatly overshadows current battery capabilities. In practice, however, the high-volume expansion of the host material due to lithium insertion/reaction results in large deformations and loads which can cause fracture, pulverization, and eventually device failure. This award will support research towards investigating the use of elastic instabilities, such as buckling, in the design of nano-architected battery electrodes. This research will promote the electrochemo-mechanical sciences by elucidating the way buckling can improve electrochemical and mechanical battery performance, and the degree of improvement. Critically, this research will enable experimentalists to rapidly prototype and test next generation electrodes as well as provide a clear guideline as to the potential benefits of these designs. Finally, the research performed is not restricted to Li-Ion electrodes but can improve our understanding of several chemo-mechanical systems such as systems for catalysis and solid oxide fuel cells amongst others, which will advance the national health, prosperity, and welfare. The research will have a broad impact on U.S. education where it will aid in the training of a diverse group of next generation undergraduate and graduate students with a multi-disciplinary understanding of mechanics of solids and electrochemistry. The training of such future scientists is critical to the U.S. energy industry. Finally, the award will support outreach to underrepresented K-12 students through the development of hands on experiments on the physics, manufacturing, and deployment of Li-Ion batteries for clean energy storage.The development of next-generation Li-Ion electrodes relying on lithium-metals will necessarily require the means of accommodating the large deformations which are incurred by these materials during the lithiation process. Elastic instabilities, in particular buckling, is one possible mechanism whereby deformation of the material can be accommodated with limited generation of stresses. At present, however, there is no numerical tool to enable the rational design of nano-architected electrodes that buckle. Our approach will make use of two types of model: i) a detailed three-dimensional, fully-coupled finite element model which accurately resolves the transient behavior of these complex systems under experimentally accurate electrochemical boundary conditions, and ii) a simplified reduced order model which integrates enough physics to provide a reasonably accurate estimation of the electrochemical performance at a fraction of the computational cost. These models will be experimentally validated and applied towards developing novel designs and design guidelines for nano-architected electrodes which buckle.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

下一代锂金属电极的开发可以彻底改变储能行业，因为这些材料的理论能量密度大大超过了目前的电池能力。然而，在实践中，由于锂插入/反应导致的主体材料的高体积膨胀导致大的变形和负载，这可能导致断裂、粉碎和最终的装置故障。该奖项将支持研究在纳米结构电池电极设计中使用弹性不稳定性，如屈曲。该研究将通过阐明屈曲可以改善电化学和机械电池性能的方式以及改善的程度来促进电化学-机械科学。重要的是，这项研究将使实验人员能够快速原型化和测试下一代电极，并为这些设计的潜在好处提供明确的指导方针。最后，所进行的研究不仅限于锂离子电极，而且可以提高我们对几种化学机械系统的理解，例如催化系统和固体氧化物燃料电池等，这将促进国家的健康，繁荣和福利。这项研究将对美国教育产生广泛的影响，它将有助于培养下一代本科生和研究生的多元化群体，对固体力学和电化学有多学科的理解。培养这样的未来科学家对美国能源工业至关重要。最后，该奖项将通过开发用于清洁能源存储的锂离子电池的物理，制造和部署的动手实验来支持对代表性不足的K-12学生的推广。依赖于锂金属的下一代锂离子电极的开发必然需要适应这些材料在锂化过程中产生的大变形的方法。弹性不稳定性，特别是屈曲，是一种可能的机制，由此材料的变形可以以有限的应力产生来适应。然而，目前还没有数值工具来合理设计弯曲的纳米结构电极。我们的方法将利用两种类型的模型：i）详细的三维、完全耦合的有限元模型，其在实验精确的电化学边界条件下精确地解决这些复杂系统的瞬态行为，以及ii）简化的降阶模型，其集成了足够的物理以在计算成本的一小部分下提供电化学性能的合理准确的估计。这些模型将通过实验验证并应用于开发纳米结构电极的新颖设计和设计指南。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Modeling of Chemo-Mechanical Multi-Particle Interactions in Composite Electrodes for Liquid and Solid-State Li-Ion Batteries

• DOI: 10.1149/1945-7111/abe8ea
• 发表时间: 2021-03-01
• 期刊: JOURNAL OF THE ELECTROCHEMICAL SOCIETY
• 影响因子: 3.9
• 作者: Bistri, Donald;Di Leo, Claudio V.
• 通讯作者: Di Leo, Claudio V.

A thermodynamically consistent gradient theory for diffusion–reaction–deformation in solids: Application to conversion-type electrodes

• DOI: 10.1016/j.jmps.2021.104368
• 发表时间: 2021-06
• 期刊: Journal of The Mechanics and Physics of Solids
• 影响因子: 5.3
• 作者: Arman Afshar;Claudio V. Di Leo

Visualizing Chemomechanical Degradation of a Solid-State Battery Electrolyte

固态电池电解质化学机械降解的可视化

• DOI: 10.1021/acsenergylett.9b00816
• 发表时间: 2019
• 期刊: ACS Energy Letters
• 影响因子: 22
• 作者: Tippens, Jared;Miers, John C.;Afshar, Arman;Lewis, John A.;Cortes, Francisco Javier;Qiao, Haipeng;Marchese, Thomas S.;Di Leo, Claudio V.;Saldana, Christopher;McDowell, Matthew T.
• 通讯作者: McDowell, Matthew T.

Electrochemically reconfigurable architected materials

• DOI: 10.1038/s41586-019-1538-z
• 发表时间: 2019-09-12
• 期刊: NATURE
• 影响因子: 64.8
• 作者: Xia, Xiaoxing;Afshar, Arman;Greer, Julia R.
• 通讯作者: Greer, Julia R.