Understanding the Impact of Mechanical Constraints on the Dendrite Formation in Lithium Metal Anodes

了解机械约束对锂金属阳极枝晶形成的影响

• 批准号: 1911836
• 负责人: Christian Linder
• 金额: $ 44.14万
• 依托单位: Stanford University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-01-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1911836&HistoricalAwards=false
• 关键词: Understanding; Impact; Mechanical; Constraints; Dendrite

Lithium metal is one of the most appealing anode materials for lithium-ion batteries due to its high specific capacity and its low density and negative electrochemical potential. Utilizing lithium metal in lithium/air or lithium/sulfur batteries can achieve a theoretical specific energy several times higher than in existing lithium-ion batteries, which could boost technology innovations of lithium-ion batteries based applications such as portable electronics, electric vehicles, and energy storage systems. However, dendritic lithium growth during charge/discharge cycles poses a major safety challenge to cells made with lithium metal anodes. In this project, dendritic lithium growth is suppressed by inserting an extra stiff layer in lithium-ion batteries acting as a mechanical constraint. The project will fundamentally improve the understanding of the relationship between mechanical deformation and lithium dendrite growth. New generation workforce will be trained in the use of state-of-art computational tools to conduct multidisciplinary research at the interface between computational mechanics and electrochemistry. New course contents on energy storage material properties and modeling aspects will be integrated into undergraduate and graduate courses and hands-on activities will be created to teach high school students various energy-related topics.The research goal of this project is to fundamentally understand the role of mechanical deformation on lithium dendrite formation using a new computational modeling framework. This framework includes a staggered optimization scheme to account for an evolving lithium anode geometry and various multiphysics effects during lithium dendrite formation under mechanical constraints. Resulting phase diagrams will provide experimentalists new insights on the dendrite behavior to tailor material properties and cell design to suppress dendrites. The research will untangle the complex coupling between electrochemical, thermal, and mechanical behaviors at dendrite interfaces. It will answer many fundamental questions such as whether or not dendrites will penetrate the separator by passing through its pores or by piercing it, how mechanics changes the electrochemical properties at the vicinity of dendrites, or how mechanics is changing dendrite morphologies. Ultimately, this work will provide feedback to experimentalists to engineer interface designs and structural designs for better and safer lithium metal anodes.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.

金属锂由于其高比容量、低密度和负电化学电势而成为锂离子电池最有吸引力的负极材料之一。在锂/空气或锂/硫电池中使用锂金属可以实现比现有锂离子电池高出数倍的理论比能量，这可以促进基于锂离子电池的应用（如便携式电子产品，电动汽车和储能系统）的技术创新。然而，在充电/放电循环期间的树枝状锂生长对用锂金属阳极制成的电池提出了主要的安全挑战。在这个项目中，通过在锂离子电池中插入一个额外的刚性层作为机械约束来抑制树枝状锂的生长。该项目将从根本上提高对机械变形和锂枝晶生长之间关系的理解。新一代劳动力将接受培训，使用最先进的计算工具，在计算力学和电化学之间的界面进行多学科研究。本项目将在本科生和研究生课程中加入储能材料特性和建模方面的新课程内容，并将创建实践活动，向高中生教授各种与能源相关的主题。本项目的研究目标是使用新的计算建模框架从根本上了解机械变形对锂枝晶形成的作用。该框架包括一个交错的优化方案，以考虑不断变化的锂阳极几何形状和各种多物理场效应在机械约束下的锂枝晶形成。所得的相图将提供实验人员对枝晶行为的新见解，以定制材料特性和单元设计来抑制枝晶。该研究将解开枝晶界面处电化学、热学和力学行为之间的复杂耦合。它将回答许多基本问题，如枝晶是否会通过穿过其孔隙或刺穿它来穿透隔膜，力学如何改变枝晶附近的电化学性质，或力学如何改变枝晶形态。最终，这项工作将为实验人员提供反馈，以设计界面设计和结构设计，从而获得更好、更安全的锂金属阳极。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

Understanding thermal and mechanical effects on lithium plating in lithium-ion batteries

• DOI: 10.1016/j.jpowsour.2022.231632
• 发表时间: 2022-09
• 期刊: Journal of Power Sources
• 影响因子: 9.2
• 作者: Yitao Qiu;Xiaoxuan Zhang;Camille Usubelli;Daniel Mayer;C. Linder;Jake Christensen

SenseNet: A Physics-Informed Deep Learning Model for Shape Sensing

• DOI: 10.1061/jenmdt.emeng-6901
• 发表时间: 2023-03
• 期刊: Journal of Engineering Mechanics
• 影响因子: 3.3
• 作者: Yitao Qiu;P. K. Arunachala;Christian Linder

A thermodynamically consistent finite strain phase field approach to ductile fracture considering multi-axial stress states

• DOI: 10.1016/j.cma.2022.115467
• 发表时间: 2022-10
• 期刊: Computer Methods in Applied Mechanics and Engineering
• 影响因子: 7.2
• 作者: Sina Abrari Vajari;M. Neuner;P. K. Arunachala;A. Ziccarelli;G. Deierlein;C. Linder

A multiscale phase field fracture approach based on the non-affine microsphere model for rubber-like materials

• DOI: 10.1016/j.cma.2023.115982
• 发表时间: 2023-05
• 期刊: Computer Methods in Applied Mechanics and Engineering
• 影响因子: 7.2
• 作者: P. K. Arunachala;Sina Abrari Vajari;M. Neuner;C. Linder