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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/11352
Title: Effect of silicon configurations on the mechanical integrity of silicon-carbon nanotube heterostructured anode for lithium ion battery: A computational study
Authors: Damle S.S.
Pal S.
Kumta P.N.
Maiti S.
Published in: Journal of Power Sources
Abstract: Heterostructures of silicon and carbon nanotubes (CNT) have been widely studied as Li-ion battery anodes. The focus of the current study is to investigate the role of silicon configurations on the mechanical integrity of the Si-CNT heterostructured anodes during electrochemical cycling. We hypothesize that void nucleation and growth in silicon during electrochemical cycling of Li can induce fracture and eventual failure. To test this hypothesis, we utilized a custom developed multiphysics finite element modeling framework considering the lithium diffusion induced elasto-plastic deformation of silicon. We systematically varied the silicon component configuration and enumerated the stress field within it for one complete electrochemical cycle. Resulting evolution of stress state reveals that reducing the mechanical constraints on Si reduces the plastic flow of the material, and thus possibility of void nucleation and growth. We find that the Si droplet configuration is mechanically stable while the continuous Si coating configuration is prone to void growth induced mechanical failure. Present analysis provides a mechanistic understanding of the effect of Si configurations in heterostructured electrodes on its mechanical integrity, which can help in design of next-generation hetersostructured electrodes with improved capacity retention. © 2015 Elsevier B.V. All rights reserved.
Citation: Journal of Power Sources (2016), 304(): 373-383
URI: https://doi.org/10.1016/j.jpowsour.2015.11.027
http://repository.iitr.ac.in/handle/123456789/11352
Issue Date: 2016
Publisher: Elsevier
Keywords: Li-ion battery
Mechanical integrity
Plastic deformation
Si-CNT heterostructured anode
Silicon
Void nucleation and growth
ISSN: 3787753
Author Scopus IDs: 55568706200
35321222100
55663968300
7202014965
Author Affiliations: Damle, S.S., Department of Chemical Engineering, University of PittsburghPA 15261, United States
Pal, S., Mechanical and Industrial Engineering Department, Indian Institute of Technology Roorkee, Roorkee, Uttrakhand 247667, India
Kumta, P.N., Department of Chemical Engineering, University of PittsburghPA 15261, United States, Department of Bioengineering, University of PittsburghPA 15261, United States, Center for Complex Engineered Multifunctional Materials, University of PittsburghPA 15261, United States, Department of Mechanical Engineering and Materials Science, University of PittsburghPA 15261, United States
Maiti, S., Department of Chemical Engineering, University of PittsburghPA 15261, United States, Department of Bioengineering, University of PittsburghPA 15261, United States, Center for Complex Engineered Multifunctional Materials, University of PittsburghPA 15261, United States
Funding Details: The authors would like to acknowledge the financial support from the US Department of Energy's Office of Vehicle Technologies BATT program (Contract DE-AC02-05CHI1231 ), sub contract 6151369, and the National Science Foundation ( CBET-0933141 ). PNK would also like to acknowledge the Edward R. Weidlein Chair Professorship Funds for partial support of this work. In addition, PNK and SM would like to thank the Center for Complex Engineered Multifunctional Materials (CCEMM), Swanson School of Engineering, University of Pittsburgh for providing a graduate fellowship as well as the instruments needed to procure the experimental data required for simulations reported in this work. Appendix A
Corresponding Author: Maiti, S.; Department of Chemical Engineering, University of PittsburghUnited States; email: spm54@pitt.edu
Appears in Collections:Journal Publications [ME]

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